0 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 CC(=Cc1cncnc1)C#N 6a_100000749868_200000212204 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,0|1,0,3]=4 19 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,0|1,0,3]=4 20 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,0|1,0,3]=4 21 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,0|1,0,3]=4 22 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,0|2,0,2]=4 47 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,0|2,0,2]=4 48 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,0|2,0,2]=4 50 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,0|1,0,3]=4 56 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,0|1,0,3]=4 57 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,0|1,0,3]=4 58 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|0,0,1]=2 81 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.18 CC(=Cc1ccnnc1)C 271570a_100102525489_100000732662 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.18 CC(=Cc1cncnc1)C 271570a_100102525489_100011206942 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|0,0,1]=2 92 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|1,0,2]=4 110 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|1,0,2]=4 112 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|1,0,2]=4 113 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|1,0,2]=4 118 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|1,0,1]=3 120 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,0|0,0,2]=3 123 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,0|0,0,2]=3 124 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|1,0,2]=4 171 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|0,0,0]=1 194 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|0,0,2]=3 200 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|0,0,2]=3 201 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,0|1,0,2]=4 202 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|1,0,1]=3 203 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|1,0,1]=3 204 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|1,0,1]=3 207 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|1,0,1]=3 208 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|1,0,1]=3 217 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|1,0,1]=3 218 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|1,0,1]=3 219 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|0,0,2]=3 230 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,0|1,0,2]=4 231 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,0|1,0,1]=3 233 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|1,0,1]=3 235 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,0|1,0,1]=3 239 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,0|1,0,1]=3 240 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,0|1,0,0]=2 260 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|1,0,2]=4 263 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.49 CC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200000212204 [0,1,0,0,0,0|1,0,1]=3 286 B12R1.49 CC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200000212204 [0,1,0,0,0,0|1,0,1]=3 287 B12R1.49 CC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200000212204 [0,1,0,0,0,0|1,0,1]=3 288 B12R1.49 CC(=Cc1ccc(cn1)Br)C#N 6a_100000754260_200000212204 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.49 CC(=Cc1ccc(cn1)F)C#N 6a_100011934744_200000212204 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.49 N#CC(=Cc1ccc(cc1)Br)F 6a_100000186029_200000032654 [0,1,0,0,0,0|2,0,1]=4 291 B12R1.49 N#CC(=Cc1ccc(cc1)F)F 6a_100000210084_200000032654 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.49 N#CC(=Cc1ccc(cc1)I)F 6a_100000188517_200000032654 [0,1,0,0,0,0|2,0,1]=4 293 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.50 CC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200000212204 [0,1,0,0,0,0|1,0,1]=3 319 B12R1.50 CC(=Cc1cccc(c1)F)C#N 6a_100000210812_200000212204 [0,1,0,0,0,0|1,0,1]=3 320 B12R1.50 CC(=Cc1cccc(c1)I)C#N 6a_100000014684_200000212204 [0,1,0,0,0,0|1,0,1]=3 321 B12R1.50 CC(=Cc1cncc(c1)Br)C#N 6a_100000687066_200000212204 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.50 CC(=Cc1cncc(c1)C)C#N 6a_100011998712_200000212204 [0,1,0,0,0,0|2,0,1]=4 323 B12R1.50 CC(=Cc1cncc(c1)Cl)C#N 6a_100000088910_200000212204 [0,1,0,0,0,0|2,0,1]=4 324 B12R1.50 CC(=Cc1cncc(c1)F)C#N 6a_100011361476_200000212204 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.50 N#CC(=Cc1cccc(c1)Br)F 6a_100000210085_200000032654 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.50 N#CC(=Cc1cccc(c1)F)F 6a_100000210812_200000032654 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.50 N#CC(=Cc1cccc(c1)I)F 6a_100000014684_200000032654 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,0,0,0,0|1,0,2]=4 329 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,0,0,0,0|1,0,2]=4 330 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,0,0,0,0|1,0,2]=4 331 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,0,0,0,0|1,0,2]=4 332 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,0|2,0,1]=4 337 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,0,0|2,0,1]=4 352 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,0|3,0,0]=4 353 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,1,0,0|2,0,1]=4 354 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,0|1,0,1]=3 355 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,0|1,0,1]=3 356 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,1,0,0|2,0,1]=4 357 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,0|3,0,0]=4 358 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,0|2,0,0]=3 359 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,0|3,0,0]=4 360 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,0,0,1,0,0|3,0,0]=4 361 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,0,0,1,0,0|3,0,0]=4 362 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,0,0,1,0,0|3,0,0]=4 363 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,0,0,1,0,0|3,0,0]=4 364 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,0|2,0,0]=3 365 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,0|3,0,0]=4 366 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [0,0,0,1,0,0|3,0,0]=4 367 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,0,0,1,0,0|2,0,0]=3 368 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,0,0,1,0,0|2,0,0]=3 369 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,0,0,1,0,0|2,0,0]=3 370 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,0,1,0,0|3,0,0]=4 371 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,0,0,1,0,0|3,0,0]=4 372 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,0,0,1,0,0|3,0,0]=4 373 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,0,0,1,0,0|3,0,0]=4 374 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,0,0|3,0,0]=4 375 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,0,0|3,0,0]=4 376 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,0,0|3,0,0]=4 377 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,0,0|3,0,0]=4 378 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,0,0|3,0,0]=4 379 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,0,0|3,0,0]=4 380 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,1,0|2,0,1]=4 381 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,1,0|2,0,1]=4 382 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,1,0|2,0,1]=4 383 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,1,0|2,0,1]=4 384 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,1,0|2,0,1]=4 385 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,1,0|2,0,1]=4 386 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,1,0|2,0,1]=4 387 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,1,0|2,0,1]=4 388 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,1,0|2,0,1]=4 389 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,1,0|2,0,1]=4 390 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,1,0|2,0,1]=4 391 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,1,0|2,0,1]=4 392 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,1,0|2,0,1]=4 393 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,1,0|2,0,1]=4 394 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,1,0|3,0,0]=4 395 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,1,0|3,0,0]=4 396 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,1,0|3,0,0]=4 397 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,1,0|3,0,0]=4 398 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,1,0|2,0,1]=4 399 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,1,0|2,0,1]=4 400 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,1,0|2,0,1]=4 401 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,1,0|2,0,1]=4 402 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,1,0|2,0,1]=4 403 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,1,0|2,0,1]=4 404 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,1,0|2,0,1]=4 405 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,1,0|2,0,1]=4 406 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,1,0|2,0,1]=4 407 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,1,0|2,0,1]=4 408 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,1,0|2,0,1]=4 409 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,1,0|2,0,1]=4 410 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,1,0|2,0,1]=4 411 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,1,0|2,0,1]=4 412 B12R1.27 C#CC(=NNc1ccccc1)C 4a_100015195140_100000690481 [0,0,0,0,0,1|2,0,1]=4 413 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,0,0,0,1|2,0,0]=3 414 B12R1.27 C=CC(=NNc1ccccn1)C 4a_100000183288_200015361842 [0,0,0,0,0,1|3,0,0]=4 415 B12R1.27 C=CC(=NNc1cccnc1)C 4a_100000728903_200015361842 [0,0,0,0,0,1|3,0,0]=4 416 B12R1.27 C=CC(=NNc1ccncc1)C 4a_100000698918_200015361842 [0,0,0,0,0,1|3,0,0]=4 417 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,1|2,0,1]=4 420 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,1|3,0,0]=4 421 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,0,0,0,1|1,0,2]=4 422 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,0,0,0,1|1,0,2]=4 423 B12R1.27 CC(=NNc1ccccc1)CF 4a_100015195140_100000039719 [0,0,0,0,0,1|2,0,1]=4 424 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,0,0,0,0,1|1,0,2]=4 425 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,1|2,0,1]=4 426 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,1|3,0,0]=4 427 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,1|3,0,0]=4 428 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,1|2,0,1]=4 429 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [1,0,1,0,0,0|1,0,1]=4 430 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,1]=3 431 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [2,0,0,0,0,0|1,0,1]=4 432 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [2,0,0,0,0,0|1,0,1]=4 433 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,0]=2 435 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|1,0,0]=3 439 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,1]=4 445 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 446 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 447 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,1]=4 448 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,1]=4 449 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,1]=4 453 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 454 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,1]=4 455 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,1]=4 456 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 457 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,1]=4 458 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 459 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,1]=4 460 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 462 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 463 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 464 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 465 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,1]=4 467 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,2]=4 477 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|0,0,2]=4 512 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [1,1,0,0,0,0|1,0,1]=4 559 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,1,0,0,0,0|1,0,1]=4 562 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [1,1,0,0,0,0|1,0,1]=4 563 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,1]=4 565 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,1]=4 570 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,1,0,0,0,0|1,0,1]=4 576 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|0,0,2]=4 583 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|0,0,2]=4 584 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|0,0,2]=4 585 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|0,1,1]=4 586 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|0,1,1]=4 587 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|0,0,2]=4 588 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|0,0,2]=4 589 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 590 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 591 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,0,2]=4 592 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,0,2]=4 593 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|0,0,2]=4 596 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|0,1,1]=4 597 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|0,1,1]=4 598 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,1,0,0,0,0|0,0,2]=4 599 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,1,0,0,0,0|0,0,0]=2 600 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|0,0,2]=4 604 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|0,0,2]=4 605 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|1,0,1]=4 606 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,1,0,0,0,0|1,0,1]=4 607 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|1,0,1]=4 611 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|0,0,2]=4 614 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,1,0,0,0,0|1,0,1]=4 619 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,1,0,0,0,0|0,0,2]=4 624 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,1,0,0,0,0|0,0,0]=2 625 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|0,0,2]=4 629 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.20 CC(=Cc1cc[n+](cc1)[O-])C 271570a_100102525489_100000039755 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.20 CC(=Cc1ccc(=O)[nH]c1)C 271570a_100102525489_100000212171 [1,1,0,0,0,0|1,0,1]=4 633 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,0|0,0,1]=3 634 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|0,0,1]=3 635 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|0,0,1]=3 636 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,0|0,0,1]=3 637 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,0|0,0,1]=3 638 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|0,0,1]=3 639 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [1,1,0,0,0,0|1,0,1]=4 644 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.20 CC(=Cc1ccc(nc1)Br)C 271570a_100102525489_100009814638 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.20 CC(=Cc1ccc(nc1)Cl)C 271570a_100102525489_100000034144 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.20 CC(=Cc1ccc(nc1)F)C 271570a_100102525489_100000748661 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.20 CC(=Cc1ccc(nc1)N)C 271570a_100102525489_100000187370 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|0,0,1]=3 651 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|0,0,1]=3 652 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|0,0,1]=3 653 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|0,0,1]=3 654 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|0,0,1]=3 655 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|0,0,1]=3 656 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|0,0,1]=3 657 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|0,0,1]=3 658 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|0,0,1]=3 659 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|0,0,1]=3 660 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|0,0,1]=3 661 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|0,0,1]=3 662 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,0|1,0,1]=4 674 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|1,0,0]=3 688 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,1,0]=4 704 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|0,0,1]=3 705 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|0,0,1]=3 712 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|0,0,1]=3 713 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|0,0,1]=3 714 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|0,0,1]=3 715 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|0,0,1]=3 716 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|0,0,1]=3 724 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|0,0,1]=3 728 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|0,0,1]=3 730 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|0,0,1]=3 734 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|0,0,1]=3 735 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|1,0,1]=4 736 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|0,0,2]=4 737 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 741 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|0,0,1]=3 742 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|0,0,1]=3 743 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|0,0,1]=3 744 B11R1.86 CC(=Cc1c[nH]ccc1=O)C 271570a_100102525489_100009998708 [1,1,0,0,0,0|1,0,1]=4 745 B11R1.86 CC(=Cc1c[nH]ccc1=S)C 271570a_100102525489_200012280681 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.86 CC(=Cc1ccc[nH]c1=O)C 271570a_100102525489_100000050042 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,1,0,0,0,0|0,0,1]=3 750 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,1,0,0,0,0|0,0,1]=3 751 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,0|0,0,1]=3 752 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,1,0,0,0,0|0,0,1]=3 753 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,1,0,0,0,0|0,0,1]=3 754 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,0|0,0,1]=3 755 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [1,1,0,0,0,0|1,0,1]=4 758 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.86 CC(=Cc1ccncc1Br)C 271570a_100102525489_100000726257 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.86 CC(=Cc1ccncc1Cl)C 271570a_100102525489_100000708259 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.86 CC(=Cc1ccncc1F)C 271570a_100102525489_100000047030 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.86 CC(=Cc1ccncc1N)C 271570a_100102525489_100009815883 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [1,1,0,0,0,0|1,0,1]=4 773 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|0,0,1]=3 778 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|0,0,1]=3 779 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|0,0,1]=3 780 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|0,0,1]=3 781 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|0,0,1]=3 782 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|0,0,1]=3 783 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|0,0,1]=3 784 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|0,0,1]=3 785 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|0,0,1]=3 786 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|0,0,1]=3 787 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|0,0,1]=3 788 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|0,0,1]=3 789 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,0|1,0,0]=3 807 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,0|1,0,0]=3 822 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|0,0,1]=3 829 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,1,0,0,0,0|1,0,1]=4 830 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|0,0,1]=3 833 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|0,0,1]=3 834 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|0,0,1]=3 835 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|0,0,1]=3 836 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|0,0,1]=3 837 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [1,1,0,0,0,0|1,0,1]=4 845 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.157 CC(=Cc1cc[nH]c(=O)c1)C 271570a_100102525489_100009816521 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.157 CC(=Cc1ccc[n+](c1)[O-])C 271570a_100102525489_100009815978 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [1,1,0,0,0,0|1,0,1]=4 850 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [1,1,0,0,0,0|0,0,1]=3 851 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,1,0,0,0,0|0,0,1]=3 852 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [1,1,0,0,0,0|0,0,1]=3 853 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [1,1,0,0,0,0|0,0,1]=3 854 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,1,0,0,0,0|0,0,1]=3 855 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,1,0,0,0,0|0,0,1]=3 856 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [1,1,0,0,0,0|0,0,1]=3 857 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [1,1,0,0,0,0|1,0,1]=4 859 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [1,1,0,0,0,0|1,0,1]=4 861 B11R1.157 CC(=Cc1ccnc(c1)Br)C 271570a_100102525489_100009814637 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.157 CC(=Cc1ccnc(c1)C)C 271570a_100102525489_100000758586 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.157 CC(=Cc1ccnc(c1)Cl)C 271570a_100102525489_100000035001 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.157 CC(=Cc1ccnc(c1)F)C 271570a_100102525489_100009816116 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.157 CC(=Cc1ccnc(c1)N)C 271570a_100102525489_100000744379 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.157 CC(=Cc1cncc(c1)Br)C 271570a_100102525489_100000728054 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.157 CC(=Cc1cncc(c1)Cl)C 271570a_100102525489_100000049639 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.157 CC(=Cc1cncc(c1)F)C 271570a_100102525489_100000744099 [1,1,0,0,0,0|1,0,1]=4 870 B11R1.157 CC(=Cc1cncc(c1)N)C 271570a_100102525489_100000687067 [1,1,0,0,0,0|1,0,1]=4 871 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [1,1,0,0,0,0|1,0,1]=4 872 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,1,0,0,0,0|1,0,1]=4 873 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,1,0,0,0,0|1,0,1]=4 874 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,1,0,0,0,0|1,0,1]=4 875 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|0,0,1]=3 876 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|0,0,1]=3 877 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|0,0,1]=3 878 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|0,0,1]=3 879 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|0,0,1]=3 880 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|0,0,1]=3 881 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|0,0,1]=3 882 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|0,0,1]=3 883 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|0,0,1]=3 884 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|0,0,1]=3 885 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|0,0,1]=3 886 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|0,0,1]=3 887 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|0,0,1]=3 888 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,1,0,0,0,0|1,0,1]=4 889 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,1,0,0,0,0|1,0,1]=4 890 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,1,0,0,0,0|1,0,1]=4 891 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,1,0,0,0,0|1,0,1]=4 892 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,1,0,0,0,0|1,0,1]=4 893 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,1,0,0,0,0|1,0,1]=4 897 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,1,0,0,0,0|1,0,1]=4 898 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,1,0,0,0,0|1,0,1]=4 900 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,1,0,0,0,0|1,0,1]=4 901 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,1,0,0,0,0|1,0,1]=4 902 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,1,0,0,0,0|1,0,1]=4 903 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,1,0,0,0,0|1,0,1]=4 905 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,1,0,0,0,0|1,0,1]=4 906 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|1,0,0]=3 911 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|1,0,0]=3 912 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|1,0,0]=3 913 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|1,0,0]=3 915 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|1,0,0]=3 917 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|1,0,0]=3 918 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|1,0,0]=3 920 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|1,0,0]=3 921 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|1,0,0]=3 928 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|1,0,0]=3 929 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|0,0,1]=3 935 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,1,0,0,0,0|1,0,1]=4 936 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,1]=4 937 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|0,0,1]=3 939 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|0,0,1]=3 940 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|0,0,1]=3 941 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|0,0,1]=3 942 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|0,0,1]=3 943 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,1,0,0,0,0|1,0,1]=4 945 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,1,0,0,0,0|1,0,1]=4 946 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,1,0,0,0,0|1,0,1]=4 947 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,1,0,0,0,0|1,0,1]=4 948 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,1,0|1,0,1]=4 950 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 951 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 952 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 953 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 954 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,1,0|1,0,1]=4 955 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,1,0|1,0,1]=4 956 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,1,0|1,0,1]=4 957 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,1,0|1,0,1]=4 958 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,1,0|1,0,0]=3 959 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,1,0|1,0,0]=3 960 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,1,0|1,0,0]=3 961 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,1,0|1,0,0]=3 962 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.14 C=CC(=NNc1ccc(cc1)Br)C 4a_100000735608_200015361842 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.14 C=CC(=NNc1ccc(cc1)C)C 4a_100000683527_200015361842 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.14 C=CC(=NNc1ccc(cc1)Cl)C 4a_100000683521_200015361842 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.14 C=CC(=NNc1ccc(cc1)F)C 4a_100000728448_200015361842 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.14 C=CC(=NNc1ccc(cc1)I)C 4a_100016988836_200015361842 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.15 C=CC(=NNc1cccc(c1)Br)C 4a_100000217339_200015361842 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.15 C=CC(=NNc1cccc(c1)C)C 4a_100000681630_200015361842 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.15 C=CC(=NNc1cccc(c1)Cl)C 4a_100000184277_200015361842 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.15 C=CC(=NNc1cccc(c1)F)C 4a_100000745080_200015361842 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.15 C=CC(=NNc1cccc(c1)I)C 4a_100020605690_200015361842 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.42 CC=CC(=NNc1ccccc1)C 4a_100015195140_100011218416 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,1,0,0,0,1|1,0,1]=4 976 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,1,0,0,0,1|1,0,1]=4 977 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,1|1,0,0]=3 978 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccn1 1458a_100020587367_100000721315 [0,1,0,0,0,1|2,0,0]=4 979 B13R1.135 C/C=C(\C)/C(=O)Cc1cccnc1 1458a_100020587367_100000733263 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.135 C/C=C(\C)/C(=O)Cc1ccncc1 1458a_100020587367_100000705612 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,0,0,0,1|1,0,0]=3 982 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,0,0,0,1|1,0,0]=3 983 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,0,0,0,1|1,0,0]=3 984 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,1,0,0,0,1|1,0,1]=4 985 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [0,1,0,0,0,1|1,0,1]=4 986 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [0,1,0,0,0,1|1,0,1]=4 987 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [0,1,0,0,0,1|1,0,1]=4 988 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [0,1,0,0,0,1|1,0,1]=4 989 B13R1.351 C=C(C)C(=NNc1ccccc1)C 4a_100015195140_100011216138 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,1|1,0,1]=4 991 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,1|1,0,1]=4 992 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,1|1,0,1]=4 993 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,1|1,0,1]=4 994 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|0,0,2]=4 995 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,1|0,0,2]=4 996 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,1|0,0,2]=4 997 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,1|0,0,2]=4 998 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,1|0,0,2]=4 999 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,1|0,0,2]=4 1000 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,1|0,0,2]=4 1001 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,1|1,0,1]=4 1002 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,1|1,0,1]=4 1003 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,1|1,0,1]=4 1004 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,1|1,0,1]=4 1005 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,1|0,0,2]=4 1006 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|0,0,2]=4 1007 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,1|0,0,2]=4 1008 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,1|0,0,2]=4 1009 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,1|0,0,2]=4 1010 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,1|0,0,2]=4 1011 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,1|0,0,2]=4 1012 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,1|0,0,2]=4 1013 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,1|0,0,2]=4 1014 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,1|0,0,2]=4 1015 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,1|0,0,2]=4 1016 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,1|0,0,2]=4 1017 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,1|0,0,2]=4 1018 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,1|0,0,2]=4 1019 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|0,0,2]=4 1020 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,1|0,0,2]=4 1021 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,1|0,0,2]=4 1022 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,1,0,0,0,1|1,0,1]=4 1023 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.417 C=CC(=NNc1ccccc1)CC 4a_100015195140_100000747743 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.528 C=CC(=NNc1ccccc1Br)C 4a_100000241748_200015361842 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.528 C=CC(=NNc1ccccc1C)C 4a_100000184220_200015361842 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.528 C=CC(=NNc1ccccc1Cl)C 4a_100000683529_200015361842 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.528 C=CC(=NNc1ccccc1F)C 4a_100000239246_200015361842 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.528 C=CC(=NNc1ccccc1I)C 4a_100011218156_200015361842 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 2230a_100000180866_200015260668 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 269982a_100000180866_200015260668 [0,2,0,0,0,0|1,0,1]=4 1032 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 2230a_100000184517_200015260668 [0,2,0,0,0,0|1,0,1]=4 1033 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 269982a_100000184517_200015260668 [0,2,0,0,0,0|1,0,1]=4 1034 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 34a_100000184517_200009817547 [0,2,0,0,0,0|1,0,1]=4 1035 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 2230a_100000184576_200015260668 [0,2,0,0,0,0|1,0,1]=4 1036 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 269982a_100000184576_200015260668 [0,2,0,0,0,0|1,0,1]=4 1037 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 34a_100000184576_200009817547 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 2230a_100000207500_200015260668 [0,2,0,0,0,0|1,0,1]=4 1039 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 269982a_100000207500_200015260668 [0,2,0,0,0,0|1,0,1]=4 1040 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 2230a_100000744650_200015260668 [0,2,0,0,0,0|1,0,1]=4 1041 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 269982a_100000744650_200015260668 [0,2,0,0,0,0|1,0,1]=4 1042 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 34a_100000744650_200009817547 [0,2,0,0,0,0|1,0,1]=4 1043 B13R1.20 CN(CC=O)Cc1cccc(c1)Br 2230a_100000187585_200015260668 [0,2,0,0,0,0|1,0,1]=4 1044 B13R1.20 CN(CC=O)Cc1cccc(c1)Br 269982a_100000187585_200015260668 [0,2,0,0,0,0|1,0,1]=4 1045 B13R1.20 CN(CC=O)Cc1cccc(c1)Cl 2230a_100020629429_200015260668 [0,2,0,0,0,0|1,0,1]=4 1046 B13R1.20 CN(CC=O)Cc1cccc(c1)Cl 269982a_100020629429_200015260668 [0,2,0,0,0,0|1,0,1]=4 1047 B13R1.20 CN(CC=O)Cc1cccc(c1)F 2230a_100000184398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1048 B13R1.20 CN(CC=O)Cc1cccc(c1)F 269982a_100000184398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1049 B13R1.20 CN(CC=O)Cc1cccc(c1)F 34a_100000184398_200009817547 [0,2,0,0,0,0|1,0,1]=4 1050 B13R1.20 CN(CC=O)Cc1cccc(c1)O 2230a_100000207540_200015260668 [0,2,0,0,0,0|1,0,1]=4 1051 B13R1.20 CN(CC=O)Cc1cccc(c1)O 269982a_100000207540_200015260668 [0,2,0,0,0,0|1,0,1]=4 1052 B13R1.20 Cc1cccc(c1)CN(C)CC=O 2230a_102495364743_200015260668 [0,2,0,0,0,0|1,0,1]=4 1053 B13R1.20 Cc1cccc(c1)CN(C)CC=O 269982a_102495364743_200015260668 [0,2,0,0,0,0|1,0,1]=4 1054 B13R1.20 Cc1cccc(c1)CN(C)CC=O 34a_102495364743_200009817547 [0,2,0,0,0,0|1,0,1]=4 1055 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [0,2,0,0,0,0|0,0,2]=4 1056 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [0,2,0,0,0,0|0,0,2]=4 1057 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,2,0,0,0,0|0,0,2]=4 1058 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,2,0,0,0,0|0,0,2]=4 1059 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,2,0,0,0,0|0,0,2]=4 1060 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,2,0,0,0,0|0,0,2]=4 1061 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,2,0,0,0,0|0,0,2]=4 1062 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,2,0,0,0,0|0,0,2]=4 1063 B13R1.47 C=CCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000210623 [0,2,0,0,0,0|2,0,0]=4 1064 B13R1.47 C=CCN(C)C(=O)c1ccccc1 11a_100000225617_100000185807 [0,2,0,0,0,0|2,0,0]=4 1065 B13R1.47 C=CCN(C)C(=O)c1ccccc1 1626a_100000225617_100000185807 [0,2,0,0,0,0|2,0,0]=4 1066 B13R1.47 C=CCN(C)C(=O)c1ccccc1 240690a_100000225617_100000185807 [0,2,0,0,0,0|2,0,0]=4 1067 B13R1.47 C=CCN(C)C(=O)c1ccccc1 527a_100000225617_100000185807 [0,2,0,0,0,0|2,0,0]=4 1068 B13R1.47 CC(c1ccccc1)N(C)CC=O 2230a_100000195388_200015260668 [0,2,0,0,0,0|1,0,1]=4 1069 B13R1.47 CC(c1ccccc1)N(C)CC=O 269982a_100000195388_200015260668 [0,2,0,0,0,0|1,0,1]=4 1070 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [0,2,0,0,0,0|1,0,1]=4 1071 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [0,2,0,0,0,0|1,0,1]=4 1072 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,2,0,0,0,0|1,0,1]=4 1073 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,2,0,0,0,0|2,0,0]=4 1074 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,2,0,0,0,0|2,0,0]=4 1075 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,2,0,0,0,0|1,0,1]=4 1076 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,2,0,0,0,0|1,0,1]=4 1077 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,2,0,0,0,0|1,0,1]=4 1078 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,2,0,0,0,0|1,0,1]=4 1079 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,2,0,0,0,0|1,0,1]=4 1080 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,2,0,0,0,0|1,0,1]=4 1081 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,2,0,0,0,0|1,0,1]=4 1082 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,2,0,0,0,0|1,0,1]=4 1083 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,2,0,0,0,0|1,0,1]=4 1084 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,2,0,0,0,0|1,0,1]=4 1085 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,2,0,0,0,0|1,0,1]=4 1086 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,2,0,0,0,0|1,0,1]=4 1087 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,2,0,0,0,0|2,0,0]=4 1088 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,2,0,0,0,0|1,0,1]=4 1090 B13R1.470 CN(CC=O)Cc1ccccc1Br 2230a_100000184654_200015260668 [0,2,0,0,0,0|1,0,1]=4 1091 B13R1.470 CN(CC=O)Cc1ccccc1Br 269982a_100000184654_200015260668 [0,2,0,0,0,0|1,0,1]=4 1092 B13R1.470 CN(CC=O)Cc1ccccc1Cl 2230a_100000184507_200015260668 [0,2,0,0,0,0|1,0,1]=4 1093 B13R1.470 CN(CC=O)Cc1ccccc1Cl 269982a_100000184507_200015260668 [0,2,0,0,0,0|1,0,1]=4 1094 B13R1.470 CN(CC=O)Cc1ccccc1F 2230a_100000742528_200015260668 [0,2,0,0,0,0|1,0,1]=4 1095 B13R1.470 CN(CC=O)Cc1ccccc1F 269982a_100000742528_200015260668 [0,2,0,0,0,0|1,0,1]=4 1096 B13R1.470 CN(CC=O)Cc1ccccc1F 34a_100000742528_200009817547 [0,2,0,0,0,0|1,0,1]=4 1097 B13R1.470 CN(CC=O)Cc1ccccc1O 2230a_100015189988_200015260668 [0,2,0,0,0,0|1,0,1]=4 1098 B13R1.470 CN(CC=O)Cc1ccccc1O 269982a_100015189988_200015260668 [0,2,0,0,0,0|1,0,1]=4 1099 B13R1.470 Cc1ccccc1CN(C)CC=O 2230a_100000184421_200015260668 [0,2,0,0,0,0|1,0,1]=4 1100 B13R1.470 Cc1ccccc1CN(C)CC=O 269982a_100000184421_200015260668 [0,2,0,0,0,0|1,0,1]=4 1101 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,2,0,0,0,0|2,0,0]=4 1102 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,2,0,0,0,0|0,0,1]=3 1103 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,2,0,0,0,0|0,0,1]=3 1104 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,2,0,0,0,0|1,0,1]=4 1105 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,2,0,0,0,0|1,0,1]=4 1106 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,2,0,0,0,0|1,0,1]=4 1107 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,2,0,0,0,0|1,0,1]=4 1108 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,2,0,0,0,0|1,0,1]=4 1109 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,2,0,0,0,0|1,0,1]=4 1110 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,2,0,0,0,0|0,0,1]=3 1111 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,2,0,0,0,0|1,0,1]=4 1112 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,2,0,0,0,0|1,0,1]=4 1113 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,2,0,0,0,0|1,0,1]=4 1114 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,2,0,0,0,0|1,0,1]=4 1115 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,2,0,0,0,0|1,0,1]=4 1116 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,2,0,0,0,0|2,0,0]=4 1117 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,2,0,0,0,0|2,0,0]=4 1118 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,2,0,0,0,0|1,0,1]=4 1119 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,2,0,0,0,0|1,0,1]=4 1120 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,2,0,0,0,0|0,0,0]=2 1121 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,2,0,0,0,0|0,0,0]=2 1122 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,2,0,0,0,0|0,0,2]=4 1124 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,2,0,0,0,0|0,0,2]=4 1125 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,2,0,0,0,0|1,0,1]=4 1126 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,2,0,0,0,0|1,0,1]=4 1127 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,2,0,0,0,0|1,0,1]=4 1128 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,2,0,0,0,0|1,0,1]=4 1129 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,2,0,0,0,0|1,0,1]=4 1130 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,2,0,0,0,0|1,0,1]=4 1131 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,2,0,0,0,0|1,0,1]=4 1132 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,2,0,0,0,0|1,0,1]=4 1133 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,2,0,0,0,0|1,0,1]=4 1134 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,2,0,0,0,0|1,0,1]=4 1135 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,2,0,0,0,0|1,0,1]=4 1136 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,2,0,0,0,0|1,0,1]=4 1137 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,2,0,0,0,0|1,0,1]=4 1138 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,2,0,0,0,0|1,0,1]=4 1139 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,2,0,0,0,0|1,0,1]=4 1140 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,2,0,0,0,0|1,0,1]=4 1141 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,2,0,0,0,0|1,0,1]=4 1142 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,2,0,0,0,0|1,0,1]=4 1143 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,2,0,0,0,0|1,0,1]=4 1144 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,2,0,0,0,0|1,0,1]=4 1145 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,2,0,0,0,0|1,0,1]=4 1146 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,2,0,0,0,0|1,0,1]=4 1147 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,2,0,0,0,0|1,0,1]=4 1148 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,2,0,0,0,0|1,0,1]=4 1149 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,2,0,0,0,0|1,0,1]=4 1150 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,2,0,0,0,0|1,0,1]=4 1151 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,2,0,0,0,0|1,0,1]=4 1152 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,2,0,0,0,0|1,0,1]=4 1153 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,2,0,0,0,0|1,0,1]=4 1154 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,2,0,0,0,0|1,0,1]=4 1155 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,2,0,0,0,0|1,0,1]=4 1156 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,2,0,0,0,0|1,0,1]=4 1157 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,2,0,0,0,0|1,0,1]=4 1158 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,2,0,0,0,0|1,0,1]=4 1159 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,2,0,0,0,0|1,0,1]=4 1160 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,2,0,0,0,0|1,0,1]=4 1161 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,2,0,0,0,0|1,0,1]=4 1162 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,2,0,0,0,0|1,0,1]=4 1163 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,2,0,0,0,0|1,0,1]=4 1164 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,2,0,0,0,0|1,0,1]=4 1165 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,2,0,0,0,0|1,0,1]=4 1166 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,2,0,0,0,0|1,0,1]=4 1167 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,2,0,0,0,0|1,0,1]=4 1168 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,2,0,0,0,0|0,0,2]=4 1169 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,2,0,0,0,0|0,0,2]=4 1170 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,2,0,0,0,0|1,0,1]=4 1171 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,2,0,0,0,0|1,0,1]=4 1172 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,2,0,0,0,0|1,0,1]=4 1173 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,2,0,0,0,0|1,0,1]=4 1174 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,2,0,0,0,0|1,0,1]=4 1175 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,2,0,0,0,0|1,0,1]=4 1176 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,2,0,0,0,0|1,0,1]=4 1177 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,2,0,0,0,0|1,0,1]=4 1178 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,2,0,0,0,0|1,0,1]=4 1179 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,2,0,0,0,0|1,0,1]=4 1180 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,2,0,0,0,0|1,0,1]=4 1181 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,2,0,0,0,0|1,0,1]=4 1182 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,2,0,0,0,0|1,0,1]=4 1183 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,2,0,0,0,0|1,0,1]=4 1184 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,2,0,0,0,0|1,0,1]=4 1185 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,2,0,0,0,0|1,0,1]=4 1186 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,2,0,0,0,0|1,0,1]=4 1187 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,2,0,0,0,0|1,0,1]=4 1188 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,2,0,0,0,0|1,0,1]=4 1189 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,2,0,0,0,0|1,0,1]=4 1190 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,2,0,0,0,0|1,0,1]=4 1191 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,2,0,0,0,0|1,0,1]=4 1192 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,2,0,0,0,0|1,0,1]=4 1193 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,2,0,0,0,0|1,0,1]=4 1194 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,2,0,0,0,0|1,0,1]=4 1195 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,2,0,0,0,0|1,0,1]=4 1196 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,2,0,0,0,0|1,0,1]=4 1197 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,2,0,0,0,0|1,0,1]=4 1198 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,2,0,0,0,0|1,0,1]=4 1199 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,2,0,0,0,0|1,0,1]=4 1200 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,2,0,0,0,0|1,0,1]=4 1201 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,2,0,0,0,0|2,0,0]=4 1202 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,2,0,0,0,0|2,0,0]=4 1203 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,2,0,0,0,0|1,0,1]=4 1204 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,2,0,0,0,0|1,0,1]=4 1205 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,2,0,0,0,0|1,0,1]=4 1206 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,2,0,0,0,0|1,0,1]=4 1207 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,2,0,0,0,0|1,0,1]=4 1208 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,2,0,0,0,0|1,0,1]=4 1209 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,2,0,0,0,0|1,0,1]=4 1210 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,2,0,0,0,0|2,0,0]=4 1211 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,2,0,0,0,0|2,0,0]=4 1212 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,2,0,0,0,0|2,0,0]=4 1213 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,2,0,0,0,0|2,0,0]=4 1214 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,2,0,0,0,0|2,0,0]=4 1215 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,2,0,0,0,0|2,0,0]=4 1217 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,2,0,0,0,0|1,0,1]=4 1218 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,2,0,0,0,0|1,0,1]=4 1219 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,2,0,0,0,0|1,0,1]=4 1220 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,2,0,0,0,0|1,0,1]=4 1221 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,2,0,0,0,0|1,0,1]=4 1222 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,2,0,0,0,0|1,0,1]=4 1223 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,2,0,0,0,0|1,0,1]=4 1224 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,2,0,0,0,0|1,0,1]=4 1225 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,2,0,0,0,0|1,0,1]=4 1226 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,2,0,0,0,0|1,0,1]=4 1227 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,2,0,0,0,0|1,0,1]=4 1228 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,2,0,0,0,0|1,0,1]=4 1229 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,2,0,0,0,0|1,0,1]=4 1230 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,2,0,0,0,0|1,0,1]=4 1231 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,2,0,0,0,0|1,0,1]=4 1232 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,2,0,0,0,0|1,0,1]=4 1233 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,2,0,0,0,0|1,0,1]=4 1234 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,2,0,0,0,0|1,0,1]=4 1235 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,2,0,0,0,0|1,0,1]=4 1236 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,2,0,0,0,0|1,0,1]=4 1237 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,2,0,0,0,0|1,0,1]=4 1238 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,2,0,0,0,0|1,0,1]=4 1239 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,2,0,0,0,0|1,0,1]=4 1240 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,2,0,0,0,0|1,0,1]=4 1241 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,2,0,0,0,0|1,0,1]=4 1242 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,2,0,0,0,0|1,0,1]=4 1243 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,2,0,0,0,0|1,0,1]=4 1244 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,2,0,0,0,0|1,0,1]=4 1245 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,2,0,0,0,0|1,0,1]=4 1246 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,2,0,0,0,0|1,0,1]=4 1247 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1248 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1249 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,2,0,0,0,0|1,0,1]=4 1250 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,2,0,0,0,0|1,0,1]=4 1251 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1252 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1253 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1254 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,2,0,0,0,0|1,0,1]=4 1255 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,2,0,0,0,0|1,0,1]=4 1256 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,2,0,0,0,0|1,0,1]=4 1257 B13R1.148 CC(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702099 [0,2,0,0,0,0|1,0,1]=4 1258 B13R1.148 CC(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702099 [0,2,0,0,0,0|1,0,1]=4 1259 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,2,0,0,0,0|1,0,1]=4 1260 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [0,2,0,0,0,0|1,0,1]=4 1261 B13R1.148 CC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702099 [0,2,0,0,0,0|1,0,1]=4 1262 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,2,0,0,0,0|1,0,1]=4 1263 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,2,0,0,0,0|1,0,1]=4 1264 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,2,0,0,0,0|1,0,1]=4 1265 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,2,0,0,0,0|1,0,1]=4 1266 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,2,0,0,0,0|1,0,1]=4 1268 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,2,0,0,0,0|1,0,1]=4 1269 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,2,0,0,0,0|1,0,1]=4 1270 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,2,0,0,0,0|1,0,1]=4 1271 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,2,0,0,0,0|1,0,1]=4 1272 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,2,0,0,0,0|1,0,1]=4 1273 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,2,0,0,0,0|1,0,1]=4 1274 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702099 [0,2,0,0,0,0|1,0,1]=4 1275 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000702099_100000691529 [0,2,0,0,0,0|1,0,1]=4 1276 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702099 [0,2,0,0,0,0|1,0,1]=4 1277 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000699651 [0,2,0,0,0,0|1,0,1]=4 1278 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,2,0,0,0,0|1,0,1]=4 1279 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,2,0,0,0,0|1,0,1]=4 1280 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702099 [0,2,0,0,0,0|1,0,1]=4 1281 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000702099_100000210019 [0,2,0,0,0,0|1,0,1]=4 1282 B13R1.148 CC(Sc1cccc(c1)O)C(=O)N 62a_100000702099_100000211634 [0,2,0,0,0,0|1,0,1]=4 1283 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_100000702099_114929384022 [0,2,0,0,0,0|1,0,1]=4 1284 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702099 [0,2,0,0,0,0|1,0,1]=4 1285 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,2,0,0,0,0|1,0,1]=4 1287 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,2,0,0,0,0|1,0,1]=4 1288 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,2,0,0,0,0|1,0,1]=4 1289 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,2,0,0,0,0|1,0,1]=4 1290 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,2,0,0,0,0|1,0,1]=4 1291 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,2,0,0,0,0|1,0,1]=4 1292 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,2,0,0,0,0|1,0,1]=4 1293 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,2,0,0,0,0|0,0,0]=2 1301 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,2,0,0,0,0|0,0,0]=2 1302 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1305 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,2,0,0,0,0|1,0,1]=4 1306 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,2,0,0,0,0|1,0,1]=4 1307 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,2,0,0,0,0|1,0,1]=4 1308 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,2,0,0,0,0|1,0,1]=4 1310 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,2,0,0,0,0|1,0,1]=4 1311 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,2,0,0,0,0|1,0,1]=4 1312 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,2,0,0,0,0|1,0,1]=4 1313 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,2,0,0,0,0|1,0,1]=4 1314 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,2,0,0,0,0|1,0,1]=4 1315 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,2,0,0,0,0|1,0,1]=4 1316 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,2,0,0,0,0|1,0,1]=4 1317 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1319 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,2,0,0,0,0|1,0,1]=4 1321 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,2,0,0,0,0|1,0,1]=4 1322 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,2,0,0,0,0|1,0,1]=4 1325 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,2,0,0,0,0|1,0,1]=4 1326 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,2,0,0,0,0|1,0,1]=4 1327 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,2,0,0,0,0|1,0,1]=4 1328 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,2,0,0,0,0|1,0,1]=4 1330 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,2,0,0,0,0|1,0,1]=4 1331 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,2,0,0,0,0|1,0,1]=4 1333 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,2,0,0,0,0|1,0,1]=4 1339 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,2,0,0,0,0|1,0,1]=4 1340 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,2,0,0,0,0|1,0,1]=4 1341 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,2,0,0,0,0|1,0,1]=4 1342 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,2,0,0,0,0|1,0,1]=4 1343 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,2,0,0,0,0|1,0,1]=4 1344 B13R1.202 CC(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702099 [0,2,0,0,0,0|1,0,1]=4 1345 B13R1.202 CC(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702099 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.202 CC(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702099 [0,2,0,0,0,0|1,0,1]=4 1347 B13R1.202 CC(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702099 [0,2,0,0,0,0|1,0,1]=4 1348 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,2,0,0,0,0|1,0,1]=4 1349 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [0,2,0,0,0,0|1,0,1]=4 1350 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [0,2,0,0,0,0|1,0,1]=4 1351 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1352 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [0,2,0,0,0,0|1,0,1]=4 1353 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [0,2,0,0,0,0|1,0,1]=4 1354 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,2,0,0,0,0|1,0,1]=4 1355 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [0,2,0,0,0,0|1,0,1]=4 1356 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [0,2,0,0,0,0|1,0,1]=4 1357 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,2,0,0,0,0|1,0,1]=4 1358 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [0,2,0,0,0,0|1,0,1]=4 1360 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [0,2,0,0,0,0|1,0,1]=4 1361 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [0,2,0,0,0,0|1,0,1]=4 1362 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,2,0,0,0,0|1,0,1]=4 1363 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000695589_100000702099 [0,2,0,0,0,0|1,0,1]=4 1364 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000702099_100000695589 [0,2,0,0,0,0|1,0,1]=4 1365 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000702099_100000764095 [0,2,0,0,0,0|1,0,1]=4 1366 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000764095_100000702099 [0,2,0,0,0,0|1,0,1]=4 1367 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1368 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100000702099_100011215700 [0,2,0,0,0,0|1,0,1]=4 1369 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100011215700_100000702099 [0,2,0,0,0,0|1,0,1]=4 1370 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000210017_100000702099 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000702099_100000210017 [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,2,0,0,0,0|1,0,1]=4 1373 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,2,0,0,0,0|1,0,1]=4 1374 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [0,2,0,0,0,0|1,0,1]=4 1377 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [0,2,0,0,0,0|1,0,1]=4 1378 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [0,2,0,0,0,0|1,0,1]=4 1379 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,2,0,0,0,0|1,0,1]=4 1380 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000210755_100000702099 [0,2,0,0,0,0|1,0,1]=4 1381 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210755 [0,2,0,0,0,0|1,0,1]=4 1382 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,2,0,0,0,0|0,0,1]=3 1387 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,2,0,0,0,0|1,0,1]=4 1388 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,2,0,0,0,0|1,0,1]=4 1389 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,2,0,0,0,0|1,0,1]=4 1390 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,2,0,0,0,0|1,0,1]=4 1391 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,2,0,0,0,0|1,0,1]=4 1392 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,2,0,0,0,0|1,0,1]=4 1393 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,2,0,0,0,0|1,0,1]=4 1394 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,2,0,0,0,0|1,0,1]=4 1395 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,2,0,0,0,0|1,0,1]=4 1396 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,2,0,0,0,0|1,0,1]=4 1397 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,2,0,0,0,0|1,0,1]=4 1398 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,2,0,0,0,0|1,0,1]=4 1399 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,2,0,0,0,0|1,0,1]=4 1400 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,2,0,0,0,0|0,0,2]=4 1401 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,2,0,0,0,0|0,0,2]=4 1402 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,2,0,0,0,0|0,0,1]=3 1403 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,2,0,0,0,0|0,0,2]=4 1404 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,2,0,0,0,0|0,0,2]=4 1405 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,2,0,0,0,0|0,0,2]=4 1406 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,2,0,0,0,0|1,0,1]=4 1407 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,2,0,0,0,0|1,0,1]=4 1408 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,2,0,0,0,0|1,0,1]=4 1409 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,2,0,0,0,0|1,0,1]=4 1410 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,2,0,0,0,0|0,0,2]=4 1411 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)N 34a_100000106764_100000702505 [0,2,0,0,0,0|1,0,1]=4 1412 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,2,0,0,0,0|1,0,1]=4 1413 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,2,0,0,0,0|1,0,1]=4 1414 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,2,0,0,0,0|1,0,1]=4 1415 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000702505_100000041952 [0,2,0,0,0,0|1,0,1]=4 1416 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000719477_100000702505 [0,2,0,0,0,0|1,0,1]=4 1417 B13R1.145 CCC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_100011193412 [0,2,0,0,0,0|1,0,1]=4 1418 B13R1.145 CCC(=Cc1ccc(cc1)F)C#N 6a_100000210084_100011193412 [0,2,0,0,0,0|1,0,1]=4 1419 B13R1.145 CCC(=Cc1ccc(cc1)I)C#N 6a_100000188517_100011193412 [0,2,0,0,0,0|1,0,1]=4 1420 B13R1.145 N#CC(=Cc1ccc(cc1)Br)CBr 6a_100000186029_100011215226 [0,2,0,0,0,0|1,0,1]=4 1421 B13R1.145 N#CC(=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000184422 [0,2,0,0,0,0|1,0,1]=4 1422 B13R1.145 N#CC(=Cc1ccc(cc1)F)CBr 6a_100000210084_100011215226 [0,2,0,0,0,0|1,0,1]=4 1423 B13R1.145 N#CC(=Cc1ccc(cc1)F)CCl 6a_100000210084_100000184422 [0,2,0,0,0,0|1,0,1]=4 1424 B13R1.145 N#CC(=Cc1ccc(cc1)I)CBr 6a_100000188517_100011215226 [0,2,0,0,0,0|1,0,1]=4 1425 B13R1.145 N#CC(=Cc1ccc(cc1)I)CCl 6a_100000188517_100000184422 [0,2,0,0,0,0|1,0,1]=4 1426 B13R1.2679 CC(=Cc1ccc(cc1Br)I)C#N 6a_100010185650_200000212204 [0,2,0,0,0,0|1,0,1]=4 1427 B13R1.2679 CC(=Cc1ccc(cc1Cl)I)C#N 6a_100000727542_200000212204 [0,2,0,0,0,0|1,0,1]=4 1428 B13R1.2679 CC(=Cc1ccc(cc1F)Br)C#N 6a_100000211676_200000212204 [0,2,0,0,0,0|1,0,1]=4 1429 B13R1.2679 CC(=Cc1ccc(cc1F)C)C#N 6a_100011217368_200000212204 [0,2,0,0,0,0|1,0,1]=4 1430 B13R1.2679 CC(=Cc1ccc(cc1F)F)C#N 6a_100000211964_200000212204 [0,2,0,0,0,0|1,0,1]=4 1431 B13R1.2679 CC(=Cc1ccc(cc1F)I)C#N 6a_100000050965_200000212204 [0,2,0,0,0,0|1,0,1]=4 1432 B13R1.2679 CC(=Cc1ccc(cc1I)Br)C#N 6a_100010146562_200000212204 [0,2,0,0,0,0|1,0,1]=4 1433 B13R1.2679 CC(=Cc1ccc(cc1I)C)C#N 6a_100010150104_200000212204 [0,2,0,0,0,0|1,0,1]=4 1434 B13R1.2679 CC(=Cc1ccc(cc1I)F)C#N 6a_100010254405_200000212204 [0,2,0,0,0,0|1,0,1]=4 1435 B13R1.2679 CC(=Cc1ccc(cc1I)O)C#N 6a_100000051608_200000212204 [0,2,0,0,0,0|1,0,1]=4 1436 B13R1.2679 CC(=Cc1ccc(cc1O)I)C#N 6a_100000050530_200000212204 [0,2,0,0,0,0|1,0,1]=4 1437 B13R1.2879 CC(=Cc1ccc(c(c1)Br)Cl)C#N 6a_100000693810_200000212204 [0,2,0,0,0,0|1,0,1]=4 1438 B13R1.2879 CC(=Cc1ccc(c(c1)Br)F)C#N 6a_100000211747_200000212204 [0,2,0,0,0,0|1,0,1]=4 1439 B13R1.2879 CC(=Cc1ccc(c(c1)C)C)C#N 6a_100000229942_200000212204 [0,2,0,0,0,0|1,0,1]=4 1440 B13R1.2879 CC(=Cc1ccc(c(c1)C)Cl)C#N 6a_100000698814_200000212204 [0,2,0,0,0,0|1,0,1]=4 1441 B13R1.2879 CC(=Cc1ccc(c(c1)C)F)C#N 6a_100000748208_200000212204 [0,2,0,0,0,0|1,0,1]=4 1442 B13R1.2879 CC(=Cc1ccc(c(c1)Cl)C)C#N 6a_100000760539_200000212204 [0,2,0,0,0,0|1,0,1]=4 1443 B13R1.2879 CC(=Cc1ccc(c(c1)Cl)Cl)C#N 6a_100000188533_200000212204 [0,2,0,0,0,0|1,0,1]=4 1444 B13R1.2879 CC(=Cc1ccc(c(c1)Cl)F)C#N 6a_100000742290_200000212204 [0,2,0,0,0,0|1,0,1]=4 1445 B13R1.2879 CC(=Cc1ccc(c(c1)Cl)O)C#N 6a_100000186751_200000212204 [0,2,0,0,0,0|1,0,1]=4 1446 B13R1.2879 CC(=Cc1ccc(c(c1)F)Br)C#N 6a_100000686674_200000212204 [0,2,0,0,0,0|1,0,1]=4 1447 B13R1.2879 CC(=Cc1ccc(c(c1)F)C)C#N 6a_100000753222_200000212204 [0,2,0,0,0,0|1,0,1]=4 1448 B13R1.2879 CC(=Cc1ccc(c(c1)F)Cl)C#N 6a_100000745630_200000212204 [0,2,0,0,0,0|1,0,1]=4 1449 B13R1.2879 CC(=Cc1ccc(c(c1)F)F)C#N 6a_100000211062_200000212204 [0,2,0,0,0,0|1,0,1]=4 1450 B13R1.2879 CC(=Cc1ccc(c(c1)F)I)C#N 6a_100000050832_200000212204 [0,2,0,0,0,0|1,0,1]=4 1451 B13R1.2879 CC(=Cc1ccc(c(c1)F)O)C#N 6a_100000742332_200000212204 [0,2,0,0,0,0|1,0,1]=4 1452 B13R1.2879 CC(=Cc1ccc(c(c1)I)Br)C#N 6a_100010146563_200000212204 [0,2,0,0,0,0|1,0,1]=4 1453 B13R1.2879 CC(=Cc1ccc(c(c1)I)C)C#N 6a_100010197721_200000212204 [0,2,0,0,0,0|1,0,1]=4 1454 B13R1.2879 CC(=Cc1ccc(c(c1)I)Cl)C#N 6a_100010209939_200000212204 [0,2,0,0,0,0|1,0,1]=4 1455 B13R1.2879 CC(=Cc1ccc(c(c1)I)F)C#N 6a_100010188209_200000212204 [0,2,0,0,0,0|1,0,1]=4 1456 B13R1.2879 CC(=Cc1ccc(c(c1)I)O)C#N 6a_100000186752_200000212204 [0,2,0,0,0,0|1,0,1]=4 1457 B13R1.2879 CC(=Cc1ccc(c(c1)O)Cl)C#N 6a_100009876013_200000212204 [0,2,0,0,0,0|1,0,1]=4 1458 B13R1.2879 CC(=Cc1ccc(c(c1)O)F)C#N 6a_100000102368_200000212204 [0,2,0,0,0,0|1,0,1]=4 1459 B13R1.2879 CC(=Cc1ccc(c(c1)O)I)C#N 6a_100000041418_200000212204 [0,2,0,0,0,0|1,0,1]=4 1460 B13R1.40 CC(=Cc1cccc(c1F)F)C#N 6a_100000753312_200000212204 [0,2,0,0,0,0|1,0,1]=4 1461 B13R1.40 CC(=Cc1cccc(c1F)I)C#N 6a_100010202174_200000212204 [0,2,0,0,0,0|1,0,1]=4 1462 B13R1.40 CC(=Cc1cccc(c1I)F)C#N 6a_100010186293_200000212204 [0,2,0,0,0,0|1,0,1]=4 1463 B13R1.146 CCC(=Cc1cccc(c1)Br)C#N 6a_100000210085_100011193412 [0,2,0,0,0,0|1,0,1]=4 1464 B13R1.146 CCC(=Cc1cccc(c1)F)C#N 6a_100000210812_100011193412 [0,2,0,0,0,0|1,0,1]=4 1465 B13R1.146 CCC(=Cc1cccc(c1)I)C#N 6a_100000014684_100011193412 [0,2,0,0,0,0|1,0,1]=4 1466 B13R1.146 N#CC(=Cc1cccc(c1)Br)CBr 6a_100000210085_100011215226 [0,2,0,0,0,0|1,0,1]=4 1467 B13R1.146 N#CC(=Cc1cccc(c1)Br)CCl 6a_100000210085_100000184422 [0,2,0,0,0,0|1,0,1]=4 1468 B13R1.146 N#CC(=Cc1cccc(c1)F)CBr 6a_100000210812_100011215226 [0,2,0,0,0,0|1,0,1]=4 1469 B13R1.146 N#CC(=Cc1cccc(c1)F)CCl 6a_100000210812_100000184422 [0,2,0,0,0,0|1,0,1]=4 1470 B13R1.146 N#CC(=Cc1cccc(c1)I)CBr 6a_100000014684_100011215226 [0,2,0,0,0,0|1,0,1]=4 1471 B13R1.146 N#CC(=Cc1cccc(c1)I)CCl 6a_100000014684_100000184422 [0,2,0,0,0,0|1,0,1]=4 1472 B13R1.2872 CC(=Cc1cc(ccc1Br)I)C#N 6a_100010185652_200000212204 [0,2,0,0,0,0|1,0,1]=4 1473 B13R1.2872 CC(=Cc1cc(ccc1Cl)I)C#N 6a_100010254384_200000212204 [0,2,0,0,0,0|1,0,1]=4 1474 B13R1.2872 CC(=Cc1cc(ccc1F)Br)C#N 6a_100000211465_200000212204 [0,2,0,0,0,0|1,0,1]=4 1475 B13R1.2872 CC(=Cc1cc(ccc1F)C)C#N 6a_100000756917_200000212204 [0,2,0,0,0,0|1,0,1]=4 1476 B13R1.2872 CC(=Cc1cc(ccc1F)Cl)C#N 6a_100000745245_200000212204 [0,2,0,0,0,0|1,0,1]=4 1477 B13R1.2872 CC(=Cc1cc(ccc1F)F)C#N 6a_100000740046_200000212204 [0,2,0,0,0,0|1,0,1]=4 1478 B13R1.2872 CC(=Cc1cc(ccc1F)I)C#N 6a_100000050626_200000212204 [0,2,0,0,0,0|1,0,1]=4 1479 B13R1.2872 CC(=Cc1cc(ccc1I)Br)C#N 6a_100010185651_200000212204 [0,2,0,0,0,0|1,0,1]=4 1480 B13R1.2872 CC(=Cc1cc(ccc1I)C)C#N 6a_100010150105_200000212204 [0,2,0,0,0,0|1,0,1]=4 1481 B13R1.2872 CC(=Cc1cc(ccc1I)Cl)C#N 6a_100010254386_200000212204 [0,2,0,0,0,0|1,0,1]=4 1482 B13R1.2872 CC(=Cc1cc(ccc1I)F)C#N 6a_100010186294_200000212204 [0,2,0,0,0,0|1,0,1]=4 1483 B13R1.2872 CC(=Cc1cc(ccc1I)O)C#N 6a_100000069132_200000212204 [0,2,0,0,0,0|1,0,1]=4 1484 B13R1.2872 CC(=Cc1cc(ccc1O)I)C#N 6a_100011215628_200000212204 [0,2,0,0,0,0|1,0,1]=4 1485 B13R1.2874 CC(=Cc1cc(cc(c1)Br)Br)C#N 6a_100000719502_200000212204 [0,2,0,0,0,0|1,0,1]=4 1486 B13R1.2874 CC(=Cc1cc(cc(c1)Br)C)C#N 6a_100000686105_200000212204 [0,2,0,0,0,0|1,0,1]=4 1487 B13R1.2874 CC(=Cc1cc(cc(c1)Br)Cl)C#N 6a_100011934515_200000212204 [0,2,0,0,0,0|1,0,1]=4 1488 B13R1.2874 CC(=Cc1cc(cc(c1)Br)F)C#N 6a_100011794424_200000212204 [0,2,0,0,0,0|1,0,1]=4 1489 B13R1.2874 CC(=Cc1cc(cc(c1)Br)O)C#N 6a_100010176088_200000212204 [0,2,0,0,0,0|1,0,1]=4 1490 B13R1.2874 CC(=Cc1cc(cc(c1)C)C)C#N 6a_100000745632_200000212204 [0,2,0,0,0,0|1,0,1]=4 1491 B13R1.2874 CC(=Cc1cc(cc(c1)Cl)C)C#N 6a_100000684525_200000212204 [0,2,0,0,0,0|1,0,1]=4 1492 B13R1.2874 CC(=Cc1cc(cc(c1)Cl)Cl)C#N 6a_100000741761_200000212204 [0,2,0,0,0,0|1,0,1]=4 1493 B13R1.2874 CC(=Cc1cc(cc(c1)Cl)F)C#N 6a_100000703917_200000212204 [0,2,0,0,0,0|1,0,1]=4 1494 B13R1.2874 CC(=Cc1cc(cc(c1)Cl)O)C#N 6a_100000050827_200000212204 [0,2,0,0,0,0|1,0,1]=4 1495 B13R1.2874 CC(=Cc1cc(cc(c1)F)C)C#N 6a_100011217087_200000212204 [0,2,0,0,0,0|1,0,1]=4 1496 B13R1.2874 CC(=Cc1cc(cc(c1)F)F)C#N 6a_100000743029_200000212204 [0,2,0,0,0,0|1,0,1]=4 1497 B13R1.2874 CC(=Cc1cc(cc(c1)F)O)C#N 6a_100000703664_200000212204 [0,2,0,0,0,0|1,0,1]=4 1498 B13R1.2874 CC(=Cc1cc(cc(c1)I)Br)C#N 6a_100010185649_200000212204 [0,2,0,0,0,0|1,0,1]=4 1499 B13R1.2874 CC(=Cc1cc(cc(c1)I)F)C#N 6a_100010185655_200000212204 [0,2,0,0,0,0|1,0,1]=4 1500 B13R1.2874 CC(=Cc1cc(cc(c1)I)I)C#N 6a_100010185653_200000212204 [0,2,0,0,0,0|1,0,1]=4 1501 B13R1.2874 CC(=Cc1cc(cc(c1)O)C)C#N 6a_100009853434_200000212204 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.2874 CC(=Cc1cc(cc(c1)O)O)C#N 6a_100000043415_200000212204 [0,2,0,0,0,0|1,0,1]=4 1503 B13R1.4928 CC(=Cc1c(cccc1I)F)C#N 6a_100010178011_200000212204 [0,2,0,0,0,0|1,0,1]=4 1504 B11R1.8 C=Cc1cc(cc(c1C)C)N 271570a_100011290941_100010368239 [0,0,1,1,0,0|2,0,0]=4 1505 B11R1.8 C=Cc1cc(cc(c1C)C)O 271570a_100011290941_100010068915 [0,0,1,1,0,0|2,0,0]=4 1506 B11R1.8 C=Cc1cc(cc(c1F)C)C 271570a_100011290941_200010204574 [0,0,1,1,0,0|1,0,1]=4 1507 B11R1.8 C=Cc1cc(cc(c1F)C)F 271570a_100011290941_100010291795 [0,0,1,1,0,0|2,0,0]=4 1508 B11R1.8 C=Cc1cc(cc(c1N)C)Br 271570a_100011290941_200000690823 [0,0,1,1,0,0|2,0,0]=4 1509 B11R1.8 C=Cc1cc(cc(c1N)C)C 271570a_100011290941_100000688863 [0,0,1,1,0,0|1,0,1]=4 1510 B11R1.8 C=Cc1cc(cc(c1N)C)Cl 271570a_100011290941_100012344046 [0,0,1,1,0,0|2,0,0]=4 1511 B11R1.8 C=Cc1cc(cc(c1N)C)F 271570a_100011290941_100011216670 [0,0,1,1,0,0|2,0,0]=4 1512 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [0,0,1,1,0,0|0,0,2]=4 1513 B11R1.8 C=Cc1cc(cc(c1O)C)Cl 271570a_100011290941_100012343667 [0,0,1,1,0,0|1,0,1]=4 1514 B11R1.8 C=Cc1cc(cc(c1O)C)N 271570a_100011290941_100010064301 [0,0,1,1,0,0|1,0,1]=4 1515 B11R1.8 C=Cc1cc(cn(c1=O)C)C 271570a_100011290941_100011068373 [0,0,1,1,0,0|1,0,1]=4 1516 B11R1.9 C=Cc1cc(cc(c1)C=O)Br 271570a_100011290941_100010185649 [0,0,1,1,0,0|1,0,1]=4 1517 B11R1.9 C=Cc1cc(cc(c1)C=O)C 271570a_100011290941_100000686105 [0,0,1,1,0,0|0,0,2]=4 1518 B11R1.9 C=Cc1cc(cc(c1)C=O)F 271570a_100011290941_100011794424 [0,0,1,1,0,0|1,0,1]=4 1519 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [0,0,1,1,0,0|1,0,1]=4 1520 B11R1.14 C=Cc1cc(c(=O)n(c1)C)C 271570a_100011290941_100011830242 [0,0,1,1,0,0|1,0,1]=4 1521 B11R1.14 C=Cc1cc(c(=O)n(c1)C)F 271570a_100011290941_100010749421 [0,0,1,1,0,0|2,0,0]=4 1522 B11R1.14 C=Cc1cc(c(=O)n(c1)C)N 271570a_100011290941_106446545582 [0,0,1,1,0,0|2,0,0]=4 1523 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [0,0,1,1,0,0|1,0,1]=4 1524 B11R1.14 C=Cc1cc(c(c(c1)C)C)C 271570a_100011290941_200011015895 [0,0,1,1,0,0|1,0,1]=4 1525 B11R1.14 C=Cc1cc(c(c(c1)C)F)C 271570a_100011290941_100009814169 [0,0,1,1,0,0|1,0,1]=4 1526 B11R1.14 C=Cc1cc(c(c(c1)C)N)C 271570a_100011290941_100000737279 [0,0,1,1,0,0|1,0,1]=4 1527 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [0,0,1,1,0,0|0,0,2]=4 1528 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [0,0,1,1,0,0|1,0,1]=4 1529 B11R1.14 C=Cc1cc(c(c(c1)F)F)C 271570a_100011290941_200011068660 [0,0,1,1,0,0|2,0,0]=4 1530 B11R1.14 C=Cc1cc(c(c(c1)F)N)C 271570a_100011290941_100000709789 [0,0,1,1,0,0|2,0,0]=4 1531 B11R1.14 C=Cc1cc(c(c(c1)N)F)C 271570a_100011290941_100010381932 [0,0,1,1,0,0|2,0,0]=4 1532 B11R1.14 C=Cc1cc(c(c(c1)N)N)C 271570a_100011290941_100000688557 [0,0,1,1,0,0|2,0,0]=4 1533 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [0,0,1,1,0,0|1,0,1]=4 1534 B11R1.14 C=Cc1cc(c(c(c1)O)N)C 271570a_100011290941_100010371313 [0,0,1,1,0,0|2,0,0]=4 1535 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [0,0,1,1,0,0|2,0,0]=4 1536 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [0,0,1,1,0,0|2,0,0]=4 1537 B11R1.37 C=Cc1ncc(cc1C=O)C 271570a_100011290941_100000050350 [0,0,1,1,0,0|2,0,0]=4 1538 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [0,0,1,1,0,0|0,0,2]=4 1539 B11R1.189 C=C=Cc1ccnc(c1)C=O 271570a_100015277604_100011998288 [0,0,1,1,0,0|1,0,1]=4 1540 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [0,0,1,1,0,0|0,0,2]=4 1541 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [0,0,1,1,0,0|1,0,1]=4 1542 B11R1.192 C=C=Cc1ccc(=O)n(c1)C 271570a_100015277604_100011245003 [0,0,1,1,0,0|1,0,1]=4 1543 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [0,0,1,1,0,0|1,0,1]=4 1544 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [0,0,1,1,0,0|1,0,1]=4 1545 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [0,0,1,1,0,0|1,0,1]=4 1546 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [0,0,1,1,0,0|1,0,1]=4 1547 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [0,0,1,1,0,0|1,0,1]=4 1548 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [0,0,1,1,0,0|0,0,2]=4 1549 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [0,0,1,1,0,0|1,0,1]=4 1550 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [0,0,1,1,0,0|1,0,1]=4 1551 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [0,0,1,1,0,0|1,0,1]=4 1552 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [0,0,1,1,0,0|1,0,1]=4 1553 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [0,0,1,1,0,0|1,0,1]=4 1554 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [0,0,1,1,0,0|1,0,1]=4 1555 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [0,0,1,1,0,0|0,0,2]=4 1556 B11R1.13 C=C=Cc1cccc(c1C)C 271570a_100015277604_100011214922 [0,0,1,1,0,0|1,0,1]=4 1557 B11R1.13 C=C=Cc1cccc(c1Cl)C 271570a_100015277604_200012352035 [0,0,1,1,0,0|1,0,1]=4 1558 B11R1.13 C=C=Cc1cccc(c1F)C 271570a_100015277604_100000717567 [0,0,1,1,0,0|1,0,1]=4 1559 B11R1.13 C=C=Cc1cccc(c1N)C 271570a_100015277604_100011834072 [0,0,1,1,0,0|1,0,1]=4 1560 B11R1.13 C=C=Cc1cccc(c1O)C 271570a_100015277604_100009817157 [0,0,1,1,0,0|0,0,2]=4 1561 B11R1.13 C=C=Cc1cccn(c1=O)C 271570a_100015277604_100000687173 [0,0,1,1,0,0|1,0,1]=4 1562 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [0,0,1,1,0,0|1,0,1]=4 1563 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [0,0,1,1,0,0|1,0,1]=4 1564 B11R1.13 CC=Cc1cccc(c1F)C 271570a_100016259895_100000717567 [0,0,1,1,0,0|1,0,1]=4 1565 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [0,0,1,1,0,0|1,0,1]=4 1566 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [0,0,1,1,0,0|0,0,2]=4 1567 B11R1.13 CC=Cc1cccn(c1=O)C 271570a_100016259895_100000687173 [0,0,1,1,0,0|1,0,1]=4 1568 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,1]=4 1569 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,0,1]=4 1570 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,1]=4 1571 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|1,0,1]=4 1572 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|1,0,1]=4 1573 B13R2.10 Brc1ccc(s1)c2ccccc2 271570a_100011218836_100010197418 [0,0,0,1,0,1|2,0,0]=4 1574 B13R2.10 Brc1csc(n1)c2ccccc2 271570a_100011218836_200016082925 [0,0,0,1,0,1|1,1,0]=4 1575 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 271570a_100011218836_100161115468 [0,0,0,1,0,1|1,0,0]=3 1576 B13R2.10 Cc1c[nH]c(n1)c2ccccn2 271570a_100011264011_100161115468 [0,0,0,1,0,1|2,0,0]=4 1577 B13R2.10 Cc1c[nH]c(n1)c2cccnc2 271570a_100000757648_100161115468 [0,0,0,1,0,1|2,0,0]=4 1578 B13R2.10 Cc1c[nH]c(n1)c2ccncc2 271570a_100000752145_100161115468 [0,0,0,1,0,1|2,0,0]=4 1579 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100000699828_100000210277 [0,0,0,1,0,1|2,0,0]=4 1580 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000759034 [0,0,0,1,0,1|2,0,0]=4 1581 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100009872134_100000210277 [0,0,0,1,0,1|2,0,0]=4 1582 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100015199547 [0,0,0,1,0,1|2,0,0]=4 1583 B13R2.10 Cc1cc(sn1)c2ccccc2 271570a_100011218836_100009815735 [0,0,0,1,0,1|1,1,0]=4 1584 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,0,0,1,0,1|1,0,0]=3 1585 B13R2.10 Cc1ccc(o1)c2ccccn2 271570a_100000061910_100011216584 [0,0,0,1,0,1|2,0,0]=4 1586 B13R2.10 Cc1ccc(o1)c2cccnc2 271570a_100000061910_100000752921 [0,0,0,1,0,1|2,0,0]=4 1587 B13R2.10 Cc1ccc(o1)c2ccncc2 271570a_100000061910_100000035832 [0,0,0,1,0,1|2,0,0]=4 1588 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011218836_100000761539 [0,0,0,1,0,1|1,0,0]=3 1589 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011934456_100000210277 [0,0,0,1,0,1|1,0,0]=3 1590 B13R2.10 Cc1ccc(s1)c2ccccn2 271570a_100011264011_100000761539 [0,0,0,1,0,1|2,0,0]=4 1591 B13R2.10 Cc1ccc(s1)c2ccccn2 271570a_100011934456_100011216584 [0,0,0,1,0,1|2,0,0]=4 1592 B13R2.10 Cc1ccc(s1)c2cccnc2 271570a_100000757648_100000761539 [0,0,0,1,0,1|2,0,0]=4 1593 B13R2.10 Cc1ccc(s1)c2cccnc2 271570a_100011934456_100000752921 [0,0,0,1,0,1|2,0,0]=4 1594 B13R2.10 Cc1ccc(s1)c2ccncc2 271570a_100000752145_100000761539 [0,0,0,1,0,1|2,0,0]=4 1595 B13R2.10 Cc1ccc(s1)c2ccncc2 271570a_100011934456_100000035832 [0,0,0,1,0,1|2,0,0]=4 1596 B13R2.10 Cc1cnc(s1)c2ccccc2 271570a_100011218836_100000690809 [0,0,0,1,0,1|1,0,0]=3 1597 B13R2.10 Cc1cnc(s1)c2ccccn2 271570a_100011264011_100000690809 [0,0,0,1,0,1|2,0,0]=4 1598 B13R2.10 Cc1cnc(s1)c2cccnc2 271570a_100000757648_100000690809 [0,0,0,1,0,1|2,0,0]=4 1599 B13R2.10 Cc1cnc(s1)c2ccncc2 271570a_100000752145_100000690809 [0,0,0,1,0,1|2,0,0]=4 1600 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100000038307_100000210277 [0,0,0,1,0,1|0,1,0]=3 1601 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100011218836_100009876951 [0,0,0,1,0,1|0,1,0]=3 1602 B13R2.10 Cc1csc(c1)c2ccccn2 271570a_100000038307_100011216584 [0,0,0,1,0,1|1,1,0]=4 1603 B13R2.10 Cc1csc(c1)c2ccccn2 271570a_100011264011_100009876951 [0,0,0,1,0,1|1,1,0]=4 1604 B13R2.10 Cc1csc(c1)c2cccnc2 271570a_100000038307_100000752921 [0,0,0,1,0,1|1,1,0]=4 1605 B13R2.10 Cc1csc(c1)c2cccnc2 271570a_100000757648_100009876951 [0,0,0,1,0,1|1,1,0]=4 1606 B13R2.10 Cc1csc(c1)c2ccncc2 271570a_100000038307_100000035832 [0,0,0,1,0,1|1,1,0]=4 1607 B13R2.10 Cc1csc(c1)c2ccncc2 271570a_100000752145_100009876951 [0,0,0,1,0,1|1,1,0]=4 1608 B13R2.10 Cc1csc(n1)c2ccccc2 271570a_100011218836_100011291629 [0,0,0,1,0,1|0,1,0]=3 1609 B13R2.10 Cc1csc(n1)c2ccccn2 271570a_100011264011_100011291629 [0,0,0,1,0,1|1,1,0]=4 1610 B13R2.10 Cc1csc(n1)c2cccnc2 271570a_100000757648_100011291629 [0,0,0,1,0,1|1,1,0]=4 1611 B13R2.10 Cc1csc(n1)c2ccncc2 271570a_100000752145_100011291629 [0,0,0,1,0,1|1,1,0]=4 1612 B13R2.10 Cc1nc(c[nH]1)c2ccccc2 271570a_100011218836_100009814057 [0,0,0,1,0,1|2,0,0]=4 1613 B13R2.10 Cc1nc(cs1)c2ccccc2 271570a_100011218836_100011934587 [0,0,0,1,0,1|2,0,0]=4 1614 B13R2.10 Cc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100000732540 [0,0,0,1,0,1|2,0,0]=4 1615 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,0,0,1,0,1|2,0,0]=4 1616 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,0,0,1,0,1|2,0,0]=4 1617 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100000696845_100000210277 [0,0,0,1,0,1|2,0,0]=4 1618 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100011218836_100000764884 [0,0,0,1,0,1|2,0,0]=4 1619 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,0,0,1,0,1|2,0,0]=4 1620 B13R2.10 Cc1nnc(s1)c2ccccc2 271570a_100011218836_100000686958 [0,0,0,1,0,1|2,0,0]=4 1621 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,0,0,1,0,1|1,0,1]=4 1622 B13R2.10 Cc1nsc(n1)c2ccccc2 271570a_100011218836_100000709739 [0,0,0,1,0,1|1,1,0]=4 1623 B13R2.10 Clc1ccc(s1)c2ccccc2 271570a_100000708867_100000210277 [0,0,0,1,0,1|2,0,0]=4 1624 B13R2.10 Cn1ccc(c1)c2ccccc2 271570a_100010172022_100000210277 [0,0,0,1,0,1|2,0,0]=4 1625 B13R2.10 Cn1ccc(n1)c2ccccc2 271570a_100011218836_100000752436 [0,0,0,1,0,1|2,0,0]=4 1626 B13R2.10 Cn1ccc(n1)c2ccccc2 271570a_100012348833_100000210277 [0,0,0,1,0,1|2,0,0]=4 1627 B13R2.10 Cn1cnc(c1)c2ccccc2 271570a_100011218836_100000040308 [0,0,0,1,0,1|2,0,0]=4 1628 B13R2.10 Cn1cnc(n1)c2ccccc2 271570a_100011218836_100009819955 [0,0,0,1,0,1|2,0,0]=4 1629 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [0,0,0,1,0,1|1,1,0]=4 1630 B13R2.10 Oc1c[nH]c(n1)c2ccccc2 271570a_203496583355_200010210587 [0,0,0,1,0,1|2,0,0]=4 1631 B13R2.10 Oc1ccc(s1)c2ccccc2 271570a_203496583355_100009814279 [0,0,0,1,0,1|2,0,0]=4 1632 B13R2.10 Oc1cnc(o1)c2ccccc2 271570a_203496583355_100009814072 [0,0,0,1,0,1|2,0,0]=4 1633 B13R2.10 Oc1cnc(s1)c2ccccc2 271570a_203496583355_100000726391 [0,0,0,1,0,1|2,0,0]=4 1634 B13R2.10 Oc1cnn(c1)c2ccccc2 271570a_203496583355_100011260827 [0,0,0,1,0,1|2,0,0]=4 1635 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,1,0,1|1,0,1]=4 1636 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,1,0,1|2,0,0]=4 1637 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,1,0,1|0,0,1]=3 1638 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,0,0,1,0,1|1,0,1]=4 1639 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,1,0,1|0,0,1]=3 1640 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,1,0,1|2,0,0]=4 1641 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,0,0,1,0,1|2,0,0]=4 1642 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,0,0,1,0,1|2,0,0]=4 1643 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,1,0,1|1,0,1]=4 1644 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,1,0,1|1,0,1]=4 1645 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,1,0,1|1,0,1]=4 1646 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,1,0,1|1,0,0]=3 1647 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,1,0,1|1,0,0]=3 1648 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,1,0,1|1,0,1]=4 1649 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,1,0,1|1,0,1]=4 1650 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,1,0,1|2,0,0]=4 1651 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,1,0,1|2,0,0]=4 1652 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,1,0,1|1,0,1]=4 1653 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,1,0,1|1,0,1]=4 1654 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,0,0,1,0,1|2,0,0]=4 1655 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [0,0,0,1,0,1|1,0,1]=4 1656 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,1,0,1|1,0,1]=4 1657 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,0,0,1,0,1|2,0,0]=4 1658 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [0,0,0,1,0,1|1,0,1]=4 1659 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [0,0,0,1,0,1|2,0,0]=4 1660 B13R2.57 C=Cc1ncc2ccccc2n1 271570a_100011290941_100000097389 [0,0,0,1,0,1|2,0,0]=4 1661 B13R2.15 Brc1c[nH]nc1c2ccccc2 271570a_100011218836_100015839836 [0,1,0,1,0,0|2,0,0]=4 1662 B13R2.15 Brc1ccsc1c2ccccc2 271570a_100011218836_100012361411 [0,1,0,1,0,0|1,1,0]=4 1663 B13R2.15 Brc1cscc1c2ccccc2 271570a_100011218836_100010143727 [0,1,0,1,0,0|1,1,0]=4 1664 B13R2.15 Cc1[nH]cnc1c2ccccc2 271570a_100011218836_100009816806 [0,1,0,1,0,0|1,0,0]=3 1665 B13R2.15 Cc1[nH]cnc1c2ccccn2 271570a_100011264011_100009816806 [0,1,0,1,0,0|2,0,0]=4 1666 B13R2.15 Cc1[nH]cnc1c2cccnc2 271570a_100000757648_100009816806 [0,1,0,1,0,0|2,0,0]=4 1667 B13R2.15 Cc1[nH]cnc1c2ccncc2 271570a_100000752145_100009816806 [0,1,0,1,0,0|2,0,0]=4 1668 B13R2.15 Cc1c[nH]nc1c2ccccc2 271570a_100011218836_100009871783 [0,1,0,1,0,0|1,0,0]=3 1669 B13R2.15 Cc1c[nH]nc1c2ccccc2 271570a_100102527747_100000210277 [0,1,0,1,0,0|1,0,0]=3 1670 B13R2.15 Cc1c[nH]nc1c2ccccn2 271570a_100011264011_100009871783 [0,1,0,1,0,0|2,0,0]=4 1671 B13R2.15 Cc1c[nH]nc1c2ccccn2 271570a_100102527747_100011216584 [0,1,0,1,0,0|2,0,0]=4 1672 B13R2.15 Cc1c[nH]nc1c2cccnc2 271570a_100000757648_100009871783 [0,1,0,1,0,0|2,0,0]=4 1673 B13R2.15 Cc1c[nH]nc1c2cccnc2 271570a_100102527747_100000752921 [0,1,0,1,0,0|2,0,0]=4 1674 B13R2.15 Cc1c[nH]nc1c2ccncc2 271570a_100000752145_100009871783 [0,1,0,1,0,0|2,0,0]=4 1675 B13R2.15 Cc1c[nH]nc1c2ccncc2 271570a_100102527747_100000035832 [0,1,0,1,0,0|2,0,0]=4 1676 B13R2.15 Cc1ccsc1c2ccccc2 271570a_100000734444_100000210277 [0,1,0,1,0,0|0,1,0]=3 1677 B13R2.15 Cc1ccsc1c2ccccc2 271570a_100011218836_100000742657 [0,1,0,1,0,0|0,1,0]=3 1678 B13R2.15 Cc1ccsc1c2ccccn2 271570a_100000734444_100011216584 [0,1,0,1,0,0|1,1,0]=4 1679 B13R2.15 Cc1ccsc1c2ccccn2 271570a_100011264011_100000742657 [0,1,0,1,0,0|1,1,0]=4 1680 B13R2.15 Cc1ccsc1c2cccnc2 271570a_100000734444_100000752921 [0,1,0,1,0,0|1,1,0]=4 1681 B13R2.15 Cc1ccsc1c2cccnc2 271570a_100000757648_100000742657 [0,1,0,1,0,0|1,1,0]=4 1682 B13R2.15 Cc1ccsc1c2ccncc2 271570a_100000734444_100000035832 [0,1,0,1,0,0|1,1,0]=4 1683 B13R2.15 Cc1ccsc1c2ccncc2 271570a_100000752145_100000742657 [0,1,0,1,0,0|1,1,0]=4 1684 B13R2.15 Cc1cscc1c2ccccc2 271570a_100000069996_100000210277 [0,1,0,1,0,0|0,1,0]=3 1685 B13R2.15 Cc1cscc1c2ccccc2 271570a_100011218836_100000759966 [0,1,0,1,0,0|0,1,0]=3 1686 B13R2.15 Cc1cscc1c2ccccn2 271570a_100000069996_100011216584 [0,1,0,1,0,0|1,1,0]=4 1687 B13R2.15 Cc1cscc1c2ccccn2 271570a_100011264011_100000759966 [0,1,0,1,0,0|1,1,0]=4 1688 B13R2.15 Cc1cscc1c2cccnc2 271570a_100000069996_100000752921 [0,1,0,1,0,0|1,1,0]=4 1689 B13R2.15 Cc1cscc1c2cccnc2 271570a_100000757648_100000759966 [0,1,0,1,0,0|1,1,0]=4 1690 B13R2.15 Cc1cscc1c2ccncc2 271570a_100000069996_100000035832 [0,1,0,1,0,0|1,1,0]=4 1691 B13R2.15 Cc1cscc1c2ccncc2 271570a_100000752145_100000759966 [0,1,0,1,0,0|1,1,0]=4 1692 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100000069033_100000210277 [0,1,0,1,0,0|2,0,0]=4 1693 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100011218836_100011912673 [0,1,0,1,0,0|2,0,0]=4 1694 B13R2.15 Cc1ncsc1c2ccccc2 271570a_100010115231_100000210277 [0,1,0,1,0,0|0,1,0]=3 1695 B13R2.15 Cc1ncsc1c2ccccc2 271570a_100011218836_100009817116 [0,1,0,1,0,0|0,1,0]=3 1696 B13R2.15 Cc1ncsc1c2ccccn2 271570a_100010115231_100011216584 [0,1,0,1,0,0|1,1,0]=4 1697 B13R2.15 Cc1ncsc1c2ccccn2 271570a_100011264011_100009817116 [0,1,0,1,0,0|1,1,0]=4 1698 B13R2.15 Cc1ncsc1c2cccnc2 271570a_100000757648_100009817116 [0,1,0,1,0,0|1,1,0]=4 1699 B13R2.15 Cc1ncsc1c2cccnc2 271570a_100010115231_100000752921 [0,1,0,1,0,0|1,1,0]=4 1700 B13R2.15 Cc1ncsc1c2ccncc2 271570a_100000752145_100009817116 [0,1,0,1,0,0|1,1,0]=4 1701 B13R2.15 Cc1ncsc1c2ccncc2 271570a_100010115231_100000035832 [0,1,0,1,0,0|1,1,0]=4 1702 B13R2.15 Cc1occc1c2ccccc2 271570a_100000070625_100000210277 [0,1,0,1,0,0|1,0,0]=3 1703 B13R2.15 Cc1occc1c2ccccn2 271570a_100000070625_100011216584 [0,1,0,1,0,0|2,0,0]=4 1704 B13R2.15 Cc1occc1c2cccnc2 271570a_100000070625_100000752921 [0,1,0,1,0,0|2,0,0]=4 1705 B13R2.15 Cc1occc1c2ccncc2 271570a_100000070625_100000035832 [0,1,0,1,0,0|2,0,0]=4 1706 B13R2.15 Cc1oncc1c2ccccc2 271570a_100000723675_100000210277 [0,1,0,1,0,0|2,0,0]=4 1707 B13R2.15 Cc1oncc1c2ccccc2 271570a_100011218836_100009872056 [0,1,0,1,0,0|2,0,0]=4 1708 B13R2.15 Cc1sccc1c2ccccc2 271570a_100011218836_100000684487 [0,1,0,1,0,0|1,0,0]=3 1709 B13R2.15 Cc1sccc1c2ccccc2 271570a_100012356473_100000210277 [0,1,0,1,0,0|1,0,0]=3 1710 B13R2.15 Cc1sccc1c2ccccn2 271570a_100011264011_100000684487 [0,1,0,1,0,0|2,0,0]=4 1711 B13R2.15 Cc1sccc1c2ccccn2 271570a_100012356473_100011216584 [0,1,0,1,0,0|2,0,0]=4 1712 B13R2.15 Cc1sccc1c2cccnc2 271570a_100000757648_100000684487 [0,1,0,1,0,0|2,0,0]=4 1713 B13R2.15 Cc1sccc1c2cccnc2 271570a_100012356473_100000752921 [0,1,0,1,0,0|2,0,0]=4 1714 B13R2.15 Cc1sccc1c2ccncc2 271570a_100000752145_100000684487 [0,1,0,1,0,0|2,0,0]=4 1715 B13R2.15 Cc1sccc1c2ccncc2 271570a_100012356473_100000035832 [0,1,0,1,0,0|2,0,0]=4 1716 B13R2.15 Cc1scnc1c2ccccc2 271570a_100011218836_100000732656 [0,1,0,1,0,0|1,0,0]=3 1717 B13R2.15 Cc1scnc1c2ccccn2 271570a_100011264011_100000732656 [0,1,0,1,0,0|2,0,0]=4 1718 B13R2.15 Cc1scnc1c2cccnc2 271570a_100000757648_100000732656 [0,1,0,1,0,0|2,0,0]=4 1719 B13R2.15 Cc1scnc1c2ccncc2 271570a_100000752145_100000732656 [0,1,0,1,0,0|2,0,0]=4 1720 B13R2.15 Clc1nc[nH]c1c2ccccc2 271570a_100011218836_100010200774 [0,1,0,1,0,0|2,0,0]=4 1721 B13R2.15 Clc1sccc1c2ccccc2 271570a_100000117213_100000210277 [0,1,0,1,0,0|2,0,0]=4 1722 B13R2.15 Cn1cccc1c2ccccc2 271570a_100000068268_100000210277 [0,1,0,1,0,0|2,0,0]=4 1723 B13R2.15 Cn1ccnc1c2ccccc2 271570a_100011218836_100000707724 [0,1,0,1,0,0|2,0,0]=4 1724 B13R2.15 Cn1cncc1c2ccccc2 271570a_100009892668_100000210277 [0,1,0,1,0,0|2,0,0]=4 1725 B13R2.15 Cn1cncc1c2ccccc2 271570a_100011218836_100009814087 [0,1,0,1,0,0|2,0,0]=4 1726 B13R2.15 Cn1nccc1c2ccccc2 271570a_100000707534_100000210277 [0,1,0,1,0,0|2,0,0]=4 1727 B13R2.15 Cn1nccc1c2ccccc2 271570a_100011218836_100000688441 [0,1,0,1,0,0|2,0,0]=4 1728 B13R2.15 Cn1ncnc1c2ccccc2 271570a_100011218836_100000732653 [0,1,0,1,0,0|2,0,0]=4 1729 B13R2.15 Nc1c[nH]nc1c2ccccc2 271570a_100011218836_100010894806 [0,1,0,1,0,0|2,0,0]=4 1730 B13R2.15 Oc1c[nH]nc1c2ccccc2 271570a_203496583355_100011471533 [0,1,0,1,0,0|2,0,0]=4 1731 B13R2.26 C=C=Cc1cc2ccccc2[nH]1 271570a_100015277604_100010232065 [0,1,0,1,0,0|2,0,0]=4 1732 B13R2.26 C=C=Cc1cc2ccccc2o1 271570a_100015277604_100010159458 [0,1,0,1,0,0|2,0,0]=4 1733 B13R2.26 C=C=Cc1cc2ccccc2s1 271570a_100015277604_100009816949 [0,1,0,1,0,0|2,0,0]=4 1734 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [0,1,0,1,0,0|2,0,0]=4 1735 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,1,0,1,0,0|2,0,0]=4 1736 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [0,1,0,1,0,0|2,0,0]=4 1737 B13R2.26 O=CCN1Cc2ccccc2C1 2230a_100000752595_200015260668 [0,1,0,1,0,0|1,0,1]=4 1738 B13R2.26 O=CCN1Cc2ccccc2C1 269982a_100000752595_200015260668 [0,1,0,1,0,0|1,0,1]=4 1739 B13R2.26 O=CCN1Cc2ccccc2C1 34a_100000752595_200009817547 [0,1,0,1,0,0|1,0,1]=4 1740 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,1,0,1,0,0|1,0,1]=4 1741 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,1,0,1,0,0|1,0,1]=4 1742 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,1,0,0|2,0,0]=4 1743 B13R2.135 C=Cc1c(sc2c1cccc2)C 271570a_100011290941_100010002616 [0,1,0,1,0,0|2,0,0]=4 1744 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,1,0,0|1,1,0]=4 1745 B13R2.135 CSc1c(sc2c1cccc2)C 62a_100010002616_200000210301 [0,1,0,1,0,0|1,1,0]=4 1746 B13R2.135 CSc1c(sc2c1cccc2)C 62a_200000210301_100010002616 [0,1,0,1,0,0|1,1,0]=4 1747 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,1,0,0|1,1,0]=4 1748 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_100010002616_200025704644 [0,1,0,1,0,0|1,1,0]=4 1749 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_200025704644_100010002616 [0,1,0,1,0,0|1,1,0]=4 1750 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,1,0,1,0,0|1,0,1]=4 1751 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [0,1,0,1,0,0|1,0,1]=4 1752 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,1,0,1,0,0|0,0,1]=3 1753 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,1,0,1,0,0|1,0,1]=4 1754 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,1,0,1,0,0|1,0,1]=4 1755 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,1,0,1,0,0|2,0,0]=4 1756 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,1,0,1,0,0|1,0,1]=4 1757 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,1,0,1,0,0|2,0,0]=4 1758 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,1,0,1,0,0|2,0,0]=4 1759 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,1,0,1,0,0|1,0,1]=4 1760 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,1,0,1,0,0|1,0,1]=4 1761 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [0,1,0,1,0,0|1,0,1]=4 1762 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,1,0,1,0,0|2,0,0]=4 1763 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,1,0,1,0,0|2,0,0]=4 1764 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,1,0,0|2,0,0]=4 1765 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,1,0,0|0,0,2]=4 1766 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,1,0,0|0,0,2]=4 1767 B13R2.45 CSc1sc2ccccc2c1Br 62a_100015504031_200000210301 [0,1,0,1,0,0|2,0,0]=4 1768 B13R2.45 CSc1sc2ccccc2c1Br 62a_200000210301_100015504031 [0,1,0,1,0,0|2,0,0]=4 1769 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,1,0,1,0,0|2,0,0]=4 1770 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,1,0,1,0,0|2,0,0]=4 1771 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,1,0,0|2,0,0]=4 1772 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,1,0,0|1,0,0]=3 1773 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,1,0,0|0,0,2]=4 1774 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,1,0,0|0,0,2]=4 1775 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_100015504031_200025704644 [0,1,0,1,0,0|2,0,0]=4 1776 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_200025704644_100015504031 [0,1,0,1,0,0|2,0,0]=4 1777 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,1,0,1,0,0|0,0,1]=3 1778 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,1,0,1,0,0|1,0,1]=4 1779 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,1,0,1,0,0|1,0,1]=4 1780 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,1,0,1,0,0|1,0,1]=4 1781 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,1,0,1,0,0|1,0,1]=4 1782 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,1,0,1,0,0|2,0,0]=4 1783 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,1,0,1,0,0|1,0,0]=3 1784 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,1,0,1,0,0|1,0,1]=4 1785 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,1,0,1,0,0|1,0,1]=4 1786 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,1,0,1,0,0|1,0,1]=4 1787 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,1,0,1,0,0|2,0,0]=4 1788 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,1,0,1,0,0|2,0,0]=4 1789 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,1,0,1,0,0|1,0,1]=4 1790 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,1,0,1,0,0|1,0,1]=4 1791 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,1,0,1,0,0|1,0,1]=4 1792 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,1,0,1,0,0|0,0,2]=4 1793 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,1,0,1,0,0|0,0,2]=4 1794 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,1,0,1,0,0|2,0,0]=4 1795 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,1,0,1,0,0|2,0,0]=4 1796 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,1,0,1,0,0|2,0,0]=4 1797 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,1,0,1,0,0|0,0,0]=2 1798 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,1,0,0|0,0,2]=4 1799 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,1,0,0|0,0,2]=4 1800 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,1,0,0|1,0,1]=4 1801 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,1,0,0|1,0,1]=4 1802 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,1,0,1,0,0|1,0,1]=4 1803 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,1,0,1,0,0|1,0,1]=4 1804 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,1,0,1,0,0|1,0,1]=4 1805 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,1,0,1,0,0|1,0,1]=4 1806 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,1,0,1,0,0|0,0,0]=2 1807 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,1,0,0|0,0,2]=4 1808 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,1,0,0|1,0,1]=4 1809 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,1,0,0|1,0,1]=4 1810 B13R2.43 C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100011290941_100011012855 [0,1,0,1,0,0|2,0,0]=4 1811 B13R2.43 C=Cc1cc2cc(ccc2s1)Br 271570a_100011290941_200010198765 [0,1,0,1,0,0|2,0,0]=4 1812 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,1,0,0|1,0,0]=3 1813 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,1,0,1,0,0|1,0,0]=3 1814 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,1,0,1,0,0|1,0,0]=3 1815 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [0,1,0,1,0,0|1,0,0]=3 1816 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [0,1,0,1,0,0|1,0,0]=3 1817 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [0,1,0,1,0,0|2,0,0]=4 1818 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [0,1,0,1,0,0|2,0,0]=4 1819 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [0,1,0,1,0,0|2,0,0]=4 1820 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,1,0,1,0,0|0,0,2]=4 1821 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,1,0,1,0,0|1,0,1]=4 1822 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,1,0,0|2,0,0]=4 1823 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,1,0,0|2,0,0]=4 1824 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [0,1,0,1,0,0|2,0,0]=4 1825 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [0,1,0,1,0,0|2,0,0]=4 1826 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [0,1,0,1,0,0|2,0,0]=4 1827 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [0,1,0,1,0,0|1,0,0]=3 1828 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,1,0,1,0,0|2,0,0]=4 1829 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [0,1,0,1,0,0|2,0,0]=4 1830 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [0,1,0,1,0,0|2,0,0]=4 1831 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [0,1,0,1,0,0|2,0,0]=4 1832 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [0,1,0,1,0,0|2,0,0]=4 1833 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,1,0,1,0,0|2,0,0]=4 1834 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [0,1,0,1,0,0|2,0,0]=4 1835 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [0,1,0,1,0,0|2,0,0]=4 1836 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [0,1,0,1,0,0|2,0,0]=4 1837 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,1,0,1,0,0|2,0,0]=4 1838 B13R2.54 C=Cc1cc2cccc(c2[nH]1)Br 271570a_100011290941_100135389745 [0,1,0,1,0,0|2,0,0]=4 1839 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,1,0,1,0,0|1,0,0]=3 1840 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [0,1,0,1,0,0|1,0,0]=3 1841 B13R2.54 O=Cc1cc2nccc(c2s1)O 271570a_203496583355_100009883415 [0,1,0,1,0,0|2,0,0]=4 1842 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [0,1,0,1,0,0|2,0,0]=4 1843 B13R2.54 O=Cc1cn2cccc(c2n1)O 271570a_203496583355_100012360382 [0,1,0,1,0,0|2,0,0]=4 1844 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [0,1,0,1,0,0|2,0,0]=4 1845 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [0,1,0,1,0,0|2,0,0]=4 1846 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [0,1,0,1,0,0|1,0,0]=3 1847 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [0,1,0,1,0,0|2,0,0]=4 1848 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [0,1,0,1,0,0|2,0,0]=4 1849 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,1,0,1,0,0|2,0,0]=4 1850 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [0,1,0,1,0,0|2,0,0]=4 1851 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,1,0,1,0,0|2,0,0]=4 1852 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,1,0,1,0,0|2,0,0]=4 1853 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [0,1,0,1,0,0|2,0,0]=4 1854 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [0,1,0,1,0,0|2,0,0]=4 1855 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,1,0,0|2,0,0]=4 1856 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,1,0,1,0,0|2,0,0]=4 1857 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [0,1,0,1,0,0|2,0,0]=4 1858 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,1,0,1,0,0|2,0,0]=4 1859 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,1,0,1,0,0|2,0,0]=4 1860 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,1,0,1,0,0|2,0,0]=4 1861 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,1,0,1,0,0|2,0,0]=4 1862 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,1,0,1,0,0|2,0,0]=4 1863 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,1,0,1,0,0|2,0,0]=4 1864 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,1,0,1,0,0|2,0,0]=4 1865 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [0,1,0,1,0,0|0,0,2]=4 1866 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [0,1,0,1,0,0|1,0,1]=4 1867 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,1,0,0|2,0,0]=4 1868 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [0,1,0,1,0,0|2,0,0]=4 1869 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [0,1,0,1,0,0|2,0,0]=4 1870 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [0,1,0,1,0,0|2,0,0]=4 1871 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [0,1,0,1,0,0|2,0,0]=4 1872 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [0,1,0,1,0,0|2,0,0]=4 1873 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [0,1,0,1,0,0|2,0,0]=4 1874 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [0,1,0,1,0,0|2,0,0]=4 1875 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [0,1,0,1,0,0|2,0,0]=4 1876 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [0,1,0,1,0,0|2,0,0]=4 1877 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,1,0,0|0,0,2]=4 1878 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,1,0,0|1,0,1]=4 1879 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,1,0,0|2,0,0]=4 1880 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|0,0,0]=2 1881 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,1,0|1,0,0]=3 1882 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,1,0|1,0,0]=3 1883 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,1,0|2,0,0]=4 1884 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,1,0|1,0,0]=3 1885 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,1,0|2,0,0]=4 1886 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,1,0|2,0,0]=4 1887 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,1,0|2,0,0]=4 1888 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,1,0|2,0,0]=4 1889 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,1,0|2,0,0]=4 1890 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|0,0,0]=2 1891 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,1,0|1,0,1]=4 1892 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,1,0|1,0,1]=4 1893 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,1,0|1,0,1]=4 1894 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,1,0|1,0,1]=4 1895 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,1,0|1,0,1]=4 1896 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,1,0|1,0,1]=4 1897 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|0,0,0]=2 1898 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,0,0,0,1,0|1,0,1]=4 1899 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,0,1,0|1,0,1]=4 1900 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [1,0,0,0,1,0|1,0,1]=4 1901 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [1,0,0,0,1,0|1,0,1]=4 1902 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|1,0,1]=4 1903 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|1,0,1]=4 1904 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|1,0,1]=4 1905 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|1,0,1]=4 1906 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|1,0,1]=4 1907 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|1,0,1]=4 1908 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|1,0,1]=4 1909 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|1,0,1]=4 1910 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|1,0,1]=4 1911 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|1,0,1]=4 1912 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|1,0,1]=4 1913 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|1,0,1]=4 1914 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|1,0,1]=4 1915 B13R1.718 C/C(=C/N)/C=NNc1ccccc1 4a_100015195140_100050415766 [0,0,0,0,0,2|1,0,0]=3 1916 B13R1.718 C/C(=C/N)/C=NNc1ccccn1 4a_100000183288_100050415766 [0,0,0,0,0,2|2,0,0]=4 1917 B13R1.718 C/C(=C/N)/C=NNc1cccnc1 4a_100000728903_100050415766 [0,0,0,0,0,2|2,0,0]=4 1918 B13R1.718 C/C(=C/N)/C=NNc1ccncc1 4a_100000698918_100050415766 [0,0,0,0,0,2|2,0,0]=4 1919 B13R1.718 C/C=C(\C)/C=NNc1ccccc1 4a_100015195140_100020587592 [0,0,0,0,0,2|1,0,0]=3 1920 B13R1.718 C/C=C(\C)/C=NNc1ccccn1 4a_100000183288_100020587592 [0,0,0,0,0,2|2,0,0]=4 1921 B13R1.718 C/C=C(\C)/C=NNc1cccnc1 4a_100000728903_100020587592 [0,0,0,0,0,2|2,0,0]=4 1922 B13R1.718 C/C=C(\C)/C=NNc1ccncc1 4a_100000698918_100020587592 [0,0,0,0,0,2|2,0,0]=4 1923 B13R1.718 C=CC(=NNCc1ccccc1)C 4a_100000007032_200015361842 [0,0,0,0,0,2|1,0,1]=4 1924 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,0,0,0,0,2|2,0,0]=4