0 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000187231_100000210623 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000201359_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000225617_100015193705 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000187231_100000210623 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000201359_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000225617_100015193705 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.32 C=CCN([13CH3])Cc1ccncc1 2230a_100000201359_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.32 C=CCN([13CH3])Cc1ccncc1 269982a_100000201359_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,0,0,0,0,0|2,0,2]=4 46 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,0,0,0,0,0|2,0,2]=4 47 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,0,0,0,0,0|2,0,2]=4 48 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,0,0,0,0,0|2,0,2]=4 49 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,0,0,0,0,0|2,0,2]=4 50 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,0,0,0,0,0|2,0,1]=3 57 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,0,0,0,0,0|2,0,1]=3 59 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,0,0,0,0,0|2,0,1]=3 60 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,0,0,0,0,0|3,0,1]=4 63 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,0,0,0,0,0|3,0,1]=4 65 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,0,0,0,0,0|3,0,1]=4 66 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,0,0,0,0,0|2,0,1]=3 77 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,0,0,0,0,0|2,0,1]=3 78 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,0,0,0,0|2,0,1]=3 83 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,0,0,0,0|2,0,1]=3 84 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,0,0,0,0|2,0,1]=3 85 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,0,0,0,0,0|2,0,1]=3 87 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,0,0,0,0,0|2,0,0]=2 92 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,0,0,0,0,0|2,0,0]=2 93 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,0,0,0,0,0|3,0,0]=3 94 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,0,0,0,0,0|3,0,0]=3 96 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,0,0,0,0,0|3,0,0]=3 97 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [0,0,0,0,0,0|3,0,0]=3 98 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.32 CN(CC=O)Cc1cnccn1 2230a_100011269079_200015260668 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.32 CN(CC=O)Cc1cnccn1 269982a_100011269079_200015260668 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.32 CN(CC=O)Cc1ncccn1 2230a_100025716638_200015260668 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.32 CN(CC=O)Cc1ncccn1 269982a_100025716638_200015260668 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,0,0,0,0,0|2,0,2]=4 106 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,0,0,0,0,0|2,0,2]=4 107 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,0,0,0,0,0|2,0,2]=4 108 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,0,0,0,0,0|2,0,2]=4 109 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,0,0,0,0,0|2,0,2]=4 112 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,0,0,0,0,0|2,0,2]=4 140 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,0,0,0,0,0|4,0,0]=4 145 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,0,0,0,0,0|2,0,1]=4 170 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,0,0,0|1,0,1]=3 171 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,0,0,0|1,0,1]=3 172 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,0,0,0|1,0,1]=3 173 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,0,0,0,0,0|2,0,1]=4 174 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,0,0,0,0,0|2,0,1]=4 175 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,0,0,0,0,0|2,0,1]=4 177 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 179 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,0,0,0,0,0|1,0,1]=3 194 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,0|2,0,0]=3 221 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,0|1,0,2]=4 228 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,0|1,0,2]=4 229 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,0|1,0,2]=4 230 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,0|1,0,2]=4 231 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,0|1,0,1]=3 232 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,0|1,0,1]=3 233 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,0|1,0,1]=3 235 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,0,0,0,0,0|1,0,1]=3 236 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,0,0,0,0,0|1,0,1]=3 237 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,0,0,0,0,0|2,0,1]=4 242 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,0,0,0,0,0|2,0,1]=4 243 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,0,0,0,0,0|1,0,1]=3 253 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,0|0,0,1]=2 254 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,0|0,0,1]=2 255 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,0,0,0,0,0|1,0,1]=3 256 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,0,0,0,0,0|1,0,1]=3 257 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,0,0,0,0,0|1,0,1]=3 258 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,0,0,0,0,0|1,0,1]=3 259 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,0|1,0,1]=3 262 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,0|1,0,1]=3 263 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,0|1,0,1]=3 264 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,0|1,0,1]=3 267 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,0|1,0,1]=3 268 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,0|1,0,2]=4 269 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,0|1,0,2]=4 270 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210623 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000196220_200000210301 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 2230a_100000225617_100011217064 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210623 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000196220_200000210301 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 269982a_100000225617_100011217064 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 26a_100000225617_100000185759 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 270004a_100000225617_100000186029 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.19 C=CCN(C)Cc1ccc(cc1)Br 34a_100000196220_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000196234_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000225617_100000210814 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210623 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000196234_200000210301 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000225617_100000210814 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210623 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 26a_100000225617_200020625495 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 270004a_100000225617_100000211033 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000196234_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000744650_100015514636 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210623 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000196221_200000210301 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 2230a_100000225617_100000694040 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210623 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000196221_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 269982a_100000225617_100000187161 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 270004a_100000225617_100000189385 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100015514636 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.19 C=CCN(C)Cc1ccc(cc1)Cl 34a_100000196221_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210623 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000196225_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 2230a_100000225617_100000198546 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210623 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000196225_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 269982a_100000225617_100000198546 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 270004a_100000225617_100000210084 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 34a_100000184576_100015514636 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.19 C=CCN(C)Cc1ccc(cc1)F 34a_100000196225_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.19 C=CCN(C)Cc1ccc(cc1)I 2230a_100000225617_100000189116 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.19 C=CCN(C)Cc1ccc(cc1)I 269982a_100000225617_100000189116 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.19 C=CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210623 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.19 C=CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210623 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000196220_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000196220_200025704644 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Br 34a_100000196220_200025704644 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 2230a_100000196234_200025704644 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 269982a_100000196234_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 34a_100000196234_200025704644 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000196221_200025704644 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000196221_200025704644 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)Cl 34a_100000196221_200025704644 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 2230a_100000196225_200025704644 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 269982a_100000196225_200025704644 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)F 34a_100000196225_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.19 CC(Cc1ccc(cc1)F)OCF 34a_100011351027_100015361967 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.19 CC(Cc1ccc(cc1)F)OCF 7a_100011351027_100015361967 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.19 CC(Cc1ccc(cc1)O)NCF 34a_100102634573_100015361967 [0,1,0,0,0,0|1,0,1]=3 326 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,1,0,0,0,0|1,0,1]=3 327 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,1,0,0,0,0|1,0,1]=3 328 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,1,0,0,0,0|1,0,1]=3 329 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,1,0,0,0,0|1,0,1]=3 330 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,1,0,0,0,0|1,0,1]=3 331 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,1,0,0,0,0|1,0,1]=3 332 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,1,0,0,0,0|1,0,1]=3 333 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 2230a_100000180866_200015260668 [0,1,0,0,0,0|2,0,0]=3 336 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 269982a_100000180866_200015260668 [0,1,0,0,0,0|2,0,0]=3 337 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 2230a_100000184517_200015260668 [0,1,0,0,0,0|2,0,0]=3 338 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 269982a_100000184517_200015260668 [0,1,0,0,0,0|2,0,0]=3 339 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 34a_100000184517_200009817547 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 2230a_100000184576_200015260668 [0,1,0,0,0,0|2,0,0]=3 341 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 269982a_100000184576_200015260668 [0,1,0,0,0,0|2,0,0]=3 342 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 34a_100000184576_200009817547 [0,1,0,0,0,0|2,0,0]=3 343 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 2230a_100000207500_200015260668 [0,1,0,0,0,0|2,0,0]=3 344 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 269982a_100000207500_200015260668 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 2230a_100000026953_200015260668 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 269982a_100000026953_200015260668 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 34a_100000026953_200009817547 [0,1,0,0,0,0|3,0,0]=4 348 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 2230a_100000744650_200015260668 [0,1,0,0,0,0|2,0,0]=3 349 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 269982a_100000744650_200015260668 [0,1,0,0,0,0|2,0,0]=3 350 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 34a_100000744650_200009817547 [0,1,0,0,0,0|2,0,0]=3 351 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 2230a_106623407658_200015260668 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 269982a_106623407658_200015260668 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 34a_106623407658_200009817547 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 2230a_200000717808_200015260668 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 269982a_200000717808_200015260668 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210623 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100000225617_100000698116 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 2230a_100015185876_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210623 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100000225617_100000211773 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 269982a_100015185876_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 26a_100000225617_100000210342 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.20 C=CCN(C)Cc1cccc(c1)Br 270004a_100000225617_100000210085 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.20 C=CCN(C)Cc1cccc(c1)C 2230a_100000225617_100000211840 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.20 C=CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210623 [0,1,0,0,0,0|3,0,0]=4 366 B13R1.20 C=CCN(C)Cc1cccc(c1)C 269982a_100000225617_100000211840 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.20 C=CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210623 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.20 C=CCN(C)Cc1cccc(c1)C 270004a_100000225617_100000211157 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.20 C=CCN(C)Cc1cccc(c1)C 34a_102495364743_100015514636 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 2230a_100000225617_100000181238 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210623 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 269982a_100000225617_100000181238 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210623 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.20 C=CCN(C)Cc1cccc(c1)Cl 270004a_100000225617_100000210801 [0,1,0,0,0,0|3,0,0]=4 375 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210623 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000196241_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.20 C=CCN(C)Cc1cccc(c1)F 2230a_100000225617_100000230114 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210623 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000196241_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.20 C=CCN(C)Cc1cccc(c1)F 269982a_100000225617_100000230114 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.20 C=CCN(C)Cc1cccc(c1)F 270004a_100000225617_100000210812 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.20 C=CCN(C)Cc1cccc(c1)F 34a_100000184398_100015514636 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.20 C=CCN(C)Cc1cccc(c1)F 34a_100000196241_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.20 C=CCN(C)Cc1cccc(c1)I 2230a_100000225617_100011218688 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.20 C=CCN(C)Cc1cccc(c1)I 269982a_100000225617_100011218688 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.20 C=CCN(C)Cc1cccc(c1)I 270004a_100000225617_100000014684 [0,1,0,0,0,0|3,0,0]=4 387 B13R1.20 C=CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210623 [0,1,0,0,0,0|3,0,0]=4 388 B13R1.20 C=CCN(C)Cc1cccc(c1)O 2230a_100000225617_100011660834 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.20 C=CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210623 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.20 C=CCN(C)Cc1cccc(c1)O 269982a_100000225617_100000084143 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.20 C=CCN(C)Cc1cccc(c1)O 270004a_100000225617_100000188321 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)Br 2230a_100015185876_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)Br 269982a_100015185876_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 2230a_100000196241_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 269982a_100000196241_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.20 C=CCN([13CH3])Cc1cccc(c1)F 34a_100000196241_200025704644 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.20 CCNC(C)Cc1cc(ccn1)C 270004a_100015525214_200015184229 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,1,0,0,0,0|1,0,1]=3 399 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,1,0,0,0,0|1,0,1]=3 400 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,1,0,0,0,0|1,0,1]=3 401 B13R1.20 CN(CC=O)Cc1cc(ccn1)Cl 2230a_100102954512_200015260668 [0,1,0,0,0,0|3,0,0]=4 402 B13R1.20 CN(CC=O)Cc1cc(ccn1)Cl 269982a_100102954512_200015260668 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.20 CN(CC=O)Cc1cccc(c1)Br 2230a_100000187585_200015260668 [0,1,0,0,0,0|2,0,0]=3 404 B13R1.20 CN(CC=O)Cc1cccc(c1)Br 269982a_100000187585_200015260668 [0,1,0,0,0,0|2,0,0]=3 405 B13R1.20 CN(CC=O)Cc1cccc(c1)Cl 2230a_100020629429_200015260668 [0,1,0,0,0,0|2,0,0]=3 406 B13R1.20 CN(CC=O)Cc1cccc(c1)Cl 269982a_100020629429_200015260668 [0,1,0,0,0,0|2,0,0]=3 407 B13R1.20 CN(CC=O)Cc1cccc(c1)F 2230a_100000184398_200015260668 [0,1,0,0,0,0|2,0,0]=3 408 B13R1.20 CN(CC=O)Cc1cccc(c1)F 269982a_100000184398_200015260668 [0,1,0,0,0,0|2,0,0]=3 409 B13R1.20 CN(CC=O)Cc1cccc(c1)F 34a_100000184398_200009817547 [0,1,0,0,0,0|2,0,0]=3 410 B13R1.20 CN(CC=O)Cc1cccc(c1)O 2230a_100000207540_200015260668 [0,1,0,0,0,0|2,0,0]=3 411 B13R1.20 CN(CC=O)Cc1cccc(c1)O 269982a_100000207540_200015260668 [0,1,0,0,0,0|2,0,0]=3 412 B13R1.20 CN(CC=O)Cc1cccc(n1)Br 2230a_106354212997_200015260668 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.20 CN(CC=O)Cc1cccc(n1)Br 269982a_106354212997_200015260668 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.20 CN(CC=O)Cc1cncc(c1)Br 2230a_103549770560_200015260668 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.20 CN(CC=O)Cc1cncc(c1)Br 269982a_103549770560_200015260668 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.20 Cc1cccc(c1)CN(C)CC=O 2230a_102495364743_200015260668 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.20 Cc1cccc(c1)CN(C)CC=O 269982a_102495364743_200015260668 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.20 Cc1cccc(c1)CN(C)CC=O 34a_102495364743_200009817547 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.20 Cc1cccc(n1)CN(C)CC=O 2230a_100000687132_200015260668 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.20 Cc1cccc(n1)CN(C)CC=O 269982a_100000687132_200015260668 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.20 Cc1ccnc(c1)CN(C)CC=O 2230a_106354213154_200015260668 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.20 Cc1ccnc(c1)CN(C)CC=O 269982a_106354213154_200015260668 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,1,0,0,0,0|1,0,1]=3 424 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [0,1,0,0,0,0|2,0,1]=4 425 B13R1.44 C#CCNC(C)Cc1cccnc1 2230a_100011207255_100000038162 [0,1,0,0,0,0|2,0,1]=4 426 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,1,0,0,0,0|2,0,1]=4 429 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,1,0,0,0,0|2,0,1]=4 430 B13R1.44 C/C=C/CN(C)Cc1ccccc1 269982a_100000186898_100102629194 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.44 C=CCNC(C)C[n+]1ccccc1 270004a_100020586998_100000034229 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.44 C=CCNC(C)Cc1cccnc1 2230a_100011207255_100000210623 [0,1,0,0,0,0|2,0,0]=3 443 B13R1.44 C=CCNC(C)Cc1cccnc1 270004a_100020586998_100015187140 [0,1,0,0,0,0|2,0,0]=3 444 B13R1.44 C=CCNC(C)Cc1ccncc1 270004a_100020586998_100000238508 [0,1,0,0,0,0|2,0,0]=3 445 B13R1.44 C=CCNC(C)Cc1cnccn1 2230a_100011277835_100000210623 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.44 C=CCNC(C)Cc1cnccn1 270004a_100020586998_100015184882 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,1,0,0,0,0|2,0,0]=3 448 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,1,0,0,0,0|2,0,0]=3 449 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,1,0,0,0,0|2,0,0]=3 450 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,1,0,0,0,0|2,0,0]=3 451 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,1,0,0,0,0|2,0,0]=3 452 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [0,1,0,0,0,0|1,0,2]=4 456 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,1,0,0,0,0|1,0,1]=3 457 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,1,0,0,0,0|0,0,2]=3 458 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,1,0,0,0,0|1,0,0]=2 460 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,1,0,0,0,0|1,0,0]=2 461 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,1,0,0,0,0|1,0,2]=4 466 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,1,0,0,0,0|1,0,2]=4 467 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,1,0,0,0,0|1,0,0]=2 470 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,1,0,0,0,0|1,0,0]=2 471 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,1,0,0,0,0|1,0,2]=4 474 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,1,0,0,0,0|1,0,2]=4 475 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [0,1,0,0,0,0|1,0,0]=2 477 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,1,0,0,0,0|1,0,2]=4 479 B13R1.44 CC(Cc1cccnc1)NCC#N 2230a_100011207255_100011215382 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.44 CC(Cc1cccnc1)NCC=O 2230a_100011207255_200015260668 [0,1,0,0,0,0|1,0,0]=2 481 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [0,1,0,0,0,0|2,0,1]=4 482 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,1,0,0,0,0|1,0,2]=4 483 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [0,1,0,0,0,0|1,0,2]=4 485 B13R1.44 CC(Cc1cnccn1)NCC=O 2230a_100011277835_200015260668 [0,1,0,0,0,0|2,0,0]=3 486 B13R1.44 CC=CCN(C)Cc1ccccc1 2230a_100000186898_100000070051 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,1,0,0,0,0|2,0,1]=4 490 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,0,0,0|2,0,1]=4 495 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,1,0,0,0,0|2,0,1]=4 501 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [0,1,0,0,0,0|1,0,2]=4 505 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [0,1,0,0,0,0|1,0,2]=4 506 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,1,0,0,0,0|1,0,2]=4 507 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,1,0,0,0,0|1,0,2]=4 508 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [0,1,0,0,0,0|1,1,1]=4 509 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [0,1,0,0,0,0|1,1,1]=4 510 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,1,0,0,0,0|1,1,1]=4 511 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,1,0,0,0,0|1,1,1]=4 512 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,1,0,0,0,0|1,1,1]=4 513 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210623 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000225617_100000230085 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000195388_100000210623 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000225617_100000230085 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.47 CC(c1ccccc1)N(C)CC=O 2230a_100000195388_200015260668 [0,1,0,0,0,0|2,0,0]=3 518 B13R1.47 CC(c1ccccc1)N(C)CC=O 269982a_100000195388_200015260668 [0,1,0,0,0,0|2,0,0]=3 519 B13R1.47 CC(c1ccccn1)N(C)CC=O 2230a_100000231138_200015260668 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.47 CC(c1ccccn1)N(C)CC=O 269982a_100000231138_200015260668 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.47 CC(c1cccnc1)N(C)CC=O 2230a_100000232774_200015260668 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.47 CC(c1cccnc1)N(C)CC=O 269982a_100000232774_200015260668 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.47 CC(c1ccncc1)N(C)CC=O 2230a_100000231139_200015260668 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.47 CC(c1ccncc1)N(C)CC=O 269982a_100000231139_200015260668 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,1,0,0,0,0|1,0,2]=4 526 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000186914_100000210623 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000196212_100000210202 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000186914_100000210623 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000196212_100000204670 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.79 C=CCN(CF)Cc1ccccc1 269982a_100000196212_100015361967 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [0,1,0,0,0,0|2,0,0]=3 535 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [0,1,0,0,0,0|2,0,0]=3 536 B13R1.79 CCN(CC=O)Cc1ccccn1 2230a_100000201164_200015260668 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.79 CCN(CC=O)Cc1ccccn1 269982a_100000201164_200015260668 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.79 CCN(CC=O)Cc1cccnc1 2230a_100000186920_200015260668 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.79 CCN(CC=O)Cc1cccnc1 269982a_100000186920_200015260668 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.79 CCN(CC=O)Cc1ccncc1 2230a_100000186919_200015260668 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.79 CCN(CC=O)Cc1ccncc1 269982a_100000186919_200015260668 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,1,0,0,0,0|1,0,2]=4 543 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,1,0,0,0,0|1,0,1]=3 544 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,1,0,0,0,0|1,0,1]=3 545 B13R1.79 CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210202 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.79 CCNC(CO)Cc1ccncc1 2230a_100000717866_100000210202 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,1,0,0,0,0|2,0,1]=4 561 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,0|2,0,0]=3 562 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000185746 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 240690a_100000186898_200121576911 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.135 C=CC(C)N(C)Cc1ccccc1 269982a_100000186898_100011215867 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,0|1,0,2]=4 567 B13R1.135 CC(Cc1ccccn1)N(C)CF 269982a_200011351704_100015361967 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,1,0,0,0,0|1,0,1]=3 571 B13R1.135 CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210202 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.135 CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000204670 [0,1,0,0,0,0|2,0,1]=4 573 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.348 C=C(F)CN(C)Cc1ccccc1 2230a_100000186898_100009893438 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.348 C=C(F)CN(C)Cc1ccccc1 269982a_100000186898_100009893438 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B13R1.348 CC(=O)CN(C)Cc1ccccn1 1458a_100015184508_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,1,0,0,0,0|1,0,0]=2 594 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,1,0,0,0,0|1,0,0]=2 595 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,1,0,0,0,0|1,0,0]=2 596 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,1,0,0,0,0|1,0,0]=2 597 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,1,0,0,0,0|1,0,0]=2 598 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,1,0,0,0,0|1,0,0]=2 599 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,1,0,0,0,0|1,0,0]=2 600 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,1,0,0,0,0|1,0,0]=2 601 B13R1.348 CC(=O)NC(C)Cc1cnccn1 11a_100011277835_100015343762 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.348 CC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100015343762 [0,1,0,0,0,0|2,0,0]=3 603 B13R1.348 CC(=O)NC(C)Cc1cnccn1 240690a_100011277835_100015343762 [0,1,0,0,0,0|2,0,0]=3 604 B13R1.348 CC(=O)NC(C)Cc1cnccn1 527a_100011277835_100103153847 [0,1,0,0,0,0|2,0,0]=3 605 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,1,0,0,0,0|2,0,0]=3 606 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,1,0,0,0,0|2,0,0]=3 607 B13R1.348 CC(=O)OC(C)Sc1ccccn1 62a_100009818208_100011216584 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.348 CC(=O)OC(C)Sc1ccccn1 62a_100011216584_100009818208 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.348 CC(=O)OC(C)Sc1cccnc1 62a_100000210063_100009818208 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.348 CC(=O)OC(C)Sc1cccnc1 62a_100009818208_100000210063 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.348 CC(=O)OC(C)Sc1ccncc1 62a_100000728582_100009818208 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.348 CC(=O)OC(C)Sc1ccncc1 62a_100009818208_100000728582 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,1,0,0,0,0|1,0,1]=3 614 B13R1.348 CC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000210206 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.348 CC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000210206 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,1,0,0,0,0|2,0,0]=3 622 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,1,0,0,0,0|2,0,0]=3 623 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,1,0,0,0,0|2,0,0]=3 624 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,1,0,0,0,0|2,0,0]=3 625 B13R1.348 CN(CC(=O)N)Cc1ccccn1 2230a_100000207498_100000747473 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.348 CN(CC(=O)N)Cc1ccccn1 2230a_100000739694_100000721315 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.348 CN(CC(=O)N)Cc1ccccn1 269982a_100000207498_100000187820 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.348 CN(CC(=O)N)Cc1ccccn1 270004a_100000739694_100000209966 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000184577_100000747473 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000739694_100000741622 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.348 CN(CC(=O)N)Cc1cccnc1 269982a_100000184577_100000187820 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.348 CN(CC(=O)N)Cc1cccnc1 270004a_100000739694_100000209961 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.348 CN(CC(=O)N)Cc1ccncc1 2230a_100000187231_100000747473 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.348 CN(CC(=O)N)Cc1ccncc1 2230a_100000739694_100015193705 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.348 CN(CC(=O)N)Cc1ccncc1 269982a_100000187231_100000187820 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,0|2,0,0]=3 637 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,0|2,0,0]=3 638 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,0|2,0,0]=3 642 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccn1 1458a_100015184508_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,1,0,0,0,0|2,0,0]=3 644 B13R1.348 CN(CC(=O)[O-])Cc1ccccn1 269982a_100000207498_100020667443 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.348 CN(CC(=O)[O-])Cc1cccnc1 269982a_100000184577_100020667443 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.348 CN(CC(=O)[O-])Cc1ccncc1 269982a_100000187231_100020667443 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.348 CN(Cc1ccccc1)C[N+](=O)[O-] 269982a_100000186898_100000761209 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,0|2,0,0]=3 650 B13R1.470 C=CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210623 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.470 C=CCN(C)Cc1ccccc1Br 2230a_100000225617_100000184730 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.470 C=CCN(C)Cc1ccccc1Br 269982a_100000184654_100000210623 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.470 C=CCN(C)Cc1ccccc1Br 269982a_100000225617_100000184730 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.470 C=CCN(C)Cc1ccccc1Br 26a_100000225617_100000181306 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.470 C=CCN(C)Cc1ccccc1Br 270004a_100000225617_100000211189 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000184421_100000210623 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000225617_100000211839 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_200015183989_200000210301 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000184421_100000210623 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000225617_100000211839 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_200015183989_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.470 C=CCN(C)Cc1ccccc1C 270004a_100000225617_100000211143 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.470 C=CCN(C)Cc1ccccc1C 34a_200015183989_200000210301 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210623 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000225617_100000187162 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_200015185268_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210623 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000225617_100000187162 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_200015185268_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.470 C=CCN(C)Cc1ccccc1Cl 26a_100000225617_100000210172 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.470 C=CCN(C)Cc1ccccc1Cl 270004a_100000225617_100000210073 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.470 C=CCN(C)Cc1ccccc1Cl 34a_200015185268_200000210301 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.470 C=CCN(C)Cc1ccccc1F 2230a_100000225617_100000211605 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.470 C=CCN(C)Cc1ccccc1F 2230a_100000742528_100000210623 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.470 C=CCN(C)Cc1ccccc1F 269982a_100000225617_100000211605 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.470 C=CCN(C)Cc1ccccc1F 269982a_100000742528_100000210623 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.470 C=CCN(C)Cc1ccccc1F 270004a_100000225617_100000210811 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.470 C=CCN(C)Cc1ccccc1F 34a_100000742528_100015514636 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.470 C=CCN(C)Cc1ccccc1I 2230a_100000225617_100011215278 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.470 C=CCN(C)Cc1ccccc1I 269982a_100000225617_100011215278 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.470 C=CCN(C)Cc1ccccc1I 270004a_100000225617_100000010305 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.470 C=CCN(C)Cc1ccccc1O 2230a_100015189988_100000210623 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.470 C=CCN(C)Cc1ccccc1O 269982a_100015189988_100000210623 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 2230a_200015183989_200025704644 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 269982a_200015183989_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 34a_200015183989_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 2230a_200015185268_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 269982a_200015185268_200025704644 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 34a_200015185268_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,1,0,0,0,0|1,0,1]=3 691 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,1,0,0,0,0|1,0,1]=3 692 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,1,0,0,0,0|1,0,1]=3 693 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,1,0,0,0,0|1,0,1]=3 694 B13R1.470 CCNC(C)Cc1ncccc1C 270004a_100015525214_100011823981 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.470 CN(CC=O)Cc1ccccc1Br 2230a_100000184654_200015260668 [0,1,0,0,0,0|2,0,0]=3 696 B13R1.470 CN(CC=O)Cc1ccccc1Br 269982a_100000184654_200015260668 [0,1,0,0,0,0|2,0,0]=3 697 B13R1.470 CN(CC=O)Cc1ccccc1Cl 2230a_100000184507_200015260668 [0,1,0,0,0,0|2,0,0]=3 698 B13R1.470 CN(CC=O)Cc1ccccc1Cl 269982a_100000184507_200015260668 [0,1,0,0,0,0|2,0,0]=3 699 B13R1.470 CN(CC=O)Cc1ccccc1F 2230a_100000742528_200015260668 [0,1,0,0,0,0|2,0,0]=3 700 B13R1.470 CN(CC=O)Cc1ccccc1F 269982a_100000742528_200015260668 [0,1,0,0,0,0|2,0,0]=3 701 B13R1.470 CN(CC=O)Cc1ccccc1F 34a_100000742528_200009817547 [0,1,0,0,0,0|2,0,0]=3 702 B13R1.470 CN(CC=O)Cc1ccccc1O 2230a_100015189988_200015260668 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.470 CN(CC=O)Cc1ccccc1O 269982a_100015189988_200015260668 [0,1,0,0,0,0|2,0,0]=3 704 B13R1.470 CN(CC=O)Cc1cccnc1Cl 2230a_103496529121_200015260668 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.470 CN(CC=O)Cc1cccnc1Cl 269982a_103496529121_200015260668 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.470 Cc1ccccc1CN(C)CC=O 2230a_100000184421_200015260668 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.470 Cc1ccccc1CN(C)CC=O 269982a_100000184421_200015260668 [0,1,0,0,0,0|2,0,0]=3 708 B13R1.470 Cc1cnccc1CN(C)CC=O 2230a_100015187836_200015260668 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.470 Cc1cnccc1CN(C)CC=O 269982a_100015187836_200015260668 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.470 Cc1ncccc1CN(C)CC=O 2230a_200011875998_200015260668 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.470 Cc1ncccc1CN(C)CC=O 269982a_200011875998_200015260668 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.1327 CC(C)(Cc1ccccc1)OCF 7a_100011215222_100015361967 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,1,0,0,0,0|2,0,1]=4 714 B13R2.15 Cc1[nH]cnc1c2ccccc2 271570a_100011218836_100009816806 [0,0,0,1,0,0|1,0,2]=4 715 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,0,0,1,0,0|1,0,1]=3 716 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,0,0,1,0,0|1,0,1]=3 717 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,0,0,1,0,0|3,0,0]=4 718 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,0,0,1,0,0|3,0,0]=4 719 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,0,0,1,0,0|1,0,1]=3 720 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,0,0,1,0,0|3,0,0]=4 721 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,0,0,1,0,0|3,0,0]=4 722 B13R2.26 C=CCN1Cc2ccccc2C1 2230a_100000752595_100000210623 [0,0,0,1,0,0|3,0,0]=4 723 B13R2.26 C=CCN1Cc2ccccc2C1 269982a_100000752595_100000210623 [0,0,0,1,0,0|3,0,0]=4 724 B13R2.26 C=CCN1Cc2ccccc2C1 34a_100000752595_100015514636 [0,0,0,1,0,0|3,0,0]=4 725 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,0,0,1,0,0|1,0,1]=3 726 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,0,0,1,0,0|1,0,1]=3 727 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,0,0,1,0,0|2,0,1]=4 728 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,0,0,1,0,0|2,0,1]=4 729 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,0,0,1,0,0|2,0,1]=4 730 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,0,0,1,0,0|3,0,0]=4 731 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,0,0,1,0,0|3,0,0]=4 732 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,0,0,1,0,0|3,0,0]=4 733 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,0,0,1,0,0|1,0,1]=3 734 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,0,0,1,0,0|2,0,1]=4 735 B13R2.26 FCSC1Cc2ccccc2C1 62a_100015361967_100000753484 [0,0,0,1,0,0|2,0,1]=4 736 B13R2.26 O=CCN1Cc2ccccc2C1 2230a_100000752595_200015260668 [0,0,0,1,0,0|2,0,0]=3 737 B13R2.26 O=CCN1Cc2ccccc2C1 269982a_100000752595_200015260668 [0,0,0,1,0,0|2,0,0]=3 738 B13R2.26 O=CCN1Cc2ccccc2C1 34a_100000752595_200009817547 [0,0,0,1,0,0|2,0,0]=3 739 B13R2.26 O=CCN1Cc2cccnc2C1 269982a_100000726175_200015260668 [0,0,0,1,0,0|3,0,0]=4 740 B13R2.26 O=CCN1Cc2ccncc2C1 2230a_100000730608_200015260668 [0,0,0,1,0,0|3,0,0]=4 741 B13R2.26 O=CCN1Cc2ccncc2C1 269982a_100000730608_200015260668 [0,0,0,1,0,0|3,0,0]=4 742 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,0,0,1,0,0|3,0,0]=4 743 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,0,0,1,0,0|3,0,0]=4 744 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,0,0,1,0,0|3,0,0]=4 745 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,0|2,0,0]=3 746 B13R2.31 O=C1CC(C1)Sc2ccccn2 62a_100009894365_100011216584 [0,0,0,1,0,0|3,0,0]=4 747 B13R2.31 O=C1CC(C1)Sc2cccnc2 62a_100009894365_100000210063 [0,0,0,1,0,0|3,0,0]=4 748 B13R2.31 O=C1CC(C1)Sc2ccncc2 62a_100009894365_100000728582 [0,0,0,1,0,0|3,0,0]=4 749 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,1,0,0|1,0,1]=3 750 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,1,0,0|1,0,1]=3 751 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,1,0,0|1,0,1]=3 752 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,0,0,1,0,0|1,0,1]=3 753 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,0,0,1,0,0|1,0,1]=3 754 B13R2.64 C1=CCN(C1)Cc2ccccc2 269982a_100015195280_100000211182 [0,0,0,1,0,0|3,0,0]=4 755 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,0,0,0,1,0|3,0,0]=4 756 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,0,0,0,1,0|3,0,0]=4 757 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,0,0,0,1,0|3,0,0]=4 758 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,0,0,0,1,0|3,0,0]=4 759 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,0,0,0,1,0|3,0,0]=4 760 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,0,0,0,1,0|3,0,0]=4 761 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,0,0,0,1,0|3,0,0]=4 762 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,0,0,0,1,0|3,0,0]=4 763 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,0,0,0,1,0|3,0,0]=4 764 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,0,0,0,1,0|3,0,0]=4 765 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,0,0,0,1,0|3,0,0]=4 766 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,0,0,0,1,0|3,0,0]=4 767 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,0,0,0,1,0|3,0,0]=4 768 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,0,0,0,1,0|3,0,0]=4 769 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,0,0,0,1,0|3,0,0]=4 770 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,0,0,0,1,0|2,0,1]=4 771 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,0,0,0,1,0|2,0,1]=4 772 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,0,0,0,1,0|1,0,1]=3 773 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,0,0,0,1,0|1,0,1]=3 774 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,0,0,0,1,0|2,0,1]=4 775 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,0,0,0,1,0|2,0,1]=4 776 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,0,0,0,1,0|2,0,1]=4 777 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,0,0,0,1,0|2,0,1]=4 778 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,0,0,0,1,0|2,0,1]=4 779 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,0,0,0,1,0|2,0,1]=4 780 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,0,0,0,1,0|1,0,1]=3 781 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,0,0,1,0|2,0,1]=4 782 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,0,0,1,0|2,0,1]=4 783 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,0,0,1,0|2,0,1]=4 784 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,0,0,0,1,0|2,0,1]=4 785 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,0,0,0,1,0|2,0,1]=4 786 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,0,0,0,1,0|2,0,0]=3 787 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,0,0,0,1,0|2,0,0]=3 788 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,0,0,0,1,0|2,0,0]=3 789 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,0,0,0,1,0|3,0,0]=4 790 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,0,0,0,1,0|3,0,0]=4 791 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,0,0,0,1,0|3,0,0]=4 792 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,0,0,0,1,0|3,0,0]=4 793 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,0,0,0,1,0|3,0,0]=4 794 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,0,0,0,1,0|3,0,0]=4 795 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,0,0,0,1,0|3,0,0]=4 796 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,0,0,0,1,0|3,0,0]=4 797 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,0,0,0,1,0|3,0,0]=4 798 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,0,0,0,1,0|3,0,0]=4 799 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,0,0,0,1,0|3,0,0]=4 800 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,0,0,0,1,0|2,0,1]=4 801 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,0,0,0,1,0|2,0,1]=4 802 B11R1.30 CC(Cc1ccsc1)NCF 34a_100000743546_100015361967 [0,0,0,0,1,0|2,0,1]=4 803 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,0,0,0,1,0|2,0,1]=4 804 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,0,0,0,1,0|2,0,1]=4 805 B11R1.30 CCNC(C)Cc1ccsc1 2230a_100000743546_100000210202 [0,0,0,0,1,0|2,0,1]=4 806 B11R1.30 CCNC(C)Cc1ccsc1 34a_100000743546_100000210202 [0,0,0,0,1,0|2,0,1]=4 807 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,0,0,0,1,0|3,0,0]=4 808 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,0,0,0,1,0|3,0,0]=4 809 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [0,0,0,0,1,0|3,0,0]=4 810 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [0,0,0,0,1,0|3,0,0]=4 811 B11R1.30 CN(CC=O)Cc1ccsc1 2230a_100020654213_200015260668 [0,0,0,0,1,0|3,0,0]=4 812 B11R1.30 CN(CC=O)Cc1ccsc1 269982a_100020654213_200015260668 [0,0,0,0,1,0|3,0,0]=4 813 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,0,0,0,0,1|2,0,1]=4 814 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,0,0,0,0,1|2,0,1]=4 815 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,0,0,0,0,1|2,0,0]=3 816 B13R1.42 C/C=C/C(C)OCc1ccccn1 34a_200102604097_100000721315 [0,0,0,0,0,1|3,0,0]=4 817 B13R1.42 C/C=C/C(C)OCc1cccnc1 34a_200102604097_100000733263 [0,0,0,0,0,1|3,0,0]=4 818 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,0,0,0,0,1|3,0,0]=4 820 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,0,0,0,0,1|3,0,0]=4 821 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.42 C=CCN(C)CSc1ccccc1 2230a_100000225617_100011218342 [0,0,0,0,0,1|3,0,0]=4 823 B13R1.42 C=CCN(C)CSc1ccccc1 269982a_100000225617_100011218342 [0,0,0,0,0,1|3,0,0]=4 824 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,0,0,0,0,1|2,0,0]=3 825 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,0,0,0,0,1|2,0,0]=3 826 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 34a_100000731007_100000721315 [0,0,0,0,0,1|3,0,0]=4 827 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 7a_100000731007_100000721315 [0,0,0,0,0,1|3,0,0]=4 828 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 34a_100000731007_100000733263 [0,0,0,0,0,1|3,0,0]=4 829 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 7a_100000731007_100000741622 [0,0,0,0,0,1|3,0,0]=4 830 B13R1.42 C=CC[C@@H](C)OCc1ccncc1 7a_100000731007_100015193705 [0,0,0,0,0,1|3,0,0]=4 831 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,0,0,0,0,1|2,0,1]=4 832 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,0,0,0,0,1|2,0,1]=4 833 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,0,0,0,0,1|2,0,1]=4 834 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,0,0,0,0,1|2,0,1]=4 835 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,0,0,0,0,1|2,0,1]=4 836 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,0,0,0,0,1|2,0,1]=4 837 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,0,0,0,0,1|1,0,2]=4 838 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,0,0,0,0,1|1,0,2]=4 839 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,0,0,0,0,1|1,0,2]=4 840 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,0,0,0,0,1|1,0,2]=4 841 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,0,0,0,0,1|1,0,2]=4 842 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,0,0,0,0,1|1,0,2]=4 843 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,0,0,0,0,1|1,0,1]=3 844 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,0,0,0,0,1|1,0,1]=3 845 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,0,0,0,0,1|2,0,1]=4 846 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,0,0,0,0,1|2,0,1]=4 847 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,0,0,0,0,1|2,0,1]=4 848 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,0,0,0,0,1|2,0,1]=4 849 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,0,0,0,0,1|2,0,1]=4 850 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,0,0,0,0,1|2,0,1]=4 851 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,0,0,0,0,1|2,0,1]=4 852 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,0,0,0,0,1|2,0,1]=4 853 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,0,0,0,0,1|2,0,1]=4 854 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,0,0,0,0,1|2,0,1]=4 855 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,0,0,0,0,1|2,0,1]=4 856 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,0,0,0,0,1|2,0,1]=4 857 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,0,0,0,0,1|2,0,1]=4 858 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,0,0,0,0,1|2,0,1]=4 859 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,0,0,0,0,1|2,0,1]=4 860 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,0,0,0,0,1|2,0,1]=4 861 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,0,0,0,0,1|2,0,1]=4 862 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,0,0,0,0,1|2,0,1]=4 863 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,0,0,0,0,1|2,0,1]=4 864 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,0,0,0,0,1|1,0,1]=3 865 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,0,0,0,0,1|1,0,1]=3 866 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,0,0,0,0,1|1,0,1]=3 867 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,0,0,0,0,1|1,0,1]=3 868 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,0,0,0,0,1|1,0,1]=3 869 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,0,0,0,0,1|1,0,1]=3 870 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,0,0,0,0,1|1,0,1]=3 871 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,0,0,0,0,1|2,0,1]=4 872 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,0,0,0,0,1|2,0,1]=4 873 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,0,0,0,0,1|2,0,1]=4 874 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,0,0,0,0,1|2,0,1]=4 875 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,0,0,0,0,1|2,0,0]=3 876 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,0,0,0,0,1|2,0,0]=3 877 B13R1.42 CN(CC=O)CCc1ccccn1 2230a_100000737206_200015260668 [0,0,0,0,0,1|3,0,0]=4 878 B13R1.42 CN(CC=O)CCc1ccccn1 269982a_100000737206_200015260668 [0,0,0,0,0,1|3,0,0]=4 879 B13R1.42 CN(CC=O)CCc1cccnc1 2230a_100000763209_200015260668 [0,0,0,0,0,1|3,0,0]=4 880 B13R1.42 CN(CC=O)CCc1cccnc1 269982a_100000763209_200015260668 [0,0,0,0,0,1|3,0,0]=4 881 B13R1.42 CN(CC=O)CCc1ccncc1 2230a_100000742850_200015260668 [0,0,0,0,0,1|3,0,0]=4 882 B13R1.42 CN(CC=O)CCc1ccncc1 269982a_100000742850_200015260668 [0,0,0,0,0,1|3,0,0]=4 883 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,0,0,0,0,1|3,0,0]=4 884 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,0,0,0,0,1|3,0,0]=4 885 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,0,0,0,0,1|3,0,0]=4 886 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,0,0,0,0,1|3,0,0]=4 887 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,0,0,0,0,1|3,0,0]=4 888 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,0,0,0,0,1|3,0,0]=4 889 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,0,0,0,0,1|3,0,0]=4 890 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,0,0,0,0,1|3,0,0]=4 891 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,0,0,0,0,1|3,0,0]=4 892 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,0,0,0,0,1|3,0,0]=4 893 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,0,0,0,0,1|3,0,0]=4 894 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,0,0,0,0,1|3,0,0]=4 895 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,0,0,0,0,1|3,0,0]=4 896 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,0,0,0,0,1|2,0,1]=4 897 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,0,0,0,0,1|2,0,1]=4 898 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,0,0,0,0,1|2,0,1]=4 899 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,0,0,0,0,1|2,0,1]=4 900 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,0,0,0,0,1|1,0,2]=4 901 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,0,0,0,0,1|1,0,2]=4 902 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,0,0,0,0,1|1,0,2]=4 903 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,1|1,0,2]=4 904 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,0,0,0,0,1|3,0,0]=4 905 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|2,0,0]=4 906 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 907 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 908 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|2,0,0]=4 909 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|2,0,0]=4 910 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,1]=4 911 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 912 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 913 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,1]=4 914 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 915 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 916 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|0,0,1]=3 917 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|0,0,1]=3 918 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|0,0,1]=3 919 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|0,0,1]=3 920 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|0,0,1]=3 921 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|1,0,1]=4 922 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|1,0,1]=4 923 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|1,0,1]=4 924 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|1,0,1]=4 925 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|1,0,1]=4 926 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|1,0,1]=4 927 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|1,0,1]=4 928 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|1,0,1]=4 929 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 930 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,1]=4 931 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,1]=4 932 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,1]=4 933 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,1]=4 934 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [2,0,0,0,0,0|1,0,1]=4 935 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 936 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,0]=3 937 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,0]=3 938 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|2,0,0]=4 939 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|2,0,0]=4 940 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|2,0,0]=4 941 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,0]=3 942 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,0]=3 943 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|2,0,0]=4 944 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|2,0,0]=4 945 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|2,0,0]=4 946 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|2,0,0]=4 947 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|2,0,0]=4 948 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|2,0,0]=4 949 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|0,0,1]=3 950 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|0,0,1]=3 951 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|1,0,1]=4 952 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 953 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,1]=4 954 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,1]=4 955 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,1]=4 956 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|1,0,1]=4 957 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|0,0,1]=3 958 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|1,0,1]=4 959 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|1,0,1]=4 960 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|1,0,1]=4 961 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|1,0,1]=4 962 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|1,0,1]=4 963 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|1,0,1]=4 964 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|1,0,1]=4 965 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|1,0,1]=4 966 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|1,0,1]=4 967 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [2,0,0,0,0,0|1,0,1]=4 968 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [2,0,0,0,0,0|1,0,1]=4 969 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [2,0,0,0,0,0|1,0,1]=4 970 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [2,0,0,0,0,0|1,0,1]=4 971 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [2,0,0,0,0,0|1,0,1]=4 972 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [2,0,0,0,0,0|1,0,1]=4 973 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [2,0,0,0,0,0|1,0,1]=4 974 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [2,0,0,0,0,0|1,0,1]=4 975 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [2,0,0,0,0,0|1,0,1]=4 976 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [2,0,0,0,0,0|1,0,1]=4 977 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [2,0,0,0,0,0|1,0,1]=4 978 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [2,0,0,0,0,0|1,0,1]=4 979 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|1,0,1]=4 980 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|1,0,1]=4 981 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|1,0,1]=4 982 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [1,1,0,0,0,0|1,0,1]=4 983 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [1,1,0,0,0,0|1,0,1]=4 984 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [1,1,0,0,0,0|1,0,1]=4 985 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [1,1,0,0,0,0|1,0,1]=4 986 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [1,1,0,0,0,0|1,0,1]=4 987 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [1,1,0,0,0,0|1,0,1]=4 988 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [1,1,0,0,0,0|1,0,1]=4 989 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [1,1,0,0,0,0|1,0,1]=4 990 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [1,1,0,0,0,0|1,0,1]=4 991 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [1,1,0,0,0,0|1,0,1]=4 992 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [1,1,0,0,0,0|1,0,1]=4 993 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [1,1,0,0,0,0|1,0,1]=4 994 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [1,1,0,0,0,0|1,0,1]=4 995 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [1,1,0,0,0,0|1,0,1]=4 996 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [1,1,0,0,0,0|1,0,1]=4 997 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [1,1,0,0,0,0|1,0,1]=4 1004 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [1,1,0,0,0,0|1,0,1]=4 1005 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [1,1,0,0,0,0|1,0,1]=4 1006 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|0,0,0]=2 1032 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [1,1,0,0,0,0|1,0,1]=4 1033 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [1,1,0,0,0,0|1,0,1]=4 1034 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [1,1,0,0,0,0|1,0,1]=4 1035 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [1,1,0,0,0,0|2,0,0]=4 1038 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [1,1,0,0,0,0|2,0,0]=4 1051 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [1,1,0,0,0,0|1,0,0]=3 1058 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [1,1,0,0,0,0|1,0,0]=3 1059 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [1,1,0,0,0,0|1,0,0]=3 1060 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [1,1,0,0,0,0|2,0,0]=4 1068 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [1,1,0,0,0,0|2,0,0]=4 1069 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [1,1,0,0,0,0|2,0,0]=4 1074 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [1,1,0,0,0,0|2,0,0]=4 1075 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [1,1,0,0,0,0|2,0,0]=4 1076 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [1,1,0,0,0,0|2,0,0]=4 1077 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [1,1,0,0,0,0|2,0,0]=4 1078 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [1,1,0,0,0,0|1,0,0]=3 1082 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 1083 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,1,0,0,0,0|1,0,1]=4 1086 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [1,1,0,0,0,0|1,0,1]=4 1089 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [1,1,0,0,0,0|1,0,1]=4 1090 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [1,1,0,0,0,0|1,0,1]=4 1091 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [1,1,0,0,0,0|1,0,1]=4 1092 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [1,1,0,0,0,0|1,0,1]=4 1093 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [1,1,0,0,0,0|1,0,1]=4 1094 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [1,1,0,0,0,0|1,0,1]=4 1095 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,1,0,0,0,0|0,0,2]=4 1096 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [1,1,0,0,0,0|0,1,1]=4 1097 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [1,1,0,0,0,0|0,1,1]=4 1098 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 1099 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 1100 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [1,1,0,0,0,0|1,0,1]=4 1101 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [1,1,0,0,0,0|1,0,1]=4 1102 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [1,1,0,0,0,0|1,0,1]=4 1103 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [1,1,0,0,0,0|1,0,1]=4 1104 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [1,1,0,0,0,0|1,0,0]=3 1105 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [1,1,0,0,0,0|1,0,0]=3 1108 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [1,1,0,0,0,0|0,0,0]=2 1115 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [1,1,0,0,0,0|0,0,0]=2 1116 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [1,1,0,0,0,0|1,0,0]=3 1118 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [1,1,0,0,0,0|1,0,0]=3 1119 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [1,1,0,0,0,0|2,0,0]=4 1122 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [1,1,0,0,0,0|1,0,0]=3 1123 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [1,1,0,0,0,0|2,0,0]=4 1125 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [1,1,0,0,0,0|2,0,0]=4 1126 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [1,1,0,0,0,0|2,0,0]=4 1128 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [1,1,0,0,0,0|2,0,0]=4 1129 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [1,1,0,0,0,0|2,0,0]=4 1130 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [1,1,0,0,0,0|2,0,0]=4 1131 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [1,1,0,0,0,0|2,0,0]=4 1132 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,1,0,0,0,0|0,0,2]=4 1133 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,1,0,0,0,0|0,0,2]=4 1134 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,1,0,0,0,0|0,0,2]=4 1135 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,1,0,0,0,0|0,0,2]=4 1136 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [1,1,0,0,0,0|1,0,1]=4 1138 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [1,1,0,0,0,0|1,0,1]=4 1139 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1140 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [1,1,0,0,0,0|1,0,1]=4 1141 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [1,1,0,0,0,0|1,0,1]=4 1142 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1143 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1144 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1145 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [1,1,0,0,0,0|1,0,1]=4 1146 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [1,1,0,0,0,0|1,0,1]=4 1147 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [1,1,0,0,0,0|1,0,1]=4 1148 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [1,1,0,0,0,0|1,0,1]=4 1149 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [1,1,0,0,0,0|1,0,1]=4 1150 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [1,1,0,0,0,0|1,0,1]=4 1151 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [1,1,0,0,0,0|1,0,1]=4 1152 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [1,1,0,0,0,0|1,0,1]=4 1153 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [1,1,0,0,0,0|1,0,1]=4 1154 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [1,1,0,0,0,0|1,0,1]=4 1155 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [1,1,0,0,0,0|1,0,1]=4 1156 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [1,1,0,0,0,0|1,0,1]=4 1157 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [1,1,0,0,0,0|1,0,1]=4 1158 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [1,1,0,0,0,0|1,0,1]=4 1159 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [1,1,0,0,0,0|1,0,1]=4 1160 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [1,1,0,0,0,0|1,0,1]=4 1161 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [1,1,0,0,0,0|1,0,1]=4 1168 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [1,1,0,0,0,0|1,0,1]=4 1169 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [1,1,0,0,0,0|1,0,1]=4 1170 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [1,1,0,0,0,0|2,0,0]=4 1177 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [1,1,0,0,0,0|2,0,0]=4 1178 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [1,1,0,0,0,0|2,0,0]=4 1179 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|2,0,0]=4 1180 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|2,0,0]=4 1181 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [1,1,0,0,0,0|2,0,0]=4 1182 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [1,1,0,0,0,0|2,0,0]=4 1183 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [1,1,0,0,0,0|2,0,0]=4 1184 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [1,1,0,0,0,0|2,0,0]=4 1190 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [1,1,0,0,0,0|2,0,0]=4 1193 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [1,1,0,0,0,0|2,0,0]=4 1194 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|2,0,0]=4 1198 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [1,1,0,0,0,0|1,0,1]=4 1200 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|1,0,1]=4 1201 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,1]=4 1204 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,1]=4 1205 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,1]=4 1206 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,1]=4 1207 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,1,0,0,0,0|1,0,1]=4 1208 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,1,0,0,0,0|1,0,1]=4 1209 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,1,0,0,0,0|1,0,1]=4 1210 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,1,0,0,0,0|1,0,0]=3 1214 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,1,0,0,0,0|1,0,0]=3 1215 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,1,0,0,0,0|2,0,0]=4 1220 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,1,0,0,0,0|2,0,0]=4 1221 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1222 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,1,0,0,0,0|2,0,0]=4 1223 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,1,0,0,0,0|2,0,0]=4 1224 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,1,0,0,0,0|0,0,0]=2 1229 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,1,0,0,0,0|0,0,0]=2 1230 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,1,0,0,0,0|0,0,0]=2 1231 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,1,0,0,0,0|0,0,0]=2 1232 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [1,1,0,0,0,0|1,0,0]=3 1233 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [1,1,0,0,0,0|1,0,0]=3 1237 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [1,1,0,0,0,0|1,0,0]=3 1239 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [1,1,0,0,0,0|1,0,0]=3 1240 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [1,1,0,0,0,0|1,0,0]=3 1241 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [1,1,0,0,0,0|1,0,0]=3 1242 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [1,1,0,0,0,0|1,0,0]=3 1243 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [1,1,0,0,0,0|1,0,0]=3 1244 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [1,1,0,0,0,0|2,0,0]=4 1245 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [1,1,0,0,0,0|2,0,0]=4 1246 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [1,1,0,0,0,0|2,0,0]=4 1248 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,1,0,0,0,0|1,0,1]=4 1249 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,1,0,0,0,0|1,0,0]=3 1250 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [1,1,0,0,0,0|1,0,1]=4 1258 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [1,1,0,0,0,0|1,0,1]=4 1259 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [1,1,0,0,0,0|1,0,1]=4 1260 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,1,0,0,0,0|2,0,0]=4 1273 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,1,0,0,0,0|2,0,0]=4 1275 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,1,0,0,0,0|1,0,0]=3 1279 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,1,0,0,0,0|2,0,0]=4 1284 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [1,1,0,0,0,0|1,0,1]=4 1286 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [1,1,0,0,0,0|1,0,1]=4 1287 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [1,1,0,0,0,0|1,0,1]=4 1288 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [1,1,0,0,0,0|1,0,1]=4 1289 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [1,1,0,0,0,0|1,0,1]=4 1290 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [1,1,0,0,0,0|1,0,1]=4 1291 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [1,1,0,0,0,0|1,0,1]=4 1292 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [1,1,0,0,0,0|1,0,1]=4 1293 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [1,1,0,0,0,0|1,0,1]=4 1294 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [1,1,0,0,0,0|1,0,1]=4 1295 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [1,1,0,0,0,0|1,0,1]=4 1296 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [1,1,0,0,0,0|1,0,1]=4 1297 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [1,1,0,0,0,0|1,0,1]=4 1298 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [1,1,0,0,0,0|1,0,1]=4 1299 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [1,1,0,0,0,0|1,0,1]=4 1300 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [1,1,0,0,0,0|1,0,1]=4 1306 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [1,1,0,0,0,0|1,0,1]=4 1307 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [1,1,0,0,0,0|1,0,1]=4 1308 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [1,1,0,0,0,0|2,0,0]=4 1310 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [1,1,0,0,0,0|2,0,0]=4 1316 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [1,1,0,0,0,0|2,0,0]=4 1317 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [1,1,0,0,0,0|2,0,0]=4 1319 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [1,1,0,0,0,0|2,0,0]=4 1320 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [1,1,0,0,0,0|1,0,1]=4 1332 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 1334 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 1335 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|1,0,1]=4 1336 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|1,0,1]=4 1337 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,1,0,0,0,0|0,0,2]=4 1338 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,1,0,0,0,0|0,0,2]=4 1339 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|0,0,0]=2 1340 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|0,0,0]=2 1341 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1342 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|1,0,0]=3 1343 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|1,0,0]=3 1344 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [1,1,0,0,0,0|2,0,0]=4 1345 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|1,0,0]=3 1346 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|1,0,0]=3 1347 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|1,0,0]=3 1348 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [1,1,0,0,0,0|2,0,0]=4 1353 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [1,1,0,0,0,0|2,0,0]=4 1354 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1356 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1357 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1358 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|1,0,0]=3 1359 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [1,1,0,0,0,0|2,0,0]=4 1360 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [1,1,0,0,0,0|2,0,0]=4 1361 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [1,1,0,0,0,0|2,0,0]=4 1362 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [1,1,0,0,0,0|2,0,0]=4 1363 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [1,1,0,0,0,0|2,0,0]=4 1364 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [1,1,0,0,0,0|2,0,0]=4 1367 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|1,0,0]=3 1369 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [1,1,0,0,0,0|1,0,1]=4 1370 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|0,0,0]=2 1371 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [1,1,0,0,0,0|0,0,1]=3 1372 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1373 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [1,1,0,0,0,0|1,0,1]=4 1374 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [1,1,0,0,0,0|1,0,1]=4 1375 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [1,1,0,0,0,0|1,0,1]=4 1376 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [1,1,0,0,0,0|1,0,1]=4 1377 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [1,1,0,0,0,0|1,0,1]=4 1378 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [1,1,0,0,0,0|1,0,1]=4 1379 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,1,0,0,0,0|1,0,0]=3 1380 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,1,0,0,0,0|1,0,0]=3 1381 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,1,0,0,0,0|1,0,0]=3 1382 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|1,0,0]=3 1383 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [1,1,0,0,0,0|2,0,0]=4 1384 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [1,1,0,0,0,0|2,0,0]=4 1386 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,1,0,0,0,0|1,0,0]=3 1387 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,1,0,0,0,0|1,0,0]=3 1388 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|1,0,0]=3 1389 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [1,1,0,0,0,0|2,0,0]=4 1393 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [1,1,0,0,0,0|2,0,0]=4 1394 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [1,1,0,0,0,0|2,0,0]=4 1395 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [1,1,0,0,0,0|2,0,0]=4 1396 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,1,0,0,0,0|2,0,0]=4 1398 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [1,1,0,0,0,0|2,0,0]=4 1404 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|1,0,0]=3 1406 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [1,1,0,0,0,0|1,0,1]=4 1413 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [1,1,0,0,0,0|1,0,1]=4 1414 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [1,1,0,0,0,0|0,0,1]=3 1415 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [1,1,0,0,0,0|0,0,1]=3 1416 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [1,1,0,0,0,0|0,0,1]=3 1417 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [1,1,0,0,0,0|0,0,1]=3 1418 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [1,1,0,0,0,0|0,0,1]=3 1419 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [1,1,0,0,0,0|0,0,1]=3 1420 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [1,1,0,0,0,0|0,0,1]=3 1421 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [1,1,0,0,0,0|0,0,1]=3 1422 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [1,1,0,0,0,0|0,0,1]=3 1423 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [1,1,0,0,0,0|2,0,0]=4 1426 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [1,1,0,0,0,0|2,0,0]=4 1427 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [1,1,0,0,0,0|2,0,0]=4 1428 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [1,1,0,0,0,0|2,0,0]=4 1429 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [1,1,0,0,0,0|2,0,0]=4 1430 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [1,1,0,0,0,0|2,0,0]=4 1431 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [1,1,0,0,0,0|2,0,0]=4 1432 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [1,1,0,0,0,0|1,0,1]=4 1433 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [1,1,0,0,0,0|0,0,1]=3 1434 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [1,1,0,0,0,0|0,0,1]=3 1435 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [1,1,0,0,0,0|0,0,1]=3 1436 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1437 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1438 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1439 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1440 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [1,1,0,0,0,0|0,0,1]=3 1441 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [1,1,0,0,0,0|1,0,1]=4 1442 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [1,1,0,0,0,0|1,0,1]=4 1443 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [1,1,0,0,0,0|0,0,2]=4 1444 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [1,1,0,0,0,0|0,0,2]=4 1445 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [1,1,0,0,0,0|0,0,1]=3 1446 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [1,1,0,0,0,0|1,0,1]=4 1447 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1448 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1449 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1450 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [1,1,0,0,0,0|1,0,1]=4 1451 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [1,1,0,0,0,0|1,0,1]=4 1452 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [1,1,0,0,0,0|1,0,1]=4 1453 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [1,1,0,0,0,0|1,0,1]=4 1454 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [1,1,0,0,0,0|1,0,1]=4 1455 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [1,1,0,0,0,0|1,0,1]=4 1456 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [1,1,0,0,0,0|0,0,2]=4 1457 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [1,1,0,0,0,0|0,0,1]=3 1458 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [1,1,0,0,0,0|1,0,1]=4 1459 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1460 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1461 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1462 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [1,1,0,0,0,0|1,0,1]=4 1463 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [1,1,0,0,0,0|1,0,1]=4 1464 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [1,1,0,0,0,0|1,0,1]=4 1465 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [1,1,0,0,0,0|1,0,1]=4 1466 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [1,1,0,0,0,0|2,0,0]=4 1467 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [1,1,0,0,0,0|2,0,0]=4 1468 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [1,1,0,0,0,0|2,0,0]=4 1469 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [1,1,0,0,0,0|2,0,0]=4 1470 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [1,1,0,0,0,0|2,0,0]=4 1471 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [1,1,0,0,0,0|2,0,0]=4 1472 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [1,1,0,0,0,0|0,0,1]=3 1473 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [1,1,0,0,0,0|0,0,1]=3 1474 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [1,1,0,0,0,0|0,0,1]=3 1475 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [1,1,0,0,0,0|0,0,1]=3 1476 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [1,1,0,0,0,0|1,0,1]=4 1477 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,1,0|2,0,0]=4 1478 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,1,0|2,0,0]=4 1479 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,1,0|2,0,0]=4 1480 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,1,0|2,0,0]=4 1481 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,1,0,0,1,0|2,0,0]=4 1482 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,1,0,0,1,0|2,0,0]=4 1483 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,1,0,0,1,0|2,0,0]=4 1484 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,1,0|1,0,1]=4 1485 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,1,0|1,0,1]=4 1486 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,0,0,1,0|1,0,1]=4 1487 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,1,0|1,0,1]=4 1488 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,1,0|1,0,1]=4 1489 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,0,0,1,0|1,0,1]=4 1490 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,0,0,1,0|1,0,1]=4 1491 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,0,0,1,0|1,0,1]=4 1492 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,0,0,1,0|1,0,1]=4 1493 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,1,0|1,0,1]=4 1494 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,1,0|1,0,1]=4 1495 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,0,0,1,0|1,0,1]=4 1496 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,0,0,1,0|1,0,1]=4 1497 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,0,0,1,0|1,0,1]=4 1498 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,0,0,1,0|1,0,1]=4 1499 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,0,0,1,0|1,0,1]=4 1500 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,0,0,1,0|1,0,1]=4 1501 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,1,0|1,0,1]=4 1502 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,0,0,1,0|1,0,1]=4 1503 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,0,0,1,0|1,0,1]=4 1504 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,0,0,1,0|1,0,1]=4 1505 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,1,0|1,0,1]=4 1506 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,1,0|1,0,1]=4 1507 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,1,0,0,1,0|2,0,0]=4 1508 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,1,0,0,1,0|2,0,0]=4 1509 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,1,0,0,1,0|2,0,0]=4 1510 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,1,0,0,1,0|2,0,0]=4 1511 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,1,0,0,1,0|2,0,0]=4 1512 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,1,0,0,1,0|2,0,0]=4 1513 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,1,0,0,1,0|2,0,0]=4 1514 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,1,0,0,1,0|2,0,0]=4 1515 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,1,0,0,1,0|2,0,0]=4 1516 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,1,0,0,1,0|2,0,0]=4 1517 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,1,0,0,1,0|2,0,0]=4 1518 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,1,0,0,1,0|2,0,0]=4 1519 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,1,0,0,1,0|2,0,0]=4 1520 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,1,0,0,1,0|2,0,0]=4 1521 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,0,0,1,0|1,0,1]=4 1522 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,1,0,0,1,0|1,0,1]=4 1523 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,1,0,0,1,0|2,0,0]=4 1524 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,1,0,0,1,0|2,0,0]=4 1525 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,1,0,0,1,0|2,0,0]=4 1526 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,1,0,0,1,0|1,0,1]=4 1527 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,1,0,0,1,0|1,0,1]=4 1528 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,1,0,0,1,0|1,0,1]=4 1529 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,1,0,0,1,0|1,0,1]=4 1530 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,1,0,0,1,0|1,0,1]=4 1531 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,1,0,0,1,0|1,0,1]=4 1532 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,1,0,0,1,0|1,0,1]=4 1533 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,1,0,0,1,0|1,0,1]=4 1534 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,1,0,0,1,0|1,0,1]=4 1535 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,1,0,0,1,0|1,0,1]=4 1536 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,1,0,0,1,0|1,0,1]=4 1537 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,1,0,0,1,0|1,0,1]=4 1538 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,1,0,0,1,0|1,0,1]=4 1539 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,1,0,0,1,0|1,0,1]=4 1540 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,1,0,0,1,0|1,0,1]=4 1541 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,1,0,0,1,0|1,0,1]=4 1542 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,1,0,0,1,0|2,0,0]=4 1543 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,1,0,0,1,0|2,0,0]=4 1544 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,1,0,0,1,0|2,0,0]=4 1545 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,1,0,0,1,0|2,0,0]=4 1546 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,1,0,0,1,0|2,0,0]=4 1547 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,1,0,0,1,0|2,0,0]=4 1548 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,1,0,0,1,0|2,0,0]=4 1549 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,1,0,0,1,0|2,0,0]=4 1550 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,1,0,0,1,0|2,0,0]=4 1551 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,1,0,0,1,0|2,0,0]=4 1552 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,1,0,0,1,0|2,0,0]=4 1553 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,1,0,0,1,0|2,0,0]=4 1554 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,1,0,0,1,0|2,0,0]=4 1555 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,1,0,0,1,0|2,0,0]=4 1556 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,1,0,0,1,0|2,0,0]=4 1557 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,1,0,0,1,0|1,0,1]=4 1558 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,1,0,0,1,0|2,0,0]=4 1559 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,1,0,0,1,0|2,0,0]=4 1560 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,1,0,0,1,0|2,0,0]=4 1561 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,1,0,0,1,0|1,0,1]=4 1562 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,1,0,0,1,0|1,0,1]=4 1563 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,1,0,0,1,0|1,0,1]=4 1564 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,1,0|1,0,1]=4 1565 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,1,0|1,0,1]=4 1566 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,1,0|1,0,0]=3 1567 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,1,0|1,0,0]=3 1568 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,1,0|2,0,0]=4 1569 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,1,0|2,0,0]=4 1570 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,1,0|2,0,0]=4 1571 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,1,0|2,0,0]=4 1572 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,1,0|1,0,0]=3 1573 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,1,0|1,0,0]=3 1574 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,1,0|1,0,0]=3 1575 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,1,0|1,0,0]=3 1576 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,1,0|1,0,0]=3 1577 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,1,0|1,0,0]=3 1578 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,1,0|1,0,0]=3 1579 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,1,0|1,0,0]=3 1580 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,1,0|1,0,0]=3 1581 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,1,0,0,1,0|2,0,0]=4 1582 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,1,0,0,1,0|2,0,0]=4 1583 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,1,0,0,1,0|2,0,0]=4 1584 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,1,0,0,1,0|2,0,0]=4 1585 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,1,0|0,0,0]=2 1586 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,1,0|0,0,0]=2 1587 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,1,0|0,0,0]=2 1588 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,1,0|0,0,0]=2 1589 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,1,0,0,1,0|2,0,0]=4 1590 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,1,0,0,1,0|2,0,0]=4 1591 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,1,0,0,1,0|2,0,0]=4 1592 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,1,0|1,0,1]=4 1593 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,1,0|1,0,1]=4 1594 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,1,0|1,0,1]=4 1595 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,1,0|1,0,0]=3 1596 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,1,0|2,0,0]=4 1597 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 1598 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 1599 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 1600 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 1601 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,1,0|2,0,0]=4 1602 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,1,0|2,0,0]=4 1603 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,1,0|2,0,0]=4 1604 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,1,0|2,0,0]=4 1605 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,1,0|2,0,0]=4 1606 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 1607 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 1608 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,1,0|2,0,0]=4 1609 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,1,0,0,1,0|1,0,1]=4 1610 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,1,0,0,1,0|1,0,1]=4 1611 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,0,0,1,0|1,0,1]=4 1612 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,0,0,1,0|1,0,1]=4 1613 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,0,0,1,0|1,0,1]=4 1614 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,0,0,1,0|1,0,1]=4 1615 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,0,0,1,0|1,0,1]=4 1616 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,0,0,1,0|1,0,1]=4 1617 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,0,0,1,0|1,0,1]=4 1618 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,0,0,1,0|1,0,1]=4 1619 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,0,0,1,0|1,0,1]=4 1620 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,0,0,1,0|1,0,1]=4 1621 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,0,0,1,0|1,0,1]=4 1622 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,0,0,1,0|1,0,1]=4 1623 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,0,0,1,0|1,0,1]=4 1624 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,0,0,1,0|1,0,1]=4 1625 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,1,0|1,0,1]=4 1626 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,1,0,0,1,0|2,0,0]=4 1627 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,1,0,0,1,0|2,0,0]=4 1628 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,1,0,0,1,0|2,0,0]=4 1629 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,1,0,0,1,0|2,0,0]=4 1630 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,1,0,0,1,0|2,0,0]=4 1631 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,1,0,0,1,0|2,0,0]=4 1632 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,1,0,0,1,0|2,0,0]=4 1633 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,1,0,0,1,0|2,0,0]=4 1634 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,1,0,0,1,0|2,0,0]=4 1635 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,1,0,0,1,0|2,0,0]=4 1636 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,1,0,0,1,0|1,0,1]=4 1637 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,1,0,0,1,0|2,0,0]=4 1638 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,1,0,0,1,0|2,0,0]=4 1639 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,1,0,0,1,0|2,0,0]=4 1640 B12R1.53 C=CCNC(C)Cc1ccco1 270004a_100020586998_100011216958 [0,1,0,0,1,0|2,0,0]=4 1641 B12R1.53 C=CCNC(C)Cc1cccs1 2230a_100000751415_100000210623 [0,1,0,0,1,0|2,0,0]=4 1642 B12R1.53 C=CCNC(C)Cc1ccsc1 2230a_100000743546_100000210623 [0,1,0,0,1,0|2,0,0]=4 1643 B12R1.53 C=CCNC(C)Cc1ccsc1 34a_100000743546_100015514636 [0,1,0,0,1,0|2,0,0]=4 1644 B12R1.53 CC(Cc1ccco1)OCC=O 34a_100011803939_200009817547 [0,1,0,0,1,0|2,0,0]=4 1645 B12R1.53 CC(Cc1ccco1)OCC=O 7a_100011803939_200015260668 [0,1,0,0,1,0|2,0,0]=4 1646 B12R1.53 CC(Cc1cccs1)NCC=O 2230a_100000751415_200015260668 [0,1,0,0,1,0|1,0,0]=3 1647 B12R1.53 CC(Cc1ccsc1)NCC=O 2230a_100000743546_200015260668 [0,1,0,0,1,0|1,0,0]=3 1648 B12R1.53 CC(Cc1ccsc1)NCC=O 34a_100000743546_200009817547 [0,1,0,0,1,0|1,0,0]=3 1649 B12R1.53 CC(Cn1cccn1)NCC=O 2230a_100000738251_200015260668 [0,1,0,0,1,0|2,0,0]=4 1650 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,1,0|1,0,0]=3 1651 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,1,0|1,0,0]=3 1652 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,1,0|1,0,0]=3 1653 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,1,0|1,0,0]=3 1654 B12R1.260 CC(=O)NC(C)Cc1ccsc1 11a_100000743546_100015343762 [0,1,0,0,1,0|1,0,0]=3 1655 B12R1.260 CC(=O)NC(C)Cc1ccsc1 1626a_100000743546_100015343762 [0,1,0,0,1,0|1,0,0]=3 1656 B12R1.260 CC(=O)NC(C)Cc1ccsc1 240690a_100000743546_100015343762 [0,1,0,0,1,0|1,0,0]=3 1657 B12R1.260 CC(=O)NC(C)Cc1ccsc1 527a_100000743546_100103153847 [0,1,0,0,1,0|1,0,0]=3 1658 B12R1.260 CC(=O)NC(C)Cn1cccn1 11a_100000738251_100015343762 [0,1,0,0,1,0|2,0,0]=4 1659 B12R1.260 CC(=O)NC(C)Cn1cccn1 1626a_100000738251_100015343762 [0,1,0,0,1,0|2,0,0]=4 1660 B12R1.260 CC(=O)NC(C)Cn1cccn1 240690a_100000738251_100015343762 [0,1,0,0,1,0|2,0,0]=4 1661 B12R1.260 CC(=O)NC(C)Cn1cccn1 527a_100000738251_100103153847 [0,1,0,0,1,0|2,0,0]=4 1662 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 34a_200102604097_100000211855 [0,1,0,0,0,1|2,0,0]=4 1663 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 34a_100000731007_100000211855 [0,1,0,0,0,1|2,0,0]=4 1664 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 7a_100000731007_100000230085 [0,1,0,0,0,1|2,0,0]=4 1665 B14R1.29 CN(CC=O)CC(O)c1ccccc1 2230a_100000227976_200015260668 [0,1,0,0,0,1|2,0,0]=4 1666 B14R1.29 CN(CC=O)CC(O)c1ccccc1 269982a_100000227976_200015260668 [0,1,0,0,0,1|2,0,0]=4 1667 B14R1.32 C/C=C/C(C)OCc1cccc(c1)Br 34a_200102604097_100000698116 [0,1,0,0,0,1|2,0,0]=4 1668 B14R1.32 C/C=C/C(C)OCc1cccc(c1)C 34a_200102604097_100000211840 [0,1,0,0,0,1|2,0,0]=4 1669 B14R1.32 C/C=C/C(C)OCc1cccc(c1)Cl 34a_200102604097_100000187163 [0,1,0,0,0,1|2,0,0]=4 1670 B14R1.32 C/C=C/C(C)OCc1cccc(c1)F 34a_200102604097_100000187166 [0,1,0,0,0,1|2,0,0]=4 1671 B14R1.32 C/C=C/C(C)OCc1cccc(c1)I 34a_200102604097_100011218688 [0,1,0,0,0,1|2,0,0]=4 1672 B14R1.32 C/C=C/C(C)OCc1cccc(c1)O 34a_200102604097_100011660834 [0,1,0,0,0,1|2,0,0]=4 1673 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Br 34a_100000731007_100000698116 [0,1,0,0,0,1|2,0,0]=4 1674 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Br 7a_100000731007_100000211773 [0,1,0,0,0,1|2,0,0]=4 1675 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)C 34a_100000731007_100000211840 [0,1,0,0,0,1|2,0,0]=4 1676 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)C 7a_100000731007_100000211840 [0,1,0,0,0,1|2,0,0]=4 1677 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Cl 34a_100000731007_100000187163 [0,1,0,0,0,1|2,0,0]=4 1678 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Cl 7a_100000731007_100000187163 [0,1,0,0,0,1|2,0,0]=4 1679 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)F 34a_100000731007_100000187166 [0,1,0,0,0,1|2,0,0]=4 1680 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)F 7a_100000731007_100000230114 [0,1,0,0,0,1|2,0,0]=4 1681 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)I 34a_100000731007_100011218688 [0,1,0,0,0,1|2,0,0]=4 1682 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)I 7a_100000731007_100011218688 [0,1,0,0,0,1|2,0,0]=4 1683 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)O 34a_100000731007_100011660834 [0,1,0,0,0,1|2,0,0]=4 1684 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)O 7a_100000731007_100000084143 [0,1,0,0,0,1|2,0,0]=4 1685 B14R1.32 CCNC(C)CCc1cccc(c1)Br 270004a_100015525214_100011279149 [0,1,0,0,0,1|1,0,1]=4 1686 B14R1.32 CCNC(C)CCc1cccc(c1)F 270004a_100015525214_100000743863 [0,1,0,0,0,1|1,0,1]=4 1687 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 2230a_106726388433_200015260668 [0,1,0,0,0,1|2,0,0]=4 1688 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 269982a_106726388433_200015260668 [0,1,0,0,0,1|2,0,0]=4 1689 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 34a_106726388433_200009817547 [0,1,0,0,0,1|2,0,0]=4 1690 B14R1.32 CN(CC=O)CCc1cccc(c1)F 2230a_106726388868_200015260668 [0,1,0,0,0,1|2,0,0]=4 1691 B14R1.32 CN(CC=O)CCc1cccc(c1)F 269982a_106726388868_200015260668 [0,1,0,0,0,1|2,0,0]=4 1692 B14R1.32 CN(CC=O)CCc1cccc(c1)F 34a_106726388868_200009817547 [0,1,0,0,0,1|2,0,0]=4 1693 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 2230a_114849113767_200015260668 [0,1,0,0,0,1|2,0,0]=4 1694 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 269982a_114849113767_200015260668 [0,1,0,0,0,1|2,0,0]=4 1695 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 34a_114849113767_200009817547 [0,1,0,0,0,1|2,0,0]=4 1696 B14R1.60 C=CCC(C)C(=O)Cc1ccccc1 1458a_100011216819_100015291786 [0,1,0,0,0,1|2,0,0]=4 1697 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,1,0,0,0,1|1,0,1]=4 1698 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,1,0,0,0,1|1,0,1]=4 1699 B14R1.60 CCNC(C)C(C)Oc1ccccc1 270004a_100015525214_100000150574 [0,1,0,0,0,1|1,0,1]=4 1700 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [0,1,0,0,0,1|1,0,1]=4 1701 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [0,1,0,0,0,1|1,0,1]=4 1702 B14R1.156 C#CCNC(C)COc1ccccc1 2230a_100000746794_100000038162 [0,1,0,0,0,1|1,0,1]=4 1703 B14R1.156 C#CCNC(C)COc1ccccc1 34a_100000746794_100000184674 [0,1,0,0,0,1|1,0,1]=4 1704 B14R1.156 C=CCCC(C)NCc1ccccc1 270004a_100015324214_100000762624 [0,1,0,0,0,1|2,0,0]=4 1705 B14R1.156 C=CCCC(C)OCc1ccccc1 34a_100000765329_100015291786 [0,1,0,0,0,1|2,0,0]=4 1706 B14R1.156 C=CCCC(C)OCc1ccccc1 7a_100000765329_100000211182 [0,1,0,0,0,1|2,0,0]=4 1707 B14R1.156 C=CCNC(C)CCc1ccccc1 2230a_100000210798_100000210623 [0,1,0,0,0,1|1,0,0]=3 1708 B14R1.156 C=CCNC(C)CCc1ccccc1 270004a_100020586998_100000210092 [0,1,0,0,0,1|1,0,0]=3 1709 B14R1.156 C=CCNC(C)CCc1ccccc1 34a_100000210798_100015514636 [0,1,0,0,0,1|1,0,0]=3 1710 B14R1.156 C=CCNC(C)COc1ccccc1 2230a_100000746794_100000210623 [0,1,0,0,0,1|1,0,0]=3 1711 B14R1.156 C=CCNC(C)COc1ccccc1 270004a_100020586998_100000150576 [0,1,0,0,0,1|1,0,0]=3 1712 B14R1.156 C=CCNC(C)COc1ccccc1 34a_100000746794_100015514636 [0,1,0,0,0,1|1,0,0]=3 1713 B14R1.156 C=CCNC(C)CSc1ccccc1 270004a_100020586998_100000150717 [0,1,0,0,0,1|1,0,0]=3 1714 B14R1.156 C=CCOC(C)COc1ccccc1 34a_100000210911_100015514636 [0,1,0,0,0,1|2,0,0]=4 1715 B14R1.156 C=CCOC(C)COc1ccccc1 7a_100000210911_100015514636 [0,1,0,0,0,1|2,0,0]=4 1716 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100015514636 [0,1,0,0,0,1|2,0,0]=4 1717 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100015514636 [0,1,0,0,0,1|2,0,0]=4 1718 B14R1.156 CC(C#Cc1ccccc1)OCC=O 34a_200000065209_200009817547 [0,1,0,0,0,1|1,0,1]=4 1719 B14R1.156 CC(C#Cc1ccccc1)OCC=O 7a_200000065209_200015260668 [0,1,0,0,0,1|1,0,1]=4 1720 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [0,1,0,0,0,1|1,0,1]=4 1721 B14R1.156 CC(CCc1ccccc1)NCC=O 2230a_100000210798_200015260668 [0,1,0,0,0,1|0,0,0]=2 1722 B14R1.156 CC(CCc1ccccc1)NCC=O 34a_100000210798_200009817547 [0,1,0,0,0,1|0,0,0]=2 1723 B14R1.156 CC(CCc1ccccc1)NCCF 2230a_100000210798_100011217306 [0,1,0,0,0,1|1,0,1]=4 1724 B14R1.156 CC(CCc1ccccc1)NCCF 34a_100000210798_100011217306 [0,1,0,0,0,1|1,0,1]=4 1725 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,1,0,0,0,1|0,0,2]=4 1726 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,1,0,0,0,1|0,0,2]=4 1727 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,1,0,0,0,1|0,0,2]=4 1728 B14R1.156 CC(COc1ccccc1)NCC#N 2230a_100000746794_100011215382 [0,1,0,0,0,1|1,0,1]=4 1729 B14R1.156 CC(COc1ccccc1)NCC=O 2230a_100000746794_200015260668 [0,1,0,0,0,1|0,0,0]=2 1730 B14R1.156 CC(COc1ccccc1)NCC=O 34a_100000746794_200009817547 [0,1,0,0,0,1|0,0,0]=2 1731 B14R1.156 CC(COc1ccccc1)NCCF 2230a_100000746794_100011217306 [0,1,0,0,0,1|1,0,1]=4 1732 B14R1.156 CC(COc1ccccc1)NCCF 34a_100000746794_100011217306 [0,1,0,0,0,1|1,0,1]=4 1733 B14R1.156 CC(COc1ccccc1)NCCO 2230a_100000746794_100000211926 [0,1,0,0,0,1|0,0,2]=4 1734 B14R1.156 CC(COc1ccccc1)NCCO 270004a_100000210304_100000150576 [0,1,0,0,0,1|0,0,2]=4 1735 B14R1.156 CC(COc1ccccc1)NCCO 34a_100000746794_100000211926 [0,1,0,0,0,1|0,0,2]=4 1736 B14R1.156 CC(COc1ccccc1)OCC=O 34a_100000210911_200009817547 [0,1,0,0,0,1|1,0,0]=3 1737 B14R1.156 CC(COc1ccccc1)OCC=O 7a_100000210911_200015260668 [0,1,0,0,0,1|1,0,0]=3 1738 B14R1.156 CC(CSc1ccccc1)NCCO 270004a_100000210304_100000150717 [0,1,0,0,0,1|0,0,2]=4 1739 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,1,0,0,0,1|1,0,1]=4 1740 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,1,0,0,0,1|1,0,1]=4 1741 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,1,0,0,0,1|1,0,1]=4 1742 B14R1.156 CCCNC(C)COc1ccccc1 2230a_100000746794_100000210303 [0,1,0,0,0,1|1,0,1]=4 1743 B14R1.156 CCCNC(C)COc1ccccc1 270004a_100020643023_100000150576 [0,1,0,0,0,1|1,0,1]=4 1744 B14R1.156 CCCNC(C)COc1ccccc1 34a_100000746794_100000210303 [0,1,0,0,0,1|1,0,1]=4 1745 B14R1.156 CCCNC(C)CSc1ccccc1 270004a_100020643023_100000150717 [0,1,0,0,0,1|1,0,1]=4 1746 B14R1.156 COCNC(C)CCc1ccccc1 2230a_100000210798_100000766300 [0,1,0,0,0,1|0,0,2]=4 1747 B14R1.156 COCNC(C)COc1ccccc1 2230a_100000746794_100000766300 [0,1,0,0,0,1|0,0,2]=4 1748 B14R1.156 CSCNC(C)CCc1ccccc1 2230a_100000210798_100011218213 [0,1,0,0,0,1|0,1,1]=4 1749 B14R1.156 CSCNC(C)CCc1ccccc1 34a_100000210798_100011218213 [0,1,0,0,0,1|0,1,1]=4 1750 B14R1.156 CSCNC(C)COc1ccccc1 2230a_100000746794_100011218213 [0,1,0,0,0,1|0,1,1]=4 1751 B14R1.156 CSCNC(C)COc1ccccc1 34a_100000746794_100011218213 [0,1,0,0,0,1|0,1,1]=4 1752 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 34a_100009815974_200009817547 [0,1,0,0,0,1|1,0,0]=3 1753 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 7a_100009815974_200015260668 [0,1,0,0,0,1|1,0,0]=3 1754 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)Br 34a_200102604097_100000189115 [0,1,0,0,0,1|2,0,0]=4 1755 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)C 34a_200102604097_100000210814 [0,1,0,0,0,1|2,0,0]=4 1756 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)Cl 34a_200102604097_100000694040 [0,1,0,0,0,1|2,0,0]=4 1757 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)F 34a_200102604097_100000198546 [0,1,0,0,0,1|2,0,0]=4 1758 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)I 34a_200102604097_100000189116 [0,1,0,0,0,1|2,0,0]=4 1759 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Br 34a_100000731007_100000189115 [0,1,0,0,0,1|2,0,0]=4 1760 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Br 7a_100000731007_100011217064 [0,1,0,0,0,1|2,0,0]=4 1761 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)C 34a_100000731007_100000210814 [0,1,0,0,0,1|2,0,0]=4 1762 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)C 7a_100000731007_100000210814 [0,1,0,0,0,1|2,0,0]=4 1763 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Cl 34a_100000731007_100000694040 [0,1,0,0,0,1|2,0,0]=4 1764 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Cl 7a_100000731007_100000187161 [0,1,0,0,0,1|2,0,0]=4 1765 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)F 34a_100000731007_100000198546 [0,1,0,0,0,1|2,0,0]=4 1766 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)F 7a_100000731007_100000198546 [0,1,0,0,0,1|2,0,0]=4 1767 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)I 34a_100000731007_100000189116 [0,1,0,0,0,1|2,0,0]=4 1768 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)I 7a_100000731007_100000189116 [0,1,0,0,0,1|2,0,0]=4 1769 B14R1.502 CCNC(C)CCc1ccc(cc1)Cl 270004a_100015525214_100011279170 [0,1,0,0,0,1|1,0,1]=4 1770 B14R1.502 CCNC(C)CCc1ccc(cc1)F 270004a_100015525214_100000743244 [0,1,0,0,0,1|1,0,1]=4 1771 B14R1.502 CCNC(C)CCc1ccc(cc1)I 270004a_100015525214_100000723691 [0,1,0,0,0,1|1,0,1]=4 1772 B14R1.502 CCNC(C)CCc1ccc(cc1)O 270004a_100015525214_100000198047 [0,1,0,0,0,1|1,0,1]=4 1773 B14R1.502 CCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000210202 [0,1,0,0,0,1|1,0,1]=4 1774 B14R1.502 CCNC(C)COc1ccc(cc1)C 34a_100000743913_100000210202 [0,1,0,0,0,1|1,0,1]=4 1775 B14R1.502 CCNC(C)COc1ccc(cc1)Cl 270004a_100015525214_200000150450 [0,1,0,0,0,1|1,0,1]=4 1776 B14R1.502 CCNC(C)CSc1ccc(cc1)C 270004a_100015525214_100000172844 [0,1,0,0,0,1|1,0,1]=4 1777 B14R1.502 CCNC(C)CSc1ccc(cc1)Cl 270004a_100015525214_100000150472 [0,1,0,0,0,1|1,0,1]=4 1778 B14R1.502 CCNC(C)CSc1ccc(cc1)F 270004a_100015525214_200000148136 [0,1,0,0,0,1|1,0,1]=4 1779 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 2230a_100000752880_200015260668 [0,1,0,0,0,1|2,0,0]=4 1780 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 269982a_100000752880_200015260668 [0,1,0,0,0,1|2,0,0]=4 1781 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 34a_100000752880_200009817547 [0,1,0,0,0,1|2,0,0]=4 1782 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 2230a_100000698262_200015260668 [0,1,0,0,0,1|2,0,0]=4 1783 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 269982a_100000698262_200015260668 [0,1,0,0,0,1|2,0,0]=4 1784 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 34a_100000698262_200009817547 [0,1,0,0,0,1|2,0,0]=4 1785 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 2230a_100102946585_200015260668 [0,1,0,0,0,1|2,0,0]=4 1786 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 269982a_100102946585_200015260668 [0,1,0,0,0,1|2,0,0]=4 1787 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 34a_100102946585_200009817547 [0,1,0,0,0,1|2,0,0]=4 1788 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 2230a_100016989440_200015260668 [0,1,0,0,0,1|2,0,0]=4 1789 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 269982a_100016989440_200015260668 [0,1,0,0,0,1|2,0,0]=4 1790 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 34a_100016989440_200009817547 [0,1,0,0,0,1|2,0,0]=4 1791 B14R1.502 Cc1ccc(cc1)OCC(C)NCF 34a_100000743913_100015361967 [0,1,0,0,0,1|1,0,1]=4 1792 B14R1.598 C/C=C/C(C)OCc1ccccc1Br 34a_200102604097_100000184730 [0,1,0,0,0,1|2,0,0]=4 1793 B14R1.598 C/C=C/C(C)OCc1ccccc1C 34a_200102604097_100000211839 [0,1,0,0,0,1|2,0,0]=4 1794 B14R1.598 C/C=C/C(C)OCc1ccccc1Cl 34a_200102604097_100000187162 [0,1,0,0,0,1|2,0,0]=4 1795 B14R1.598 C/C=C/C(C)OCc1ccccc1F 34a_200102604097_100000211605 [0,1,0,0,0,1|2,0,0]=4 1796 B14R1.598 C/C=C/C(C)OCc1ccccc1I 34a_200102604097_100011215278 [0,1,0,0,0,1|2,0,0]=4 1797 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Br 34a_100000731007_100000184730 [0,1,0,0,0,1|2,0,0]=4 1798 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Br 7a_100000731007_100000184730 [0,1,0,0,0,1|2,0,0]=4 1799 B14R1.598 C=CC[C@@H](C)OCc1ccccc1C 34a_100000731007_100000211839 [0,1,0,0,0,1|2,0,0]=4 1800 B14R1.598 C=CC[C@@H](C)OCc1ccccc1C 7a_100000731007_100000211839 [0,1,0,0,0,1|2,0,0]=4 1801 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Cl 34a_100000731007_100000187162 [0,1,0,0,0,1|2,0,0]=4 1802 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Cl 7a_100000731007_100000187162 [0,1,0,0,0,1|2,0,0]=4 1803 B14R1.598 C=CC[C@@H](C)OCc1ccccc1F 34a_100000731007_100000211605 [0,1,0,0,0,1|2,0,0]=4 1804 B14R1.598 C=CC[C@@H](C)OCc1ccccc1F 7a_100000731007_100000211605 [0,1,0,0,0,1|2,0,0]=4 1805 B14R1.598 C=CC[C@@H](C)OCc1ccccc1I 34a_100000731007_100011215278 [0,1,0,0,0,1|2,0,0]=4 1806 B14R1.598 C=CC[C@@H](C)OCc1ccccc1I 7a_100000731007_100011215278 [0,1,0,0,0,1|2,0,0]=4 1807 B14R1.598 CCNC(C)COc1ccccc1C 2230a_100000744241_100000210202 [0,1,0,0,0,1|1,0,1]=4 1808 B14R1.598 CCNC(C)COc1ccccc1C 34a_100000744241_100000210202 [0,1,0,0,0,1|1,0,1]=4 1809 B14R1.598 CN(CC=O)CCc1ccccc1F 2230a_100000232559_200015260668 [0,1,0,0,0,1|2,0,0]=4 1810 B14R1.598 CN(CC=O)CCc1ccccc1F 269982a_100000232559_200015260668 [0,1,0,0,0,1|2,0,0]=4 1811 B14R1.598 CN(CC=O)CCc1ccccc1F 34a_100000232559_200009817547 [0,1,0,0,0,1|2,0,0]=4 1812 B14R1.598 Cc1ccccc1OCC(C)NCF 34a_100000744241_100015361967 [0,1,0,0,0,1|1,0,1]=4 1813 B14R1.756 C/C=C(\C)/C(C)NCc1ccccc1 269862a_100015324214_100020675665 [0,1,0,0,0,1|2,0,0]=4 1814 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccc1 34a_100015455354_100015291786 [0,1,0,0,0,1|2,0,0]=4 1815 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccc1 7a_100015455354_100000211182 [0,1,0,0,0,1|2,0,0]=4 1816 B14R1.818 CC(=CC(C)OCc1ccccc1)C 34a_100000717055_100015291786 [0,1,0,0,0,1|2,0,0]=4 1817 B14R1.818 CC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000183797 [0,1,0,0,0,1|1,0,1]=4 1818 B14R1.818 CC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000183797 [0,1,0,0,0,1|1,0,1]=4 1819 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,1,0,0,0,1|0,0,0]=2 1820 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,1,0,0,0,1|0,0,0]=2 1821 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,1,0,0,0,1|0,0,0]=2 1822 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,1,0,0,0,1|0,0,0]=2 1823 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,1,0,0,0,1|0,0,0]=2 1824 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,1,0,0,0,1|0,0,0]=2 1825 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,1,0,0,0,1|0,0,0]=2 1826 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,1,0,0,0,1|0,0,0]=2 1827 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,1,0,0,0,1|1,0,0]=3 1828 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,1,0,0,0,1|1,0,0]=3 1829 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100000721315_100009818208 [0,1,0,0,0,1|2,0,0]=4 1830 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100009818208_100000721315 [0,1,0,0,0,1|2,0,0]=4 1831 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100000741622_100009818208 [0,1,0,0,0,1|2,0,0]=4 1832 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100009818208_100000741622 [0,1,0,0,0,1|2,0,0]=4 1833 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100009818208_100015193705 [0,1,0,0,0,1|2,0,0]=4 1834 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100015193705_100009818208 [0,1,0,0,0,1|2,0,0]=4 1835 B14R1.818 CC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000210206 [0,1,0,0,0,1|1,0,1]=4 1836 B14R1.818 CC(C)NC(C)CCc1ccccc1 34a_100000210798_100000210206 [0,1,0,0,0,1|1,0,1]=4 1837 B14R1.818 CC(C)NC(C)COc1ccccc1 2230a_100000746794_100000210206 [0,1,0,0,0,1|1,0,1]=4 1838 B14R1.818 CC(C)NC(C)COc1ccccc1 34a_100000746794_100000210206 [0,1,0,0,0,1|1,0,1]=4 1839 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [0,1,0,0,0,1|2,0,0]=4 1840 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [0,1,0,0,0,1|2,0,0]=4 1841 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [0,1,0,0,0,1|2,0,0]=4 1842 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,1,0,0,0,1|2,0,0]=4 1843 B14R1.818 CN(CCc1ccccc1)CC(=O)[O-] 269982a_100000207497_100020667443 [0,1,0,0,0,1|2,0,0]=4 1844 B14R1.818 CN(CSc1ccccc1)CC(=O)N 2230a_100000739694_100011218342 [0,1,0,0,0,1|2,0,0]=4 1845 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,1,0,0,0,1|2,0,0]=4 1846 B14R1.818 NC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000182717 [0,1,0,0,0,1|1,0,1]=4 1847 B14R1.818 NC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000182717 [0,1,0,0,0,1|1,0,1]=4 1848 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 207a_100020615467_100015611070 [0,1,0,0,0,1|2,0,0]=4 1849 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 2230a_100020615467_100015291786 [0,1,0,0,0,1|2,0,0]=4 1850 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 270004a_100020615467_100015611070 [0,1,0,0,0,1|2,0,0]=4 1851 B14R1.979 CCN(CC=O)CCc1ccccc1 2230a_100000741020_200015260668 [0,1,0,0,0,1|2,0,0]=4 1852 B14R1.979 CCN(CC=O)CCc1ccccc1 269982a_100000741020_200015260668 [0,1,0,0,0,1|2,0,0]=4 1853 B14R1.979 CCNC(CC)CCc1ccccc1 270004a_100015525214_100011279265 [0,1,0,0,0,1|1,0,1]=4 1854 B14R1.6829 C=CCC(C)(C)OCc1ccccc1 7a_100011995686_100000211182 [0,1,0,0,0,1|2,0,0]=4 1855 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000038162 [0,2,0,0,0,0|1,0,1]=4 1856 B14R1.33 C#CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000184674 [0,2,0,0,0,0|1,0,1]=4 1857 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Br 270004a_100020586998_100000691760 [0,2,0,0,0,0|1,0,0]=3 1858 B14R1.33 C=CCNC(C)Cc1ccc(cc1)C 270004a_100020586998_100000751045 [0,2,0,0,0,0|1,0,0]=3 1859 B14R1.33 C=CCNC(C)Cc1ccc(cc1)Cl 270004a_100020586998_100000747806 [0,2,0,0,0,0|1,0,0]=3 1860 B14R1.33 C=CCNC(C)Cc1ccc(cc1)F 270004a_100020586998_100000745281 [0,2,0,0,0,0|1,0,0]=3 1861 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210623 [0,2,0,0,0,0|1,0,0]=3 1862 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 270004a_100020586998_100011218180 [0,2,0,0,0,0|1,0,0]=3 1863 B14R1.33 C=CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100015514636 [0,2,0,0,0,0|1,0,0]=3 1864 B14R1.33 C=CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100015514636 [0,2,0,0,0,0|2,0,0]=4 1865 B14R1.33 C=CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100015514636 [0,2,0,0,0,0|2,0,0]=4 1866 B14R1.33 CC(Cc1ccc(cc1)Br)NCCO 270004a_100000210304_100000691760 [0,2,0,0,0,0|0,0,2]=4 1867 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000747806 [0,2,0,0,0,0|0,0,2]=4 1868 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 270004a_100000210304_100000745281 [0,2,0,0,0,0|0,0,2]=4 1869 B14R1.33 CC(Cc1ccc(cc1)F)OCC=O 34a_100011351027_200009817547 [0,2,0,0,0,0|1,0,0]=3 1870 B14R1.33 CC(Cc1ccc(cc1)F)OCC=O 7a_100011351027_200015260668 [0,2,0,0,0,0|1,0,0]=3 1871 B14R1.33 CC(Cc1ccc(cc1)O)NCC#N 2230a_100102634573_100011215382 [0,2,0,0,0,0|1,0,1]=4 1872 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 2230a_100102634573_200015260668 [0,2,0,0,0,0|0,0,0]=2 1873 B14R1.33 CC(Cc1ccc(cc1)O)NCC=O 34a_100102634573_200009817547 [0,2,0,0,0,0|0,0,0]=2 1874 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 2230a_100102634573_100011217306 [0,2,0,0,0,0|1,0,1]=4 1875 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 34a_100102634573_100011217306 [0,2,0,0,0,0|1,0,1]=4 1876 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 2230a_100102634573_100000211926 [0,2,0,0,0,0|0,0,2]=4 1877 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 270004a_100000210304_100011218180 [0,2,0,0,0,0|0,0,2]=4 1878 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 34a_100102634573_100000211926 [0,2,0,0,0,0|0,0,2]=4 1879 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br 270004a_100020643023_100000691760 [0,2,0,0,0,0|1,0,1]=4 1880 B14R1.33 CCCNC(C)Cc1ccc(cc1)C 270004a_100020643023_100000751045 [0,2,0,0,0,0|1,0,1]=4 1881 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl 270004a_100020643023_100000747806 [0,2,0,0,0,0|1,0,1]=4 1882 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 270004a_100020643023_100000745281 [0,2,0,0,0,0|1,0,1]=4 1883 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [0,2,0,0,0,0|1,0,1]=4 1884 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [0,2,0,0,0,0|1,0,1]=4 1885 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [0,2,0,0,0,0|1,0,1]=4 1886 B14R1.33 COCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766300 [0,2,0,0,0,0|0,0,2]=4 1887 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218213 [0,2,0,0,0,0|0,1,1]=4 1888 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218213 [0,2,0,0,0,0|0,1,1]=4 1889 B14R1.33 Cc1ccc(cc1)CC(C)NCCO 270004a_100000210304_100000751045 [0,2,0,0,0,0|0,0,2]=4 1890 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC=O 2230a_100000231103_200015260668 [0,2,0,0,0,0|2,0,0]=4 1891 B14R1.35 CC(c1ccc(cc1)Br)N(C)CC=O 269982a_100000231103_200015260668 [0,2,0,0,0,0|2,0,0]=4 1892 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC=O 2230a_100000231102_200015260668 [0,2,0,0,0,0|2,0,0]=4 1893 B14R1.35 CC(c1ccc(cc1)Cl)N(C)CC=O 269982a_100000231102_200015260668 [0,2,0,0,0,0|2,0,0]=4 1894 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 2230a_100000222788_200015260668 [0,2,0,0,0,0|2,0,0]=4 1895 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 269982a_100000222788_200015260668 [0,2,0,0,0,0|2,0,0]=4 1896 B14R1.35 CC(c1ccc(cc1)F)N(C)CC=O 34a_100000222788_200009817547 [0,2,0,0,0,0|2,0,0]=4 1897 B14R1.35 CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210202 [0,2,0,0,0,0|1,0,1]=4 1898 B14R1.35 CCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210202 [0,2,0,0,0,0|1,0,1]=4 1899 B14R1.35 C[C@@H](NCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100015361967 [0,2,0,0,0,0|1,0,1]=4 1900 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Br 2230a_100000187385_200015260668 [0,2,0,0,0,0|2,0,0]=4 1901 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Br 269982a_100000187385_200015260668 [0,2,0,0,0,0|2,0,0]=4 1902 B14R1.72 CCN(CC=O)Cc1ccc(cc1)C 2230a_100000180869_200015260668 [0,2,0,0,0,0|2,0,0]=4 1903 B14R1.72 CCN(CC=O)Cc1ccc(cc1)C 269982a_100000180869_200015260668 [0,2,0,0,0,0|2,0,0]=4 1904 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Cl 2230a_100000180830_200015260668 [0,2,0,0,0,0|2,0,0]=4 1905 B14R1.72 CCN(CC=O)Cc1ccc(cc1)Cl 269982a_100000180830_200015260668 [0,2,0,0,0,0|2,0,0]=4 1906 B14R1.72 CCN(CC=O)Cc1ccc(cc1)F 2230a_100015183324_200015260668 [0,2,0,0,0,0|2,0,0]=4 1907 B14R1.72 CCN(CC=O)Cc1ccc(cc1)F 269982a_100015183324_200015260668 [0,2,0,0,0,0|2,0,0]=4 1908 B14R1.72 CCN(CC=O)Cc1ccc(cc1)F 34a_100015183324_200009817547 [0,2,0,0,0,0|2,0,0]=4 1909 B14R1.72 CCN(CC=O)Cc1ccc(cc1)O 269982a_100000748449_200015260668 [0,2,0,0,0,0|2,0,0]=4 1910 B14R1.72 CCNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_100000210202 [0,2,0,0,0,0|1,0,1]=4 1911 B14R1.72 CCNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_100000210202 [0,2,0,0,0,0|1,0,1]=4 1912 B14R1.72 CCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210202 [0,2,0,0,0,0|1,0,1]=4 1913 B14R1.72 CCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000210202 [0,2,0,0,0,0|1,0,1]=4 1914 B14R1.72 OCC(Cc1ccc(cc1)Cl)NCF 34a_100025702442_100015361967 [0,2,0,0,0,0|1,0,1]=4 1915 B14R1.72 OC[C@@H](Cc1ccc(cc1)O)NCF 34a_100020629837_100015361967 [0,2,0,0,0,0|1,0,1]=4 1916 B14R1.698 CC(=O)CC(C)Oc1ccc(cc1)F 1458a_100000070787_100010228477 [0,2,0,0,0,0|2,0,0]=4 1917 B14R1.698 CC(=O)CC(C)Sc1ccc(cc1)Cl 1458a_100011219718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1918 B14R1.698 CC(=O)CN(C)Cc1ccc(cc1)C 1458a_100015185648_200000210301 [0,2,0,0,0,0|2,0,0]=4 1919 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,2,0,0,0,0|0,0,0]=2 1920 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,2,0,0,0,0|0,0,0]=2 1921 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Br 62a_100000752885_100009818208 [0,2,0,0,0,0|2,0,0]=4 1922 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Br 62a_100009818208_100000752885 [0,2,0,0,0,0|2,0,0]=4 1923 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)C 62a_100000186775_100009818208 [0,2,0,0,0,0|2,0,0]=4 1924 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)C 62a_100009818208_100000186775 [0,2,0,0,0,0|2,0,0]=4 1925 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009818208 [0,2,0,0,0,0|2,0,0]=4 1926 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100009818208_100000755918 [0,2,0,0,0,0|2,0,0]=4 1927 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)F 62a_100000211213_100009818208 [0,2,0,0,0,0|2,0,0]=4 1928 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)F 62a_100009818208_100000211213 [0,2,0,0,0,0|2,0,0]=4 1929 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)N 62a_100000185761_100009818208 [0,2,0,0,0,0|2,0,0]=4 1930 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)N 62a_100009818208_100000185761 [0,2,0,0,0,0|2,0,0]=4 1931 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)O 62a_100009818208_100000185759 [0,2,0,0,0,0|2,0,0]=4 1932 B14R1.698 CC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210206 [0,2,0,0,0,0|1,0,1]=4 1933 B14R1.698 CC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100000210206 [0,2,0,0,0,0|1,0,1]=4 1934 B14R1.698 CC(CC(=O)[13CH3])Sc1ccc(cc1)Cl 1458a_100011219718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1935 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 2230a_100000180866_100000747473 [0,2,0,0,0,0|2,0,0]=4 1936 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 2230a_100000739694_100011217064 [0,2,0,0,0,0|2,0,0]=4 1937 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 269982a_100000180866_100000187820 [0,2,0,0,0,0|2,0,0]=4 1938 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Br 270004a_100000739694_100000186029 [0,2,0,0,0,0|2,0,0]=4 1939 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000184517_100000747473 [0,2,0,0,0,0|2,0,0]=4 1940 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 2230a_100000739694_100000694040 [0,2,0,0,0,0|2,0,0]=4 1941 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 269982a_100000184517_100000187820 [0,2,0,0,0,0|2,0,0]=4 1942 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 270004a_100000739694_100000189385 [0,2,0,0,0,0|2,0,0]=4 1943 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)Cl 34a_100000184517_100000187820 [0,2,0,0,0,0|2,0,0]=4 1944 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 2230a_100000184576_100000747473 [0,2,0,0,0,0|2,0,0]=4 1945 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 2230a_100000739694_100000198546 [0,2,0,0,0,0|2,0,0]=4 1946 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 269982a_100000184576_100000187820 [0,2,0,0,0,0|2,0,0]=4 1947 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 270004a_100000739694_100000210084 [0,2,0,0,0,0|2,0,0]=4 1948 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)F 34a_100000184576_100000187820 [0,2,0,0,0,0|2,0,0]=4 1949 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)I 2230a_100000739694_100000189116 [0,2,0,0,0,0|2,0,0]=4 1950 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)O 2230a_100000207500_100000747473 [0,2,0,0,0,0|2,0,0]=4 1951 B14R1.698 CN(CC(=O)N)Cc1ccc(cc1)O 269982a_100000207500_100000187820 [0,2,0,0,0,0|2,0,0]=4 1952 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,2,0,0,0,0|2,0,0]=4 1953 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,2,0,0,0,0|2,0,0]=4 1954 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,2,0,0,0,0|2,0,0]=4 1955 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,2,0,0,0,0|2,0,0]=4 1956 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,2,0,0,0,0|2,0,0]=4 1957 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Br 269982a_100000180866_100020667443 [0,2,0,0,0,0|2,0,0]=4 1958 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 269982a_100000184517_100020667443 [0,2,0,0,0,0|2,0,0]=4 1959 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)Cl 34a_100000184517_100020667443 [0,2,0,0,0,0|2,0,0]=4 1960 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)F 269982a_100000184576_100020667443 [0,2,0,0,0,0|2,0,0]=4 1961 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)F 34a_100000184576_100020667443 [0,2,0,0,0,0|2,0,0]=4 1962 B14R1.698 CN(CC(=O)[O-])Cc1ccc(cc1)O 269982a_100000207500_100020667443 [0,2,0,0,0,0|2,0,0]=4 1963 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 2230a_100000739694_100000210814 [0,2,0,0,0,0|2,0,0]=4 1964 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 2230a_100000744650_100000747473 [0,2,0,0,0,0|2,0,0]=4 1965 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 269982a_100000744650_100000187820 [0,2,0,0,0,0|2,0,0]=4 1966 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 270004a_100000739694_100000211033 [0,2,0,0,0,0|2,0,0]=4 1967 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)N 34a_100000744650_100000187820 [0,2,0,0,0,0|2,0,0]=4 1968 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,2,0,0,0,0|2,0,0]=4 1969 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[13CH3] 1458a_100015185648_200025704644 [0,2,0,0,0,0|2,0,0]=4 1970 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[O-] 269982a_100000744650_100020667443 [0,2,0,0,0,0|2,0,0]=4 1971 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[O-] 34a_100000744650_100020667443 [0,2,0,0,0,0|2,0,0]=4 1972 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,2,0,0,0,0|2,0,0]=4 1973 B14R1.954 CCNC(C)Cc1ccc(cc1)C#N 270004a_100015525214_200011996569 [0,2,0,0,0,0|1,0,1]=4 1974 B14R1.954 CCNC(C)Cc1ccc(cc1)OC 270004a_100015525214_100000211147 [0,2,0,0,0,0|1,0,1]=4 1975 B14R1.954 CCc1ccc(cc1)CN(C)CC=O 2230a_100000683253_200015260668 [0,2,0,0,0,0|2,0,0]=4 1976 B14R1.954 CCc1ccc(cc1)CN(C)CC=O 269982a_100000683253_200015260668 [0,2,0,0,0,0|2,0,0]=4 1977 B14R1.954 CN(CC=O)Cc1ccc(cc1)C#N 2230a_100000217971_200015260668 [0,2,0,0,0,0|2,0,0]=4 1978 B14R1.954 CN(CC=O)Cc1ccc(cc1)C#N 269982a_100000217971_200015260668 [0,2,0,0,0,0|2,0,0]=4 1979 B14R1.954 CN(CC=O)Cc1ccc(cc1)C#N 34a_100000217971_200009817547 [0,2,0,0,0,0|2,0,0]=4 1980 B14R1.954 COc1ccc(cc1)CN(C)CC=O 2230a_100000184145_200015260668 [0,2,0,0,0,0|2,0,0]=4 1981 B14R1.954 COc1ccc(cc1)CN(C)CC=O 269982a_100000184145_200015260668 [0,2,0,0,0,0|2,0,0]=4 1982 B14R1.954 CSc1ccc(cc1)CN(C)CC=O 2230a_102495365258_200015260668 [0,2,0,0,0,0|2,0,0]=4 1983 B14R1.954 CSc1ccc(cc1)CN(C)CC=O 269982a_102495365258_200015260668 [0,2,0,0,0,0|2,0,0]=4 1984 B14R1.967 CCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100015525214_100011586667 [0,2,0,0,0,0|1,0,1]=4 1985 B14R1.967 CN(CC=O)Cc1ccc(c(c1)Cl)Cl 2230a_100000184578_200015260668 [0,2,0,0,0,0|2,0,0]=4 1986 B14R1.967 CN(CC=O)Cc1ccc(c(c1)Cl)Cl 269982a_100000184578_200015260668 [0,2,0,0,0,0|2,0,0]=4 1987 B14R1.967 CN(CC=O)Cc1ccc(c(c1)Cl)Cl 34a_100000184578_200009817547 [0,2,0,0,0,0|2,0,0]=4 1988 B14R1.967 Cc1ccc(cc1C)CN(C)CC=O 2230a_100015204808_200015260668 [0,2,0,0,0,0|2,0,0]=4 1989 B14R1.967 Cc1ccc(cc1C)CN(C)CC=O 269982a_100015204808_200015260668 [0,2,0,0,0,0|2,0,0]=4 1990 B14R1.967 Cc1ccc(cc1C)CN(C)CC=O 34a_100015204808_200009817547 [0,2,0,0,0,0|2,0,0]=4 1991 B14R1.6817 CC(C)(Cc1ccc(cc1)F)NCF 34a_100015243227_100015361967 [0,2,0,0,0,0|1,0,1]=4 1992 B14R1.6817 CCNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1993 B14R1.6817 CCNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1994 B14R1.6823 CCNC(C)Cc1ccc(cc1Br)Cl 270004a_100015525214_200010078464 [0,2,0,0,0,0|1,0,1]=4 1995 B14R1.6823 CCNC(C)Cc1ccc(cc1C)C 270004a_100015525214_200000075425 [0,2,0,0,0,0|1,0,1]=4 1996 B14R1.6823 CCNC(C)Cc1ccc(cc1Cl)Cl 270004a_100015525214_200011350722 [0,2,0,0,0,0|1,0,1]=4 1997 B14R1.6823 CCNC(C)Cc1ccc(cc1Cl)O 270004a_100015525214_200000084595 [0,2,0,0,0,0|1,0,1]=4 1998 B14R1.6823 CCNC(C)Cc1ccc(cc1F)F 270004a_100015525214_100011622162 [0,2,0,0,0,0|1,0,1]=4 1999 B14R1.6823 CN(CC=O)Cc1ccc(cc1Br)F 2230a_200011192132_200015260668 [0,2,0,0,0,0|2,0,0]=4 2000 B14R1.6823 CN(CC=O)Cc1ccc(cc1Br)F 269982a_200011192132_200015260668 [0,2,0,0,0,0|2,0,0]=4 2001 B14R1.6823 CN(CC=O)Cc1ccc(cc1Br)F 34a_200011192132_200009817547 [0,2,0,0,0,0|2,0,0]=4 2002 B14R1.6823 CN(CC=O)Cc1ccc(cc1Cl)Cl 2230a_100015189987_200015260668 [0,2,0,0,0,0|2,0,0]=4 2003 B14R1.6823 CN(CC=O)Cc1ccc(cc1Cl)Cl 269982a_100015189987_200015260668 [0,2,0,0,0,0|2,0,0]=4 2004 B14R1.6823 CN(CC=O)Cc1ccc(cc1Cl)Cl 34a_100015189987_200009817547 [0,2,0,0,0,0|2,0,0]=4 2005 B14R1.6823 CN(CC=O)Cc1ccc(cc1F)F 2230a_100000207661_200015260668 [0,2,0,0,0,0|2,0,0]=4 2006 B14R1.6823 CN(CC=O)Cc1ccc(cc1F)F 269982a_100000207661_200015260668 [0,2,0,0,0,0|2,0,0]=4 2007 B14R1.6823 CN(CC=O)Cc1ccc(cc1F)F 34a_100000207661_200009817547 [0,2,0,0,0,0|2,0,0]=4 2008 B14R1.6823 Cc1ccc(c(c1)C)CN(C)CC=O 2230a_100025771030_200015260668 [0,2,0,0,0,0|2,0,0]=4 2009 B14R1.6823 Cc1ccc(c(c1)C)CN(C)CC=O 269982a_100025771030_200015260668 [0,2,0,0,0,0|2,0,0]=4 2010 B14R1.6823 Cc1ccc(c(c1)C)CN(C)CC=O 34a_100025771030_200009817547 [0,2,0,0,0,0|2,0,0]=4 2011 B14R1.17 CCNC(C)Cc1cccc(c1C)F 270004a_100015525214_200000084601 [0,2,0,0,0,0|1,0,1]=4 2012 B14R1.17 CCNC(C)Cc1cccc(c1F)F 270004a_100015525214_200011710203 [0,2,0,0,0,0|1,0,1]=4 2013 B14R1.17 CN(CC=O)Cc1cccc(c1Cl)Cl 2230a_100000690605_200015260668 [0,2,0,0,0,0|2,0,0]=4 2014 B14R1.17 CN(CC=O)Cc1cccc(c1Cl)Cl 269982a_100000690605_200015260668 [0,2,0,0,0,0|2,0,0]=4 2015 B14R1.17 CN(CC=O)Cc1cccc(c1Cl)Cl 34a_100000690605_200009817547 [0,2,0,0,0,0|2,0,0]=4 2016 B14R1.17 CN(CC=O)Cc1cccc(c1F)Br 2230a_114873767014_200015260668 [0,2,0,0,0,0|2,0,0]=4 2017 B14R1.17 CN(CC=O)Cc1cccc(c1F)Br 269982a_114873767014_200015260668 [0,2,0,0,0,0|2,0,0]=4 2018 B14R1.17 CN(CC=O)Cc1cccc(c1F)Br 34a_114873767014_200009817547 [0,2,0,0,0,0|2,0,0]=4 2019 B14R1.17 CN(CC=O)Cc1cccc(c1F)F 2230a_102515433064_200015260668 [0,2,0,0,0,0|2,0,0]=4 2020 B14R1.17 CN(CC=O)Cc1cccc(c1F)F 269982a_102515433064_200015260668 [0,2,0,0,0,0|2,0,0]=4 2021 B14R1.17 CN(CC=O)Cc1cccc(c1F)F 34a_102515433064_200009817547 [0,2,0,0,0,0|2,0,0]=4 2022 B14R1.17 Cc1cccc(c1C)CN(C)CC=O 2230a_100000207598_200015260668 [0,2,0,0,0,0|2,0,0]=4 2023 B14R1.17 Cc1cccc(c1C)CN(C)CC=O 269982a_100000207598_200015260668 [0,2,0,0,0,0|2,0,0]=4 2024 B14R1.17 Cc1cccc(c1C)CN(C)CC=O 34a_100000207598_200009817547 [0,2,0,0,0,0|2,0,0]=4 2025 B14R1.34 C=CCNC(C)Cc1cc(ccn1)C 270004a_100020586998_200015184229 [0,2,0,0,0,0|2,0,0]=4 2026 B14R1.34 C=CCNC(C)Cc1cccc(c1)Br 270004a_100020586998_100000689217 [0,2,0,0,0,0|1,0,0]=3 2027 B14R1.34 C=CCNC(C)Cc1cccc(c1)Cl 270004a_100020586998_100000727212 [0,2,0,0,0,0|1,0,0]=3 2028 B14R1.34 C=CCNC(C)Cc1cccc(c1)F 270004a_100020586998_100000687711 [0,2,0,0,0,0|1,0,0]=3 2029 B14R1.34 CC(Cc1cccc(c1)Br)NCCO 270004a_100000210304_100000689217 [0,2,0,0,0,0|0,0,2]=4 2030 B14R1.34 CC(Cc1cccc(c1)Cl)NCCO 270004a_100000210304_100000727212 [0,2,0,0,0,0|0,0,2]=4 2031 B14R1.34 CC(Cc1cccc(c1)F)NCCO 270004a_100000210304_100000687711 [0,2,0,0,0,0|0,0,2]=4 2032 B14R1.34 CCCNC(C)Cc1cccc(c1)Br 270004a_100020643023_100000689217 [0,2,0,0,0,0|1,0,1]=4 2033 B14R1.34 CCCNC(C)Cc1cccc(c1)Cl 270004a_100020643023_100000727212 [0,2,0,0,0,0|1,0,1]=4 2034 B14R1.34 CCCNC(C)Cc1cccc(c1)F 270004a_100020643023_100000687711 [0,2,0,0,0,0|1,0,1]=4 2035 B14R1.34 Cc1cccc(n1)CC(C)OCC=O 34a_200015421231_200009817547 [0,2,0,0,0,0|2,0,0]=4 2036 B14R1.36 CC(c1cccc(c1)Br)N(C)CC=O 2230a_100025717457_200015260668 [0,2,0,0,0,0|2,0,0]=4 2037 B14R1.36 CC(c1cccc(c1)Br)N(C)CC=O 269982a_100025717457_200015260668 [0,2,0,0,0,0|2,0,0]=4 2038 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 2230a_100000231114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2039 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 269982a_100000231114_200015260668 [0,2,0,0,0,0|2,0,0]=4 2040 B14R1.36 CC(c1cccc(c1)F)N(C)CC=O 34a_100000231114_200009817547 [0,2,0,0,0,0|2,0,0]=4 2041 B14R1.73 CCN(CC=O)Cc1cccc(c1)Br 2230a_100000187426_200015260668 [0,2,0,0,0,0|2,0,0]=4 2042 B14R1.73 CCN(CC=O)Cc1cccc(c1)Br 269982a_100000187426_200015260668 [0,2,0,0,0,0|2,0,0]=4 2043 B14R1.73 CCN(CC=O)Cc1cccc(c1)C 2230a_102516607250_200015260668 [0,2,0,0,0,0|2,0,0]=4 2044 B14R1.73 CCN(CC=O)Cc1cccc(c1)C 269982a_102516607250_200015260668 [0,2,0,0,0,0|2,0,0]=4 2045 B14R1.73 CCN(CC=O)Cc1cccc(c1)Cl 2230a_100000201194_200015260668 [0,2,0,0,0,0|2,0,0]=4 2046 B14R1.73 CCN(CC=O)Cc1cccc(c1)Cl 269982a_100000201194_200015260668 [0,2,0,0,0,0|2,0,0]=4 2047 B14R1.73 CCN(CC=O)Cc1cccc(c1)F 2230a_100000195558_200015260668 [0,2,0,0,0,0|2,0,0]=4 2048 B14R1.73 CCN(CC=O)Cc1cccc(c1)F 269982a_100000195558_200015260668 [0,2,0,0,0,0|2,0,0]=4 2049 B14R1.73 CCN(CC=O)Cc1cccc(c1)F 34a_100000195558_200009817547 [0,2,0,0,0,0|2,0,0]=4 2050 B14R1.73 CCN(CC=O)Cc1cccc(c1)O 2230a_100000201218_200015260668 [0,2,0,0,0,0|2,0,0]=4 2051 B14R1.73 CCN(CC=O)Cc1cccc(c1)O 269982a_100000201218_200015260668 [0,2,0,0,0,0|2,0,0]=4 2052 B14R1.73 CCNC(CO)Cc1cccc(c1)Br 2230a_114802770106_100000210202 [0,2,0,0,0,0|1,0,1]=4 2053 B14R1.73 CCNC(CO)Cc1cccc(c1)Br 34a_114802770106_100000210202 [0,2,0,0,0,0|1,0,1]=4 2054 B14R1.73 CCNC(CO)Cc1cccc(c1)C 2230a_100000716799_100000210202 [0,2,0,0,0,0|1,0,1]=4 2055 B14R1.73 CCNC(CO)Cc1cccc(c1)C 34a_100000716799_100000210202 [0,2,0,0,0,0|1,0,1]=4 2056 B14R1.73 CCNC(CO)Cc1cccc(c1)F 2230a_200012000099_100000210202 [0,2,0,0,0,0|1,0,1]=4 2057 B14R1.73 CCNC(CO)Cc1cccc(c1)F 34a_200012000099_100000210202 [0,2,0,0,0,0|1,0,1]=4 2058 B14R1.73 Cc1cccc(c1)CC(CO)NCF 34a_100000716799_100015361967 [0,2,0,0,0,0|1,0,1]=4 2059 B14R1.73 OCC(Cc1cccc(c1)Br)NCF 34a_114802770106_100015361967 [0,2,0,0,0,0|1,0,1]=4 2060 B14R1.73 OCC(Cc1cccc(c1)F)NCF 34a_200012000099_100015361967 [0,2,0,0,0,0|1,0,1]=4 2061 B14R1.950 CCNC(C)Cc1cc(ccc1Cl)Cl 270004a_100015525214_200012258975 [0,2,0,0,0,0|1,0,1]=4 2062 B14R1.950 CCNC(C)Cc1cc(ccc1F)F 270004a_100015525214_200011522264 [0,2,0,0,0,0|1,0,1]=4 2063 B14R1.950 CN(CC=O)Cc1cc(ccc1Br)Cl 2230a_100000711432_200015260668 [0,2,0,0,0,0|2,0,0]=4 2064 B14R1.950 CN(CC=O)Cc1cc(ccc1Br)Cl 269982a_100000711432_200015260668 [0,2,0,0,0,0|2,0,0]=4 2065 B14R1.950 CN(CC=O)Cc1cc(ccc1Cl)Cl 2230a_106354212996_200015260668 [0,2,0,0,0,0|2,0,0]=4 2066 B14R1.950 CN(CC=O)Cc1cc(ccc1Cl)Cl 269982a_106354212996_200015260668 [0,2,0,0,0,0|2,0,0]=4 2067 B14R1.950 CN(CC=O)Cc1cc(ccc1Cl)Cl 34a_106354212996_200009817547 [0,2,0,0,0,0|2,0,0]=4 2068 B14R1.950 CN(CC=O)Cc1cc(ccc1F)Br 2230a_100000748472_200015260668 [0,2,0,0,0,0|2,0,0]=4 2069 B14R1.950 CN(CC=O)Cc1cc(ccc1F)Br 269982a_100000748472_200015260668 [0,2,0,0,0,0|2,0,0]=4 2070 B14R1.950 CN(CC=O)Cc1cc(ccc1F)Br 34a_100000748472_200009817547 [0,2,0,0,0,0|2,0,0]=4 2071 B14R1.950 CN(CC=O)Cc1cc(ccc1F)F 2230a_100000724026_200015260668 [0,2,0,0,0,0|2,0,0]=4 2072 B14R1.950 CN(CC=O)Cc1cc(ccc1F)F 269982a_100000724026_200015260668 [0,2,0,0,0,0|2,0,0]=4 2073 B14R1.950 CN(CC=O)Cc1cc(ccc1F)F 34a_100000724026_200009817547 [0,2,0,0,0,0|2,0,0]=4 2074 B14R1.950 CN(CC=O)Cc1cc(ccc1O)Br 2230a_100011602694_200015260668 [0,2,0,0,0,0|2,0,0]=4 2075 B14R1.950 CN(CC=O)Cc1cc(ccc1O)Br 269982a_100011602694_200015260668 [0,2,0,0,0,0|2,0,0]=4 2076 B14R1.950 CN(CC=O)Cc1cc(ccc1O)Cl 2230a_100000712467_200015260668 [0,2,0,0,0,0|2,0,0]=4 2077 B14R1.950 CN(CC=O)Cc1cc(ccc1O)Cl 269982a_100000712467_200015260668 [0,2,0,0,0,0|2,0,0]=4 2078 B14R1.950 CN(CC=O)Cc1cc(ccc1O)F 2230a_114855342409_200015260668 [0,2,0,0,0,0|2,0,0]=4 2079 B14R1.950 CN(CC=O)Cc1cc(ccc1O)F 269982a_114855342409_200015260668 [0,2,0,0,0,0|2,0,0]=4 2080 B14R1.950 CN(CC=O)Cc1cc(ccc1O)F 34a_114855342409_200009817547 [0,2,0,0,0,0|2,0,0]=4 2081 B14R1.950 Cc1ccc(c(c1)CN(C)CC=O)F 2230a_102515433075_200015260668 [0,2,0,0,0,0|2,0,0]=4 2082 B14R1.950 Cc1ccc(c(c1)CN(C)CC=O)F 269982a_102515433075_200015260668 [0,2,0,0,0,0|2,0,0]=4 2083 B14R1.950 Cc1ccc(c(c1)CN(C)CC=O)F 34a_102515433075_200009817547 [0,2,0,0,0,0|2,0,0]=4 2084 B14R1.950 Cc1ccc(cc1CN(C)CC=O)Br 2230a_106744473289_200015260668 [0,2,0,0,0,0|2,0,0]=4 2085 B14R1.950 Cc1ccc(cc1CN(C)CC=O)Br 269982a_106744473289_200015260668 [0,2,0,0,0,0|2,0,0]=4 2086 B14R1.952 CCNC(C)Cc1cc(cc(c1)F)F 270004a_100015525214_200011487669 [0,2,0,0,0,0|1,0,1]=4 2087 B14R1.952 CN(CC=O)Cc1cc(cc(c1)Cl)Cl 2230a_100016988021_200015260668 [0,2,0,0,0,0|2,0,0]=4 2088 B14R1.952 CN(CC=O)Cc1cc(cc(c1)Cl)Cl 269982a_100016988021_200015260668 [0,2,0,0,0,0|2,0,0]=4 2089 B14R1.952 CN(CC=O)Cc1cc(cc(c1)Cl)Cl 34a_100016988021_200009817547 [0,2,0,0,0,0|2,0,0]=4 2090 B14R1.952 CN(CC=O)Cc1cc(cc(c1)F)F 2230a_100000720221_200015260668 [0,2,0,0,0,0|2,0,0]=4 2091 B14R1.952 CN(CC=O)Cc1cc(cc(c1)F)F 269982a_100000720221_200015260668 [0,2,0,0,0,0|2,0,0]=4 2092 B14R1.952 CN(CC=O)Cc1cc(cc(c1)F)F 34a_100000720221_200009817547 [0,2,0,0,0,0|2,0,0]=4 2093 B14R1.962 CCNC(C)Cc1cccc(c1)OC 270004a_100015525214_100011218204 [0,2,0,0,0,0|1,0,1]=4 2094 B14R1.962 CN(CC=O)Cc1cccc(c1)C#N 2230a_100000168042_200015260668 [0,2,0,0,0,0|2,0,0]=4 2095 B14R1.962 CN(CC=O)Cc1cccc(c1)C#N 269982a_100000168042_200015260668 [0,2,0,0,0,0|2,0,0]=4 2096 B14R1.962 CN(CC=O)Cc1cccc(c1)C#N 34a_100000168042_200009817547 [0,2,0,0,0,0|2,0,0]=4 2097 B14R1.962 COc1cccc(c1)CN(C)CC=O 2230a_100000184262_200015260668 [0,2,0,0,0,0|2,0,0]=4 2098 B14R1.962 COc1cccc(c1)CN(C)CC=O 269982a_100000184262_200015260668 [0,2,0,0,0,0|2,0,0]=4 2099 B14R1.962 CSc1cccc(c1)CN(C)CC=O 2230a_100011934695_200015260668 [0,2,0,0,0,0|2,0,0]=4 2100 B14R1.962 CSc1cccc(c1)CN(C)CC=O 269982a_100011934695_200015260668 [0,2,0,0,0,0|2,0,0]=4 2101 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Br 62a_100000691529_100009818208 [0,2,0,0,0,0|2,0,0]=4 2102 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Br 62a_100009818208_100000691529 [0,2,0,0,0,0|2,0,0]=4 2103 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)C 62a_100009818208_100011215228 [0,2,0,0,0,0|2,0,0]=4 2104 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)C 62a_100011215228_100009818208 [0,2,0,0,0,0|2,0,0]=4 2105 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Cl 62a_100000699651_100009818208 [0,2,0,0,0,0|2,0,0]=4 2106 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Cl 62a_100009818208_100000699651 [0,2,0,0,0,0|2,0,0]=4 2107 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)F 62a_100000685547_100009818208 [0,2,0,0,0,0|2,0,0]=4 2108 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)F 62a_100009818208_100000685547 [0,2,0,0,0,0|2,0,0]=4 2109 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)N 62a_100000210019_100009818208 [0,2,0,0,0,0|2,0,0]=4 2110 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)N 62a_100009818208_100000210019 [0,2,0,0,0,0|2,0,0]=4 2111 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)O 62a_100009818208_100000211634 [0,2,0,0,0,0|2,0,0]=4 2112 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)[S] 62a_100009818208_114929384022 [0,2,0,0,0,0|2,0,0]=4 2113 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)[S] 62a_114929384022_100009818208 [0,2,0,0,0,0|2,0,0]=4 2114 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 2230a_100000187585_100000747473 [0,2,0,0,0,0|2,0,0]=4 2115 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 2230a_100000739694_100000698116 [0,2,0,0,0,0|2,0,0]=4 2116 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 269982a_100000187585_100000187820 [0,2,0,0,0,0|2,0,0]=4 2117 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Br 270004a_100000739694_100000210085 [0,2,0,0,0,0|2,0,0]=4 2118 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 2230a_100000739694_100000181238 [0,2,0,0,0,0|2,0,0]=4 2119 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 2230a_100020629429_100000747473 [0,2,0,0,0,0|2,0,0]=4 2120 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 269982a_100020629429_100000187820 [0,2,0,0,0,0|2,0,0]=4 2121 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)Cl 270004a_100000739694_100000210801 [0,2,0,0,0,0|2,0,0]=4 2122 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 2230a_100000184398_100000747473 [0,2,0,0,0,0|2,0,0]=4 2123 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 2230a_100000739694_100000230114 [0,2,0,0,0,0|2,0,0]=4 2124 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 269982a_100000184398_100000187820 [0,2,0,0,0,0|2,0,0]=4 2125 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 270004a_100000739694_100000210812 [0,2,0,0,0,0|2,0,0]=4 2126 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)F 34a_100000184398_100000187820 [0,2,0,0,0,0|2,0,0]=4 2127 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)I 2230a_100000739694_100011218688 [0,2,0,0,0,0|2,0,0]=4 2128 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)I 270004a_100000739694_100000014684 [0,2,0,0,0,0|2,0,0]=4 2129 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000207540_100000747473 [0,2,0,0,0,0|2,0,0]=4 2130 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000739694_100011660834 [0,2,0,0,0,0|2,0,0]=4 2131 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 269982a_100000207540_100000187820 [0,2,0,0,0,0|2,0,0]=4 2132 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 270004a_100000739694_100000188321 [0,2,0,0,0,0|2,0,0]=4 2133 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,2,0,0,0,0|2,0,0]=4 2134 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,2,0,0,0,0|2,0,0]=4 2135 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,2,0,0,0,0|2,0,0]=4 2136 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,2,0,0,0,0|2,0,0]=4 2137 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,2,0,0,0,0|2,0,0]=4 2138 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,2,0,0,0,0|2,0,0]=4 2139 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)Br 269982a_100000187585_100020667443 [0,2,0,0,0,0|2,0,0]=4 2140 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)Cl 269982a_100020629429_100020667443 [0,2,0,0,0,0|2,0,0]=4 2141 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)F 269982a_100000184398_100020667443 [0,2,0,0,0,0|2,0,0]=4 2142 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)F 34a_100000184398_100020667443 [0,2,0,0,0,0|2,0,0]=4 2143 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)O 269982a_100000207540_100020667443 [0,2,0,0,0,0|2,0,0]=4 2144 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 2230a_100000739694_100000211840 [0,2,0,0,0,0|2,0,0]=4 2145 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 2230a_102495364743_100000747473 [0,2,0,0,0,0|2,0,0]=4 2146 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 269982a_102495364743_100000187820 [0,2,0,0,0,0|2,0,0]=4 2147 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 270004a_100000739694_100000211157 [0,2,0,0,0,0|2,0,0]=4 2148 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)N 34a_102495364743_100000187820 [0,2,0,0,0,0|2,0,0]=4 2149 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,2,0,0,0,0|2,0,0]=4 2150 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)[O-] 269982a_102495364743_100020667443 [0,2,0,0,0,0|2,0,0]=4 2151 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)[O-] 34a_102495364743_100020667443 [0,2,0,0,0,0|2,0,0]=4 2152 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,2,0,0,0,0|2,0,0]=4 2153 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [0,2,0,0,0,0|1,0,1]=4 2154 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100000748627_100102629194 [0,2,0,0,0,0|2,0,0]=4 2155 B14R1.158 C/C=C/COC(C)Cc1ccccc1 34a_100016270725_200011218536 [0,2,0,0,0,0|2,0,0]=4 2156 B14R1.158 C/C=C/COC(C)Cc1ccccc1 7a_100000748627_100102629194 [0,2,0,0,0,0|2,0,0]=4 2157 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_100102629194_200011218536 [0,2,0,0,0,0|2,0,0]=4 2158 B14R1.158 C/C=C/CSC(C)Cc1ccccc1 62a_200011218536_100102629194 [0,2,0,0,0,0|2,0,0]=4 2159 B14R1.158 C=CCCNC(C)C[n+]1ccccc1 270004a_100015191253_100000034229 [0,2,0,0,0,0|2,0,0]=4 2160 B14R1.158 C=CCCNC(C)Cc1ccccn1 2230a_100000238496_100000754431 [0,2,0,0,0,0|2,0,0]=4 2161 B14R1.158 C=CCCNC(C)Cc1cccnc1 2230a_100011207255_100000754431 [0,2,0,0,0,0|2,0,0]=4 2162 B14R1.158 C=CCCNC(C)Cc1cccnc1 270004a_100015191253_100015187140 [0,2,0,0,0,0|2,0,0]=4 2163 B14R1.158 C=CCCNC(C)Cc1ccncc1 270004a_100015191253_100000238508 [0,2,0,0,0,0|2,0,0]=4 2164 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100000748627_100000754431 [0,2,0,0,0,0|2,0,0]=4 2165 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100011205117_200011218536 [0,2,0,0,0,0|2,0,0]=4 2166 B14R1.158 C=CCCOC(C)Cc1ccccc1 7a_100000748627_100000754431 [0,2,0,0,0,0|2,0,0]=4 2167 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_100000754431_200011218536 [0,2,0,0,0,0|2,0,0]=4 2168 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_200011218536_100000754431 [0,2,0,0,0,0|2,0,0]=4 2169 B14R1.158 C=CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210623 [0,2,0,0,0,0|2,0,0]=4 2170 B14R1.158 C=CCNCC(C)Oc1ccccc1 34a_100000755676_100015514636 [0,2,0,0,0,0|2,0,0]=4 2171 B14R1.158 C=CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210623 [0,2,0,0,0,0|2,0,0]=4 2172 B14R1.158 C=CCNC[C@@H](O)Cc1ccccc1 2230a_100020586998_100000729385 [0,2,0,0,0,0|2,0,0]=4 2173 B14R1.158 C=CCOCC(C)Cc1ccccc1 34a_100012125295_100015514636 [0,2,0,0,0,0|2,0,0]=4 2174 B14R1.158 C=CCOCC(C)Cc1ccccc1 7a_100012125295_100015514636 [0,2,0,0,0,0|2,0,0]=4 2175 B14R1.158 CC#CCNC(C)Cc1ccccc1 34a_100000685387_200011218536 [0,2,0,0,0,0|1,0,1]=4 2176 B14R1.158 CC(CNCC=O)Oc1ccccc1 2230a_100000755676_200015260668 [0,2,0,0,0,0|1,0,0]=3 2177 B14R1.158 CC(CNCC=O)Oc1ccccc1 34a_100000755676_200009817547 [0,2,0,0,0,0|1,0,0]=3 2178 B14R1.158 CC(CNCC=O)Oc1cccnc1 2230a_200011219418_200015260668 [0,2,0,0,0,0|2,0,0]=4 2179 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,2,0,0,0,0|1,0,0]=3 2180 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,2,0,0,0,0|1,0,0]=3 2181 B14R1.158 CC(COCC=O)Oc1ccccc1 34a_200000036796_200009817547 [0,2,0,0,0,0|2,0,0]=4 2182 B14R1.158 CC(COCC=O)Oc1ccccc1 7a_200000036796_200015260668 [0,2,0,0,0,0|2,0,0]=4 2183 B14R1.158 CC(Cc1ccccc1)NCCCF 34a_100015189416_200011218536 [0,2,0,0,0,0|1,0,1]=4 2184 B14R1.158 CC=CCNC(C)Cc1ccccn1 2230a_100000238496_100000070051 [0,2,0,0,0,0|2,0,0]=4 2185 B14R1.158 CC=CCNC(C)Cc1cccnc1 2230a_100011207255_100000070051 [0,2,0,0,0,0|2,0,0]=4 2186 B14R1.158 CC=CCOC(C)Cc1ccccc1 34a_100000748627_100000070051 [0,2,0,0,0,0|2,0,0]=4 2187 B14R1.158 CC=CCOC(C)Cc1ccccc1 7a_100000748627_100000070051 [0,2,0,0,0,0|2,0,0]=4 2188 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_100000070051_200011218536 [0,2,0,0,0,0|2,0,0]=4 2189 B14R1.158 CC=CCSC(C)Cc1ccccc1 62a_200011218536_100000070051 [0,2,0,0,0,0|2,0,0]=4 2190 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,2,0,0,0,0|1,0,1]=4 2191 B14R1.158 CN(CCCC=O)Cc1ccccc1 2230a_100000186898_200011292268 [0,2,0,0,0,0|2,0,0]=4 2192 B14R1.158 CN(CCCC=O)Cc1ccccc1 269982a_100000186898_200011292268 [0,2,0,0,0,0|2,0,0]=4 2193 B14R1.158 NC(COCC=O)Cc1ccccc1 34a_100000739027_200009817547 [0,2,0,0,0,0|2,0,0]=4 2194 B14R1.158 O=CCNCC(O)Cc1ccccc1 2230a_100000752270_200015260668 [0,2,0,0,0,0|1,0,0]=3 2195 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_200015260668 [0,2,0,0,0,0|2,0,0]=4 2196 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_200015260668_100000729385 [0,2,0,0,0,0|2,0,0]=4 2197 B14R1.166 C=CCNC(C)C(=O)c1ccccc1 2230a_100020586998_100000239700 [0,2,0,0,0,0|1,0,1]=4 2198 B14R1.166 C=CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100015514636 [0,2,0,0,0,0|2,0,0]=4 2199 B14R1.166 CC(SCC=O)C(=O)c1ccccc1 62a_100000239700_200015260668 [0,2,0,0,0,0|1,0,1]=4 2200 B14R1.166 CC(SCC=O)C(=O)c1ccccc1 62a_200015260668_100000239700 [0,2,0,0,0,0|1,0,1]=4 2201 B14R1.166 C[C@H](OCC=O)[C@@H](N)c1ccccc1 34a_100134616770_200009817547 [0,2,0,0,0,0|1,0,0]=3 2202 B14R1.423 C=C(C)CNC(C)Cc1ccccn1 2230a_100000238496_100000748629 [0,2,0,0,0,0|2,0,0]=4 2203 B14R1.423 C=C(C)CNC(C)Cc1cccnc1 2230a_100011207255_100000748629 [0,2,0,0,0,0|2,0,0]=4 2204 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000210245_200011218536 [0,2,0,0,0,0|2,0,0]=4 2205 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000748627_100000748629 [0,2,0,0,0,0|2,0,0]=4 2206 B14R1.423 C=C(C)COC(C)Cc1ccccc1 7a_100000748627_100000748629 [0,2,0,0,0,0|2,0,0]=4 2207 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_100000748629_200011218536 [0,2,0,0,0,0|2,0,0]=4 2208 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_200011218536_100000211660 [0,2,0,0,0,0|2,0,0]=4 2209 B14R1.423 C=C(F)CNC(C)Cc1ccccn1 2230a_100000238496_100009893438 [0,2,0,0,0,0|2,0,0]=4 2210 B14R1.423 C=C(F)CNC(C)Cc1cccnc1 2230a_100011207255_100009893438 [0,2,0,0,0,0|2,0,0]=4 2211 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_100000748627_100009893438 [0,2,0,0,0,0|2,0,0]=4 2212 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_200010262243_200011218536 [0,2,0,0,0,0|2,0,0]=4 2213 B14R1.423 C=C(F)COC(C)Cc1ccccc1 7a_100000748627_100000042424 [0,2,0,0,0,0|2,0,0]=4 2214 B14R1.423 C=C(F)CSC(C)Cc1ccccc1 62a_100000042424_200011218536 [0,2,0,0,0,0|2,0,0]=4 2215 B14R1.423 C=C(F)CSC(C)Cc1ccccc1 62a_200011218536_100000042424 [0,2,0,0,0,0|2,0,0]=4 2216 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [0,2,0,0,0,0|2,0,0]=4 2217 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [0,2,0,0,0,0|2,0,0]=4 2218 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [0,2,0,0,0,0|2,0,0]=4 2219 B14R1.423 CC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200000210301 [0,2,0,0,0,0|1,0,1]=4 2220 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [0,2,0,0,0,0|1,0,0]=3 2221 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [0,2,0,0,0,0|1,0,1]=4 2222 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100015343762 [0,2,0,0,0,0|1,0,0]=3 2223 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100015343762 [0,2,0,0,0,0|1,0,0]=3 2224 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100015343762 [0,2,0,0,0,0|1,0,0]=3 2225 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100103153847 [0,2,0,0,0,0|1,0,0]=3 2226 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 11a_200011219418_100015343762 [0,2,0,0,0,0|2,0,0]=4 2227 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 1626a_200011219418_100015343762 [0,2,0,0,0,0|2,0,0]=4 2228 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 240690a_200011219418_100015343762 [0,2,0,0,0,0|2,0,0]=4 2229 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 527a_200011219418_100103153847 [0,2,0,0,0,0|2,0,0]=4 2230 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,2,0,0,0,0|1,0,0]=3 2231 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,2,0,0,0,0|1,0,0]=3 2232 B14R1.423 CC(=O)NN=C(C)C[n+]1ccccc1 4a_100000189765_100000034229 [0,2,0,0,0,0|1,0,1]=4 2233 B14R1.423 CC(=O)NNC(=O)Cc1ccccc1 22a_100000182964_100000070787 [0,2,0,0,0,0|1,0,1]=4 2234 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [0,2,0,0,0,0|2,0,0]=4 2235 B14R1.423 CC(C)CNC(C)Cc1ccccc1 34a_100000210953_200011218536 [0,2,0,0,0,0|1,0,1]=4 2236 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,2,0,0,0,0|0,0,0]=2 2237 B14R1.423 CC(Cc1ccccc1)NCC(F)F 34a_100000765723_200011218536 [0,2,0,0,0,0|1,0,1]=4 2238 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,2,0,0,0,0|1,0,0]=3 2239 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,2,0,0,0,0|1,0,0]=3 2240 B14R1.423 CC(Cc1ccccc1)OCC(=O)[O-] 34a_100000748627_100020667443 [0,2,0,0,0,0|1,0,0]=3 2241 B14R1.423 CC(Cc1ccccc1)OC[N+](=O)[O-] 34a_100000748627_100000761209 [0,2,0,0,0,0|1,0,1]=4 2242 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,2,0,0,0,0|1,0,0]=3 2243 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,2,0,0,0,0|1,0,0]=3 2244 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_200011218536 [0,2,0,0,0,0|1,0,0]=3 2245 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_200011218536_100020667443 [0,2,0,0,0,0|1,0,0]=3 2246 B14R1.423 CC(Cc1ccccc1)SC[N+](=O)[O-] 62a_200011218536_100000761209 [0,2,0,0,0,0|1,0,1]=4 2247 B14R1.423 CC(Cc1ccccn1)NCC(=O)N 2230a_100000238496_100000747473 [0,2,0,0,0,0|1,0,0]=3 2248 B14R1.423 CC(Cc1cccnc1)NCC(=O)N 2230a_100011207255_100000747473 [0,2,0,0,0,0|1,0,0]=3 2249 B14R1.423 CC(Cc1cnccn1)NCC(=O)N 2230a_100011277835_100000747473 [0,2,0,0,0,0|2,0,0]=4 2250 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,2,0,0,0,0|0,0,2]=4 2251 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [0,2,0,0,0,0|2,0,0]=4 2252 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [0,2,0,0,0,0|2,0,0]=4 2253 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [0,2,0,0,0,0|2,0,0]=4 2254 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [0,2,0,0,0,0|2,0,0]=4 2255 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [0,2,0,0,0,0|2,0,0]=4 2256 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [0,2,0,0,0,0|2,0,0]=4 2257 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [0,2,0,0,0,0|2,0,0]=4 2258 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,2,0,0,0,0|1,0,1]=4 2259 B14R1.423 [13CH3]C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_200025704644 [0,2,0,0,0,0|1,0,1]=4 2260 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [0,2,0,0,0,0|2,0,0]=4 2261 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [0,2,0,0,0,0|2,0,0]=4 2262 B14R1.467 C#CC(Cc1ccccc1)OCC=O 34a_100000685211_200009817547 [0,2,0,0,0,0|1,0,1]=4 2263 B14R1.467 C#CC(Cc1ccccc1)OCC=O 7a_100000685211_200015260668 [0,2,0,0,0,0|1,0,1]=4 2264 B14R1.467 C#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000038162 [0,2,0,0,0,0|1,0,1]=4 2265 B14R1.467 C=CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210623 [0,2,0,0,0,0|1,0,1]=4 2266 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [0,2,0,0,0,0|1,0,0]=3 2267 B14R1.467 C=CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210623 [0,2,0,0,0,0|1,0,0]=3 2268 B14R1.467 C=CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210623 [0,2,0,0,0,0|2,0,0]=4 2269 B14R1.467 C=CCNC(CO)Cc1ccncc1 2230a_100000717866_100000210623 [0,2,0,0,0,0|2,0,0]=4 2270 B14R1.467 C=CCOC(CC)Cc1ccccc1 7a_100000760156_100015514636 [0,2,0,0,0,0|2,0,0]=4 2271 B14R1.467 C=CCOC(CN)Cc1ccccc1 34a_100000752270_100015514636 [0,2,0,0,0,0|2,0,0]=4 2272 B14R1.467 C=CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015514636 [0,2,0,0,0,0|2,0,0]=4 2273 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [0,2,0,0,0,0|0,0,2]=4 2274 B14R1.467 CCC(Cc1ccccc1)OCC=O 7a_100000760156_200015260668 [0,2,0,0,0,0|1,0,0]=3 2275 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [0,2,0,0,0,0|1,0,1]=4 2276 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [0,2,0,0,0,0|1,0,1]=4 2277 B14R1.467 CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210202 [0,2,0,0,0,0|1,0,1]=4 2278 B14R1.467 COCNC(CO)Cc1ccccc1 2230a_100000739027_100000766300 [0,2,0,0,0,0|0,0,2]=4 2279 B14R1.467 CSCNC(CO)Cc1ccccc1 2230a_100000739027_100011218213 [0,2,0,0,0,0|0,1,1]=4 2280 B14R1.467 N#CC(Cc1ccccc1)NCC=O 2230a_100000746547_200015260668 [0,2,0,0,0,0|0,0,1]=3 2281 B14R1.467 N#CC(Cc1ccccc1)SCC=O 62a_100000183401_200015260668 [0,2,0,0,0,0|1,0,1]=4 2282 B14R1.467 N#CC(Cc1ccccc1)SCC=O 62a_200015260668_100000183401 [0,2,0,0,0,0|1,0,1]=4 2283 B14R1.467 N#CCNC(CO)Cc1ccccc1 2230a_100000739027_100011215382 [0,2,0,0,0,0|1,0,1]=4 2284 B14R1.467 NCC(Cc1ccccc1)OCC=O 34a_100000752270_200009817547 [0,2,0,0,0,0|1,0,0]=3 2285 B14R1.467 O=CCNC(CO)Cc1ccccc1 2230a_100000739027_200015260668 [0,2,0,0,0,0|0,0,0]=2 2286 B14R1.467 O=CCNC(CO)Cc1cccnc1 2230a_100000717814_200015260668 [0,2,0,0,0,0|1,0,0]=3 2287 B14R1.467 O=CCNC(CO)Cc1ccncc1 2230a_100000717866_200015260668 [0,2,0,0,0,0|1,0,0]=3 2288 B14R1.467 O=CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_200015260668 [0,2,0,0,0,0|1,0,0]=3 2289 B14R1.467 OCC(CNCF)Cc1ccccc1 34a_100160572655_100015361967 [0,2,0,0,0,0|1,0,1]=4 2290 B14R1.467 OCC(Cc1ccccc1)NCCF 2230a_100000739027_100011217306 [0,2,0,0,0,0|1,0,1]=4 2291 B14R1.467 OCCNC(CO)Cc1ccccc1 2230a_100000739027_100000211926 [0,2,0,0,0,0|0,0,2]=4 2292 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 34a_100000707721_200011218536 [0,2,0,0,0,0|1,0,1]=4 2293 B14R1.743 C=CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000185746 [0,2,0,0,0,0|1,0,0]=3 2294 B14R1.743 C=CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_200121576911 [0,2,0,0,0,0|1,0,0]=3 2295 B14R1.743 C=CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000185746 [0,2,0,0,0,0|1,0,0]=3 2296 B14R1.743 C=CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_200121576911 [0,2,0,0,0,0|1,0,0]=3 2297 B14R1.743 C=CC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100000185746 [0,2,0,0,0,0|2,0,0]=4 2298 B14R1.743 C=CC(=O)NC(C)Cc1cnccn1 240690a_100011277835_200121576911 [0,2,0,0,0,0|2,0,0]=4 2299 B14R1.743 C=CC(C)OC(C)Cc1ccccc1 34a_100000695699_200011218536 [0,2,0,0,0,0|2,0,0]=4 2300 B14R1.743 C=CC(C)SC(C)Cc1ccccc1 62a_100011215867_200011218536 [0,2,0,0,0,0|2,0,0]=4 2301 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 240690a_100000238496_100000210174 [0,2,0,0,0,0|1,0,0]=3 2302 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 527a_100000238496_100000210174 [0,2,0,0,0,0|1,0,0]=3 2303 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 240690a_100011207255_100000210174 [0,2,0,0,0,0|1,0,0]=3 2304 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 527a_100011207255_100000210174 [0,2,0,0,0,0|1,0,0]=3 2305 B14R1.743 CC(Cc1cnccn1)NC(=O)CO 240690a_100011277835_100000210174 [0,2,0,0,0,0|2,0,0]=4 2306 B14R1.743 CC(Cc1cnccn1)NC(=O)CO 527a_100011277835_100000210174 [0,2,0,0,0,0|2,0,0]=4 2307 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210202 [0,2,0,0,0,0|2,0,0]=4 2308 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747405 [0,2,0,0,0,0|2,0,0]=4 2309 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000210414 [0,2,0,0,0,0|1,0,0]=3 2310 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000210414 [0,2,0,0,0,0|1,0,0]=3 2311 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000210414 [0,2,0,0,0,0|1,0,0]=3 2312 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000210414 [0,2,0,0,0,0|1,0,0]=3 2313 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000210414 [0,2,0,0,0,0|1,0,0]=3 2314 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000210414 [0,2,0,0,0,0|1,0,0]=3 2315 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000210414 [0,2,0,0,0,0|1,0,0]=3 2316 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000210414 [0,2,0,0,0,0|1,0,0]=3 2317 B14R1.743 CCC(=O)NC(C)Cc1cnccn1 11a_100011277835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2318 B14R1.743 CCC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2319 B14R1.743 CCC(=O)NC(C)Cc1cnccn1 240690a_100011277835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2320 B14R1.743 CCC(=O)NC(C)Cc1cnccn1 527a_100011277835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2321 B14R1.743 CN(CC(=O)CF)Cc1ccccc1 1458a_100000745601_100015361967 [0,2,0,0,0,0|2,0,0]=4 2322 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 11a_106832991635_100000745601 [0,2,0,0,0,0|2,0,0]=4 2323 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000183359 [0,2,0,0,0,0|2,0,0]=4 2324 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000189611_100015291786 [0,2,0,0,0,0|2,0,0]=4 2325 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 240690a_100102657272_100000745601 [0,2,0,0,0,0|2,0,0]=4 2326 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000183359 [0,2,0,0,0,0|2,0,0]=4 2327 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 270004a_100000189611_100015611070 [0,2,0,0,0,0|2,0,0]=4 2328 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 527a_100102657272_100000745601 [0,2,0,0,0,0|2,0,0]=4 2329 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 2708a_100000238496_106832991635 [0,2,0,0,0,0|1,0,0]=3 2330 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 2708a_100102657272_100000238496 [0,2,0,0,0,0|1,0,0]=3 2331 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 273464a_100000238496_100102657272 [0,2,0,0,0,0|1,0,0]=3 2332 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 273464a_100102657272_100000238496 [0,2,0,0,0,0|1,0,0]=3 2333 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 512a_100000238496_100102657272 [0,2,0,0,0,0|1,0,0]=3 2334 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 512a_106832991638_100000238496 [0,2,0,0,0,0|1,0,0]=3 2335 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 2708a_100011207255_106832991635 [0,2,0,0,0,0|1,0,0]=3 2336 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 2708a_100102657272_100011207255 [0,2,0,0,0,0|1,0,0]=3 2337 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 273464a_100011207255_100102657272 [0,2,0,0,0,0|1,0,0]=3 2338 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 273464a_100102657272_100011207255 [0,2,0,0,0,0|1,0,0]=3 2339 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 512a_100011207255_100102657272 [0,2,0,0,0,0|1,0,0]=3 2340 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 512a_106832991638_100011207255 [0,2,0,0,0,0|1,0,0]=3 2341 B14R1.743 CNC(=O)NC(C)Cc1cnccn1 2708a_100011277835_106832991635 [0,2,0,0,0,0|2,0,0]=4 2342 B14R1.743 CNC(=O)NC(C)Cc1cnccn1 2708a_100102657272_100011277835 [0,2,0,0,0,0|2,0,0]=4 2343 B14R1.743 CNC(=O)NC(C)Cc1cnccn1 273464a_100011277835_100102657272 [0,2,0,0,0,0|2,0,0]=4 2344 B14R1.743 CNC(=O)NC(C)Cc1cnccn1 512a_100011277835_100102657272 [0,2,0,0,0,0|2,0,0]=4 2345 B14R1.743 CNC(=O)NC(C)Cc1cnccn1 512a_106832991638_100011277835 [0,2,0,0,0,0|2,0,0]=4 2346 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,2,0,0,0,0|2,0,0]=4 2347 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,2,0,0,0,0|2,0,0]=4 2348 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,2,0,0,0,0|2,0,0]=4 2349 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,2,0,0,0,0|2,0,0]=4 2350 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,2,0,0,0,0|2,0,0]=4 2351 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,2,0,0,0,0|2,0,0]=4 2352 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,2,0,0,0,0|2,0,0]=4 2353 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,2,0,0,0,0|2,0,0]=4 2354 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,2,0,0,0,0|2,0,0]=4 2355 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,2,0,0,0,0|2,0,0]=4 2356 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,2,0,0,0,0|2,0,0]=4 2357 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,2,0,0,0,0|2,0,0]=4 2358 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,2,0,0,0,0|2,0,0]=4 2359 B14R1.946 C=CCNC(C)Cc1ccccc1Br 270004a_100020586998_100011350739 [0,2,0,0,0,0|1,0,0]=3 2360 B14R1.946 C=CCNC(C)Cc1ccccc1C 270004a_100020586998_200000764500 [0,2,0,0,0,0|1,0,0]=3 2361 B14R1.946 C=CCNC(C)Cc1ccccc1Cl 270004a_100020586998_100000758791 [0,2,0,0,0,0|1,0,0]=3 2362 B14R1.946 C=CCNC(C)Cc1ccccc1F 270004a_100020586998_100000709178 [0,2,0,0,0,0|1,0,0]=3 2363 B14R1.946 C=CCNC(C)Cc1ncccc1C 270004a_100020586998_100011823981 [0,2,0,0,0,0|2,0,0]=4 2364 B14R1.946 CC(Cc1ccccc1Br)NCCO 270004a_100000210304_100011350739 [0,2,0,0,0,0|0,0,2]=4 2365 B14R1.946 CC(Cc1ccccc1Cl)NCCO 270004a_100000210304_100000758791 [0,2,0,0,0,0|0,0,2]=4 2366 B14R1.946 CC(Cc1ccccc1F)NCCO 270004a_100000210304_100000709178 [0,2,0,0,0,0|0,0,2]=4 2367 B14R1.946 CCCNC(C)Cc1ccccc1Br 270004a_100020643023_100011350739 [0,2,0,0,0,0|1,0,1]=4 2368 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [0,2,0,0,0,0|1,0,1]=4 2369 B14R1.946 CCCNC(C)Cc1ccccc1Cl 270004a_100020643023_100000758791 [0,2,0,0,0,0|1,0,1]=4 2370 B14R1.946 CCCNC(C)Cc1ccccc1F 270004a_100020643023_100000709178 [0,2,0,0,0,0|1,0,1]=4 2371 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [0,2,0,0,0,0|0,0,2]=4 2372 B14R1.4528 C=CCOC(C)(C)Cc1ccccc1 7a_100011215222_100015514636 [0,2,0,0,0,0|2,0,0]=4 2373 B14R1.4528 CC(C)(Cc1ccccc1)OCC=O 7a_100011215222_200015260668 [0,2,0,0,0,0|1,0,0]=3 2374 B14R1.417 CC(=O)OC(C)C(=O)c1ccccc1 1458a_100000185807_100009818208 [0,2,0,0,0,0|1,0,1]=4 2375 B14R1.417 CC(=O)OC(C)N(C)c1ccccc1 269982a_100000210012_100009818208 [0,2,0,0,0,0|2,0,0]=4 2376 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [0,2,0,0,0,0|2,0,0]=4 2377 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [0,2,0,0,0,0|2,0,0]=4 2378 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [0,2,0,0,0,0|2,0,0]=4 2379 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,2,0,0,0,0|2,0,0]=4 2380 B14R1.417 CC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000195388_100020667443 [0,2,0,0,0,0|2,0,0]=4 2381 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2382 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2383 B14R1.478 CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000210202 [0,2,0,0,0,0|1,0,1]=4 2384 B14R1.604 CCC(c1ccccc1)N(C)CC=O 2230a_100000737544_200015260668 [0,2,0,0,0,0|2,0,0]=4 2385 B14R1.604 CCC(c1ccccc1)N(C)CC=O 269982a_100000737544_200015260668 [0,2,0,0,0,0|2,0,0]=4 2386 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 2230a_100000692418_200015260668 [0,2,0,0,0,0|2,0,0]=4 2387 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 269982a_100000692418_200015260668 [0,2,0,0,0,0|2,0,0]=4 2388 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 2230a_100000231110_200015260668 [0,2,0,0,0,0|2,0,0]=4 2389 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 269982a_100000231110_200015260668 [0,2,0,0,0,0|2,0,0]=4 2390 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 34a_100000231110_200009817547 [0,2,0,0,0,0|2,0,0]=4 2391 B14R1.210 CCN(CC=O)Cc1ccccc1C 2230a_100000201206_200015260668 [0,2,0,0,0,0|2,0,0]=4 2392 B14R1.210 CCN(CC=O)Cc1ccccc1C 269982a_100000201206_200015260668 [0,2,0,0,0,0|2,0,0]=4 2393 B14R1.210 CCN(CC=O)Cc1ccccc1Cl 2230a_100000201176_200015260668 [0,2,0,0,0,0|2,0,0]=4 2394 B14R1.210 CCN(CC=O)Cc1ccccc1Cl 269982a_100000201176_200015260668 [0,2,0,0,0,0|2,0,0]=4 2395 B14R1.210 CCN(CC=O)Cc1ccccc1F 2230a_100015186831_200015260668 [0,2,0,0,0,0|2,0,0]=4 2396 B14R1.210 CCN(CC=O)Cc1ccccc1F 269982a_100015186831_200015260668 [0,2,0,0,0,0|2,0,0]=4 2397 B14R1.210 CCN(CC=O)Cc1ccccc1F 34a_100015186831_200009817547 [0,2,0,0,0,0|2,0,0]=4 2398 B14R1.210 CCN(CC=O)Cc1ccccc1O 2230a_100011223546_200015260668 [0,2,0,0,0,0|2,0,0]=4 2399 B14R1.210 CCN(CC=O)Cc1ccccc1O 269982a_100011223546_200015260668 [0,2,0,0,0,0|2,0,0]=4 2400 B14R1.210 CCNC(CO)Cc1ccccc1Cl 2230a_100012001541_100000210202 [0,2,0,0,0,0|1,0,1]=4 2401 B14R1.210 CCNC(CO)Cc1ccccc1Cl 34a_100012001541_100000210202 [0,2,0,0,0,0|1,0,1]=4 2402 B14R1.210 OCC(Cc1ccccc1Cl)NCF 34a_100012001541_100015361967 [0,2,0,0,0,0|1,0,1]=4 2403 B14R1.494 C#CCN(CC=O)Cc1ccccc1 2230a_100000730907_200015260668 [0,2,0,0,0,0|2,0,0]=4 2404 B14R1.494 C#CCN(CC=O)Cc1ccccc1 269982a_100000730907_200015260668 [0,2,0,0,0,0|2,0,0]=4 2405 B14R1.494 C#CCN(CC=O)Cc1ccccc1 34a_100000730907_200009817547 [0,2,0,0,0,0|2,0,0]=4 2406 B14R1.494 C=CCN(CC=O)Cc1ccccc1 2230a_100000196212_200015260668 [0,2,0,0,0,0|2,0,0]=4 2407 B14R1.494 C=CCN(CC=O)Cc1ccccc1 269982a_100000196212_200015260668 [0,2,0,0,0,0|2,0,0]=4 2408 B14R1.494 CCCN(CC=O)Cc1ccccc1 2230a_100000184400_200015260668 [0,2,0,0,0,0|2,0,0]=4 2409 B14R1.494 CCCN(CC=O)Cc1ccccc1 269982a_100000184400_200015260668 [0,2,0,0,0,0|2,0,0]=4 2410 B14R1.494 CCNC(COC)Cc1ccccc1 2230a_100000766165_100000210202 [0,2,0,0,0,0|1,0,1]=4 2411 B14R1.494 N#CCN(CC=O)Cc1ccccc1 2230a_100000743013_200015260668 [0,2,0,0,0,0|2,0,0]=4 2412 B14R1.494 O=CCN(CCO)Cc1ccccc1 2230a_100000180844_200015260668 [0,2,0,0,0,0|2,0,0]=4 2413 B14R1.494 O=CCN(CCO)Cc1ccccc1 269982a_100000180844_200015260668 [0,2,0,0,0,0|2,0,0]=4 2414 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 11a_100000746547_100015343762 [0,2,0,0,0,0|0,0,1]=3 2415 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100015343762 [0,2,0,0,0,0|0,0,1]=3 2416 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100015343762 [0,2,0,0,0,0|0,0,1]=3 2417 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 527a_100000746547_100103153847 [0,2,0,0,0,0|0,0,1]=3 2418 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,2,0,0,0,0|0,0,0]=2 2419 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,2,0,0,0,0|0,0,0]=2 2420 B14R1.549 CC(=O)NC(CO)Cc1cccnc1 240690a_100000717814_100015343762 [0,2,0,0,0,0|1,0,0]=3 2421 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 240690a_100000717866_100015343762 [0,2,0,0,0,0|1,0,0]=3 2422 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 527a_100000717866_100103153847 [0,2,0,0,0,0|1,0,0]=3 2423 B14R1.549 CC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000210206 [0,2,0,0,0,0|1,0,1]=4 2424 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 2230a_100000186914_100000747473 [0,2,0,0,0,0|2,0,0]=4 2425 B14R1.549 CCN(CC(=O)N)Cc1ccccc1 269982a_100000186914_100000187820 [0,2,0,0,0,0|2,0,0]=4 2426 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,2,0,0,0,0|2,0,0]=4 2427 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,2,0,0,0,0|2,0,0]=4 2428 B14R1.549 CCN(CC(=O)[O-])Cc1ccccc1 269982a_100000186914_100020667443 [0,2,0,0,0,0|2,0,0]=4 2429 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,2,0,0,0,0|1,0,0]=3 2430 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,2,0,0,0,0|2,0,0]=4 2431 B14R1.549 O=C([O-])CN(CO)Cc1ccccc1 269956a_100016989150_100015291786 [0,2,0,0,0,0|2,0,0]=4 2432 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,2,0,0,0,0|1,0,0]=3 2433 B14R1.980 CC(C)N(CC=O)Cc1ccccc1 2230a_100000068392_200015260668 [0,2,0,0,0,0|2,0,0]=4 2434 B14R1.980 CC(C)N(CC=O)Cc1ccccc1 269982a_100000068392_200015260668 [0,2,0,0,0,0|2,0,0]=4 2435 B14R1.980 CCNC(Cc1ccccc1)C(C)C 270004a_100015525214_200000703227 [0,2,0,0,0,0|1,0,1]=4 2436 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210202 [0,2,0,0,0,0|1,0,1]=4 2437 B14R1.1031 CCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000204670 [0,2,0,0,0,0|1,0,1]=4 2438 B14R1.1031 CN(CF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100015361967 [0,2,0,0,0,0|1,0,1]=4 2439 B14R1.425 C=C(C)C(=O)C(C)Cc1ccccc1 1458a_100000185857_200011218536 [0,2,0,0,0,0|2,0,0]=4 2440 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 1458a_100000757622_200000210301 [0,2,0,0,0,0|2,0,0]=4 2441 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100009814033 [0,2,0,0,0,0|2,0,0]=4 2442 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100009814033 [0,2,0,0,0,0|2,0,0]=4 2443 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 11a_200011351704_100015343762 [0,2,0,0,0,0|1,0,0]=3 2444 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 1626a_200011351704_100015343762 [0,2,0,0,0,0|1,0,0]=3 2445 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 240690a_200011351704_100015343762 [0,2,0,0,0,0|1,0,0]=3 2446 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 527a_200011351704_100103153847 [0,2,0,0,0,0|1,0,0]=3 2447 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 2230a_100000186898_100000702099 [0,2,0,0,0,0|2,0,0]=4 2448 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 269982a_100000186898_100000184083 [0,2,0,0,0,0|2,0,0]=4 2449 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,2,0,0,0,0|2,0,0]=4 2450 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,2,0,0,0,0|2,0,0]=4 2451 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,2,0,0,0,0|2,0,0]=4 2452 B14R1.425 CC(C(=O)[13CH3])N(C)Cc1ccccc1 1458a_100000757622_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B14R1.425 CC(C)N(C)C(C)Cc1ccccc1 269982a_200000211004_200011218536 [0,2,0,0,0,0|1,0,1]=4 2454 B14R1.425 CN(Cc1ccccc1)C(=O)C(=O)N 240690a_100000186898_100011215815 [0,2,0,0,0,0|2,0,0]=4 2455 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 2230a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 2456 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 269982a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 2457 B14R1.532 CCN(CC)C(C)Cc1ccccc1 269956a_100000042499_200011218536 [0,2,0,0,0,0|1,0,1]=4 2458 B14R1.532 CCN(CC)C(C)Cc1ccccc1 269982a_100000724800_200011218536 [0,2,0,0,0,0|1,0,1]=4 2459 B14R1.532 CN(Cc1ccccc1)C(C=O)C=O 2230a_100000186898_100000736813 [0,2,0,0,0,0|2,0,0]=4 2460 B14R1.337 CC(=O)CN(C)Cc1ccccc1F 1458a_100015184060_200000210301 [0,2,0,0,0,0|2,0,0]=4 2461 B14R1.337 CC(=O)OC(C)Sc1ccccc1Br 62a_100000695589_100009818208 [0,2,0,0,0,0|2,0,0]=4 2462 B14R1.337 CC(=O)OC(C)Sc1ccccc1Br 62a_100009818208_100000695589 [0,2,0,0,0,0|2,0,0]=4 2463 B14R1.337 CC(=O)OC(C)Sc1ccccc1C 62a_100000210755_100009818208 [0,2,0,0,0,0|2,0,0]=4 2464 B14R1.337 CC(=O)OC(C)Sc1ccccc1C 62a_100009818208_100000210755 [0,2,0,0,0,0|2,0,0]=4 2465 B14R1.337 CC(=O)OC(C)Sc1ccccc1Cl 62a_100000764095_100009818208 [0,2,0,0,0,0|2,0,0]=4 2466 B14R1.337 CC(=O)OC(C)Sc1ccccc1Cl 62a_100009818208_100000764095 [0,2,0,0,0,0|2,0,0]=4 2467 B14R1.337 CC(=O)OC(C)Sc1ccccc1F 62a_100009818208_100011215700 [0,2,0,0,0,0|2,0,0]=4 2468 B14R1.337 CC(=O)OC(C)Sc1ccccc1F 62a_100011215700_100009818208 [0,2,0,0,0,0|2,0,0]=4 2469 B14R1.337 CC(=O)OC(C)Sc1ccccc1N 62a_100000210017_100009818208 [0,2,0,0,0,0|2,0,0]=4 2470 B14R1.337 CC(=O)OC(C)Sc1ccccc1N 62a_100009818208_100000210017 [0,2,0,0,0,0|2,0,0]=4 2471 B14R1.337 CC(=O)OC(C)Sc1ccccc1O 62a_100000739446_100009818208 [0,2,0,0,0,0|2,0,0]=4 2472 B14R1.337 CC(=O)OC(C)Sc1ccccc1O 62a_100009818208_100000739446 [0,2,0,0,0,0|2,0,0]=4 2473 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 2230a_100000184654_100000747473 [0,2,0,0,0,0|2,0,0]=4 2474 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 2230a_100000739694_100000184730 [0,2,0,0,0,0|2,0,0]=4 2475 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 269982a_100000184654_100000187820 [0,2,0,0,0,0|2,0,0]=4 2476 B14R1.337 CN(CC(=O)N)Cc1ccccc1Br 270004a_100000739694_100000211189 [0,2,0,0,0,0|2,0,0]=4 2477 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 2230a_100000184507_100000747473 [0,2,0,0,0,0|2,0,0]=4 2478 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 2230a_100000739694_100000187162 [0,2,0,0,0,0|2,0,0]=4 2479 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 269982a_100000184507_100000187820 [0,2,0,0,0,0|2,0,0]=4 2480 B14R1.337 CN(CC(=O)N)Cc1ccccc1Cl 270004a_100000739694_100000210073 [0,2,0,0,0,0|2,0,0]=4 2481 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 2230a_100000739694_100000211605 [0,2,0,0,0,0|2,0,0]=4 2482 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 2230a_100000742528_100000747473 [0,2,0,0,0,0|2,0,0]=4 2483 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 269982a_100000742528_100000187820 [0,2,0,0,0,0|2,0,0]=4 2484 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 270004a_100000739694_100000210811 [0,2,0,0,0,0|2,0,0]=4 2485 B14R1.337 CN(CC(=O)N)Cc1ccccc1F 34a_100000742528_100000187820 [0,2,0,0,0,0|2,0,0]=4 2486 B14R1.337 CN(CC(=O)N)Cc1ccccc1I 2230a_100000739694_100011215278 [0,2,0,0,0,0|2,0,0]=4 2487 B14R1.337 CN(CC(=O)N)Cc1ccccc1I 270004a_100000739694_100000010305 [0,2,0,0,0,0|2,0,0]=4 2488 B14R1.337 CN(CC(=O)N)Cc1ccccc1O 2230a_100015189988_100000747473 [0,2,0,0,0,0|2,0,0]=4 2489 B14R1.337 CN(CC(=O)N)Cc1ccccc1O 269982a_100015189988_100000187820 [0,2,0,0,0,0|2,0,0]=4 2490 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200000210301 [0,2,0,0,0,0|2,0,0]=4 2491 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000746989_100000184730 [0,2,0,0,0,0|2,0,0]=4 2492 B14R1.337 CN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746989_100000187162 [0,2,0,0,0,0|2,0,0]=4 2493 B14R1.337 CN(CC(=O)O)Cc1ccccc1F 269956a_100000746989_100000187165 [0,2,0,0,0,0|2,0,0]=4 2494 B14R1.337 CN(CC(=O)O)Cc1ccccc1I 269956a_100000746989_100011216222 [0,2,0,0,0,0|2,0,0]=4 2495 B14R1.337 CN(CC(=O)[13CH3])Cc1ccccc1F 1458a_100015184060_200025704644 [0,2,0,0,0,0|2,0,0]=4 2496 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1Br 269982a_100000184654_100020667443 [0,2,0,0,0,0|2,0,0]=4 2497 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1Cl 269982a_100000184507_100020667443 [0,2,0,0,0,0|2,0,0]=4 2498 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1F 269982a_100000742528_100020667443 [0,2,0,0,0,0|2,0,0]=4 2499 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1F 34a_100000742528_100020667443 [0,2,0,0,0,0|2,0,0]=4 2500 B14R1.337 CN(CC(=O)[O-])Cc1ccccc1O 269982a_100015189988_100020667443 [0,2,0,0,0,0|2,0,0]=4 2501 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 2230a_100000184421_100000747473 [0,2,0,0,0,0|2,0,0]=4 2502 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 2230a_100000739694_100000211839 [0,2,0,0,0,0|2,0,0]=4 2503 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 269982a_100000184421_100000187820 [0,2,0,0,0,0|2,0,0]=4 2504 B14R1.337 Cc1ccccc1CN(C)CC(=O)N 270004a_100000739694_100000211143 [0,2,0,0,0,0|2,0,0]=4 2505 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_100000746989_100000211750 [0,2,0,0,0,0|2,0,0]=4 2506 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_200000743881_200000210301 [0,2,0,0,0,0|2,0,0]=4 2507 B14R1.337 Cc1ccccc1CN(C)CC(=O)[O-] 269982a_100000184421_100020667443 [0,2,0,0,0,0|2,0,0]=4 2508 B14R1.337 Cc1ccccc1CN([13CH3])CC(=O)O 269956a_200000743881_200025704644 [0,2,0,0,0,0|2,0,0]=4 2509 B14R1.337 [13CH3]N(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200025704644 [0,2,0,0,0,0|2,0,0]=4 2510 B14R1.433 CC(Cc1ccccn1)NS(=O)(=O)C 40a_100000238496_100000738038 [0,2,0,0,0,0|2,0,0]=4 2511 B14R1.433 CC(Cc1cccnc1)NS(=O)(=O)C 40a_100011207255_100000738038 [0,2,0,0,0,0|2,0,0]=4 2512 B14R1.1485 CC(=O)NS(=O)(=O)Cc1ccccc1 2740a_100000198533_100015343762 [0,2,0,0,0,0|2,0,0]=4 2513 B14R1.965 CCNC(C)Cc1ccccc1OC 270004a_100015525214_100000211486 [0,2,0,0,0,0|1,0,1]=4 2514 B14R1.965 CN(CC=O)Cc1ccccc1C#N 2230a_100000225633_200015260668 [0,2,0,0,0,0|2,0,0]=4 2515 B14R1.965 CN(CC=O)Cc1ccccc1C#N 269982a_100000225633_200015260668 [0,2,0,0,0,0|2,0,0]=4 2516 B14R1.965 CN(CC=O)Cc1ccccc1CO 2230a_100000044721_200015260668 [0,2,0,0,0,0|2,0,0]=4 2517 B14R1.965 CN(CC=O)Cc1ccccc1CO 269982a_100000044721_200015260668 [0,2,0,0,0,0|2,0,0]=4 2518 B14R1.965 COc1ccccc1CN(C)CC=O 2230a_100000184376_200015260668 [0,2,0,0,0,0|2,0,0]=4 2519 B14R1.965 COc1ccccc1CN(C)CC=O 269982a_100000184376_200015260668 [0,2,0,0,0,0|2,0,0]=4 2520 B14R1.3194 CCNC(C)(C)Cc1ccccc1Br 2230a_100161000475_100000210202 [0,2,0,0,0,0|1,0,1]=4 2521 B14R1.19171 CCNC(C)Cc1c(cccc1Cl)Cl 270004a_100015525214_100000692661 [0,2,0,0,0,0|1,0,1]=4 2522 B14R1.19171 CN(CC=O)Cc1c(cccc1Br)F 2230a_106744473292_200015260668 [0,2,0,0,0,0|2,0,0]=4 2523 B14R1.19171 CN(CC=O)Cc1c(cccc1Br)F 269982a_106744473292_200015260668 [0,2,0,0,0,0|2,0,0]=4 2524 B14R1.19171 CN(CC=O)Cc1c(cccc1Br)F 34a_106744473292_200009817547 [0,2,0,0,0,0|2,0,0]=4 2525 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)Cl 2230a_100000186903_200015260668 [0,2,0,0,0,0|2,0,0]=4 2526 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)Cl 269982a_100000186903_200015260668 [0,2,0,0,0,0|2,0,0]=4 2527 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)Cl 34a_100000186903_200009817547 [0,2,0,0,0,0|2,0,0]=4 2528 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)F 2230a_100000184537_200015260668 [0,2,0,0,0,0|2,0,0]=4 2529 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)F 269982a_100000184537_200015260668 [0,2,0,0,0,0|2,0,0]=4 2530 B14R1.19171 CN(CC=O)Cc1c(cccc1Cl)F 34a_100000184537_200009817547 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.462 C=CC=CC(=O)CC1CC(=O)C1 1458a_100016291481_100009874392 [0,0,1,1,0,0|2,0,0]=4 2532 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [1,0,0,1,0,0|0,0,1]=3 2533 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [1,0,0,1,0,0|0,0,1]=3 2534 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [1,0,0,1,0,0|0,0,1]=3 2535 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [1,0,0,1,0,0|0,0,1]=3 2536 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [1,0,0,1,0,0|1,0,1]=4 2537 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [1,0,0,1,0,0|1,0,1]=4 2538 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [1,0,0,1,0,0|1,0,1]=4 2539 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [1,0,0,1,0,0|0,0,1]=3 2540 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [1,0,0,1,0,0|0,0,1]=3 2541 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [1,0,0,1,0,0|1,0,1]=4 2542 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [1,0,0,1,0,0|1,0,1]=4 2543 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200015260668 [0,0,0,1,0,1|2,0,0]=4 2544 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200015260668 [0,0,0,1,0,1|2,0,0]=4 2545 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_200009817547 [0,0,0,1,0,1|2,0,0]=4 2546 B14R2.41 CCNC1CC(C1)c2ccccc2 270004a_100015525214_100000741317 [0,0,0,1,0,1|1,0,1]=4 2547 B14R2.41 CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210202 [0,0,0,1,0,1|1,0,1]=4 2548 B14R2.101 C1=CCC(C1)NCc2ccccc2 207a_100015188752_100015611070 [0,0,0,1,0,1|2,0,0]=4 2549 B14R2.101 C1=CCC(C1)NCc2ccccc2 2230a_100015188752_100015291786 [0,0,0,1,0,1|2,0,0]=4 2550 B14R2.101 C1=CCC(C1)NCc2ccccc2 270004a_100015188752_100015611070 [0,0,0,1,0,1|2,0,0]=4 2551 B14R2.112 CCNC1CCc2ccccc2C1 2230a_100000748446_100000210202 [0,0,0,1,0,1|1,0,1]=4 2552 B14R2.112 CCNC1CCc2ccccc2C1 270004a_100015525214_100000212018 [0,0,0,1,0,1|1,0,1]=4 2553 B14R2.112 CCNC1CCc2ccccc2C1 34a_100000748446_100000210202 [0,0,0,1,0,1|1,0,1]=4 2554 B14R2.112 CCNC1COc2ccccc2C1 2230a_100000739546_100000210202 [0,0,0,1,0,1|1,0,1]=4 2555 B14R2.112 CCNC1COc2ccccc2C1 270004a_100015525214_100000048293 [0,0,0,1,0,1|1,0,1]=4 2556 B14R2.112 FCNC1CCc2ccccc2C1 34a_100000748446_100015361967 [0,0,0,1,0,1|1,0,1]=4 2557 B14R2.112 O=CCN1CCc2ccccc2C1 2230a_100000188457_200015260668 [0,0,0,1,0,1|2,0,0]=4 2558 B14R2.112 O=CCN1CCc2ccccc2C1 269982a_100000188457_200015260668 [0,0,0,1,0,1|2,0,0]=4 2559 B14R2.112 O=CCN1CCc2ccccc2C1 34a_100000188457_200009817547 [0,0,0,1,0,1|2,0,0]=4 2560 B14R2.436 C=C1CC(C1)NCc2ccccc2 207a_100132301982_100015611070 [0,0,0,1,0,1|2,0,0]=4 2561 B14R2.436 C=C1CC(C1)NCc2ccccc2 2230a_100132301982_100015291786 [0,0,0,1,0,1|2,0,0]=4 2562 B14R2.436 C=C1CC(C1)NCc2ccccc2 270004a_100132301982_100015611070 [0,0,0,1,0,1|2,0,0]=4 2563 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,0,0,1,0,1|1,0,0]=3 2564 B14R2.436 O=C1CC(C1)COc2cccnc2 7a_100000210849_100009874392 [0,0,0,1,0,1|2,0,0]=4 2565 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100000719477_100009874392 [0,0,0,1,0,1|1,0,0]=3 2566 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100009874392_100000041952 [0,0,0,1,0,1|1,0,0]=3 2567 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100009874392_100011216584 [0,0,0,1,0,1|2,0,0]=4 2568 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100011216584_100009874392 [0,0,0,1,0,1|2,0,0]=4 2569 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100000210063_100009874392 [0,0,0,1,0,1|2,0,0]=4 2570 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100009874392_100000210063 [0,0,0,1,0,1|2,0,0]=4 2571 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100000728582_100009874392 [0,0,0,1,0,1|2,0,0]=4 2572 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100009874392_100000728582 [0,0,0,1,0,1|2,0,0]=4 2573 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [0,0,0,1,0,1|1,0,0]=3 2574 B14R2.436 O=C1CC(C1)SCc2ccccn2 62a_100009894365_100000721315 [0,0,0,1,0,1|2,0,0]=4 2575 B14R2.436 O=C1CC(C1)SCc2cccnc2 62a_100009894365_100000741622 [0,0,0,1,0,1|2,0,0]=4 2576 B14R2.436 O=C1CC(C1)SCc2ccncc2 62a_100009894365_100015193705 [0,0,0,1,0,1|2,0,0]=4 2577 B14R2.43 CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210202 [0,1,0,1,0,0|1,0,1]=4 2578 B14R2.43 CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210202 [0,1,0,1,0,0|1,0,1]=4 2579 B14R2.43 CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210202 [0,1,0,1,0,0|1,0,1]=4 2580 B14R2.43 CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210202 [0,1,0,1,0,0|1,0,1]=4 2581 B14R2.43 FCNC1CC1c2ccc(cc2)Br 34a_100000755575_100015361967 [0,1,0,1,0,0|1,0,1]=4 2582 B14R2.43 FCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100015361967 [0,1,0,1,0,0|1,0,1]=4 2583 B14R2.106 CCNC1Cc2ccc(cc2C1)Br 2230a_100015193702_100000210202 [0,1,0,1,0,0|1,0,1]=4 2584 B14R2.106 CCNC1Cc2ccc(cc2C1)Br 270004a_100015525214_100010185598 [0,1,0,1,0,0|1,0,1]=4 2585 B14R2.106 CCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100000210202 [0,1,0,1,0,0|1,0,1]=4 2586 B14R2.106 CCNC1Cc2ccc(cc2C1)I 2230a_100015191792_100000210202 [0,1,0,1,0,0|1,0,1]=4 2587 B14R2.106 FCNC1Cc2ccc(cc2C1)Br 34a_100015193702_100015361967 [0,1,0,1,0,0|1,0,1]=4 2588 B14R2.106 O=CCN1Cc2ccc(cc2C1)Br 2230a_100000702344_200015260668 [0,1,0,1,0,0|2,0,0]=4 2589 B14R2.106 O=CCN1Cc2ccc(cc2C1)Br 269982a_100000702344_200015260668 [0,1,0,1,0,0|2,0,0]=4 2590 B14R2.106 O=CCN1Cc2ccc(cc2C1)Br 34a_100000702344_200009817547 [0,1,0,1,0,0|2,0,0]=4 2591 B14R2.106 O=CCN1Cc2ccc(cc2C1)Cl 2230a_100015205306_200015260668 [0,1,0,1,0,0|2,0,0]=4 2592 B14R2.106 O=CCN1Cc2ccc(cc2C1)Cl 269982a_100015205306_200015260668 [0,1,0,1,0,0|2,0,0]=4 2593 B14R2.106 O=CCN1Cc2ccc(cc2C1)Cl 34a_100015205306_200009817547 [0,1,0,1,0,0|2,0,0]=4 2594 B14R2.106 O=CCN1Cc2ccc(cc2C1)F 2230a_100000766377_200015260668 [0,1,0,1,0,0|2,0,0]=4 2595 B14R2.106 O=CCN1Cc2ccc(cc2C1)F 269982a_100000766377_200015260668 [0,1,0,1,0,0|2,0,0]=4 2596 B14R2.106 O=CCN1Cc2ccc(cc2C1)F 34a_100000766377_200009817547 [0,1,0,1,0,0|2,0,0]=4 2597 B14R2.106 O=CCN1Cc2ccc(cc2C1)O 2230a_100015195982_200015260668 [0,1,0,1,0,0|2,0,0]=4 2598 B14R2.106 O=CCN1Cc2ccc(cc2C1)O 269982a_100015195982_200015260668 [0,1,0,1,0,0|2,0,0]=4 2599 B14R2.106 O=CCN1Cc2ccc(cc2C1)O 34a_100015195982_200009817547 [0,1,0,1,0,0|2,0,0]=4 2600 B14R2.947 Cc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000186775 [0,1,0,1,0,0|2,0,0]=4 2601 B14R2.947 Nc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000185761 [0,1,0,1,0,0|2,0,0]=4 2602 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Br 62a_100009894365_100000752885 [0,1,0,1,0,0|2,0,0]=4 2603 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Cl 62a_100009894365_100000755918 [0,1,0,1,0,0|2,0,0]=4 2604 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)F 62a_100009894365_100000211213 [0,1,0,1,0,0|2,0,0]=4 2605 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)O 62a_100009894365_100000185759 [0,1,0,1,0,0|2,0,0]=4 2606 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100000741707 [0,1,0,1,0,0|1,0,1]=4 2607 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,1,0,0|1,0,1]=4 2608 B14R2.111 CCNC1Cc2cccc(c2C1)Br 270004a_100015525214_100010205903 [0,1,0,1,0,0|1,0,1]=4 2609 B14R2.111 CCNC1Cc2cccc(c2C1)C 270004a_100015525214_100010637320 [0,1,0,1,0,0|1,0,1]=4 2610 B14R2.111 Cc1cccc2c1CN(C2)CC=O 2230a_100020635169_200015260668 [0,1,0,1,0,0|2,0,0]=4 2611 B14R2.111 Cc1cccc2c1CN(C2)CC=O 269982a_100020635169_200015260668 [0,1,0,1,0,0|2,0,0]=4 2612 B14R2.111 Cc1cccc2c1CN(C2)CC=O 34a_100020635169_200009817547 [0,1,0,1,0,0|2,0,0]=4 2613 B14R2.111 O=CCN1Cc2cccc(c2C1)Br 2230a_100000703859_200015260668 [0,1,0,1,0,0|2,0,0]=4 2614 B14R2.111 O=CCN1Cc2cccc(c2C1)Br 269982a_100000703859_200015260668 [0,1,0,1,0,0|2,0,0]=4 2615 B14R2.111 O=CCN1Cc2cccc(c2C1)Br 34a_100000703859_200009817547 [0,1,0,1,0,0|2,0,0]=4 2616 B14R2.111 O=CCN1Cc2cccc(c2C1)Cl 2230a_100000731892_200015260668 [0,1,0,1,0,0|2,0,0]=4 2617 B14R2.111 O=CCN1Cc2cccc(c2C1)Cl 269982a_100000731892_200015260668 [0,1,0,1,0,0|2,0,0]=4 2618 B14R2.111 O=CCN1Cc2cccc(c2C1)Cl 34a_100000731892_200009817547 [0,1,0,1,0,0|2,0,0]=4 2619 B14R2.111 O=CCN1Cc2cccc(c2C1)F 269982a_100000051403_200015260668 [0,1,0,1,0,0|2,0,0]=4 2620 B14R2.111 O=CCN1Cc2cccc(c2C1)F 34a_100000051403_200009817547 [0,1,0,1,0,0|2,0,0]=4 2621 B14R2.111 O=CCN1Cc2cccc(c2C1)O 269982a_100015191671_200015260668 [0,1,0,1,0,0|2,0,0]=4 2622 B14R2.111 O=CCN1Cc2cccc(c2C1)O 34a_100015191671_200009817547 [0,1,0,1,0,0|2,0,0]=4 2623 B14R2.9057 Cc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100011215228 [0,1,0,1,0,0|2,0,0]=4 2624 B14R2.9057 Nc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100000210019 [0,1,0,1,0,0|2,0,0]=4 2625 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Br 62a_100009894365_100000691529 [0,1,0,1,0,0|2,0,0]=4 2626 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Cl 62a_100009894365_100000699651 [0,1,0,1,0,0|2,0,0]=4 2627 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)F 62a_100009894365_100000685547 [0,1,0,1,0,0|2,0,0]=4 2628 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)O 62a_100009894365_100000211634 [0,1,0,1,0,0|2,0,0]=4 2629 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)[S] 62a_100009894365_114929384022 [0,1,0,1,0,0|2,0,0]=4 2630 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,1,0,0|0,0,2]=4 2631 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,1,0,0|1,0,1]=4 2632 B14R2.19 O=C1CN(CN1)Cc2ccccc2 2230a_200000708111_100015291786 [0,1,0,1,0,0|1,0,0]=3 2633 B14R2.19 O=C1CN(CN1)Cc2ccccn2 2230a_200000708111_100000721315 [0,1,0,1,0,0|2,0,0]=4 2634 B14R2.19 O=C1CN(CN1)Cc2cccnc2 2230a_200000708111_100000741622 [0,1,0,1,0,0|2,0,0]=4 2635 B14R2.19 O=C1CN(CN1)Cc2ccncc2 2230a_200000708111_100015193705 [0,1,0,1,0,0|2,0,0]=4 2636 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,1,0,1,0,0|2,0,0]=4 2637 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,1,0,1,0,0|2,0,0]=4 2638 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,1,0,1,0,0|2,0,0]=4 2639 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000038162 [0,1,0,1,0,0|1,0,1]=4 2640 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000184674 [0,1,0,1,0,0|1,0,1]=4 2641 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210623 [0,1,0,1,0,0|1,0,0]=3 2642 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015514636 [0,1,0,1,0,0|1,0,0]=3 2643 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [0,1,0,1,0,0|1,0,1]=4 2644 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [0,1,0,1,0,0|1,0,1]=4 2645 B14R2.66 COCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766300 [0,1,0,1,0,0|0,0,2]=4 2646 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218213 [0,1,0,1,0,0|0,1,1]=4 2647 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218213 [0,1,0,1,0,0|0,1,1]=4 2648 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011217306 [0,1,0,1,0,0|1,0,1]=4 2649 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011217306 [0,1,0,1,0,0|1,0,1]=4 2650 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215382 [0,1,0,1,0,0|1,0,1]=4 2651 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200015260668 [0,1,0,1,0,0|0,0,0]=2 2652 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200009817547 [0,1,0,1,0,0|0,0,0]=2 2653 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211926 [0,1,0,1,0,0|0,0,2]=4 2654 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211926 [0,1,0,1,0,0|0,0,2]=4 2655 B14R2.67 C#CCNC1Cc2ccccc2C1 2230a_100000753258_100000038162 [0,1,0,1,0,0|1,0,1]=4 2656 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000212058_100000753484 [0,1,0,1,0,0|1,0,1]=4 2657 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000753258_100000184674 [0,1,0,1,0,0|1,0,1]=4 2658 B14R2.67 C=CCNC1Cc2ccccc2C1 2230a_100000753258_100000210623 [0,1,0,1,0,0|1,0,0]=3 2659 B14R2.67 C=CCNC1Cc2ccccc2C1 34a_100000753258_100015514636 [0,1,0,1,0,0|1,0,0]=3 2660 B14R2.67 C=CCOC1Cc2ccccc2C1 34a_100011215286_100015514636 [0,1,0,1,0,0|2,0,0]=4 2661 B14R2.67 C=CCOC1Cc2ccccc2C1 34a_200000210373_100000753484 [0,1,0,1,0,0|2,0,0]=4 2662 B14R2.67 C=CCSC1Cc2ccccc2C1 62a_100000210623_100000753484 [0,1,0,1,0,0|2,0,0]=4 2663 B14R2.67 CCCNC1Cc2ccccc2C1 2230a_100000753258_100000210303 [0,1,0,1,0,0|1,0,1]=4 2664 B14R2.67 CCCNC1Cc2ccccc2C1 34a_100000753258_100000210303 [0,1,0,1,0,0|1,0,1]=4 2665 B14R2.67 CCNCC1Cc2ccccc2C1 2230a_100000757167_100000210202 [0,1,0,1,0,0|1,0,1]=4 2666 B14R2.67 CCNCC1Cc2ccccc2C1 34a_100000757167_100000210202 [0,1,0,1,0,0|1,0,1]=4 2667 B14R2.67 COCNC1Cc2ccccc2C1 2230a_100000753258_100000766300 [0,1,0,1,0,0|0,0,2]=4 2668 B14R2.67 CSCNC1Cc2ccccc2C1 2230a_100000753258_100011218213 [0,1,0,1,0,0|0,1,1]=4 2669 B14R2.67 CSCNC1Cc2ccccc2C1 34a_100000753258_100011218213 [0,1,0,1,0,0|0,1,1]=4 2670 B14R2.67 FCCNC1Cc2ccccc2C1 2230a_100000753258_100011217306 [0,1,0,1,0,0|1,0,1]=4 2671 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000724931_100000753484 [0,1,0,1,0,0|1,0,1]=4 2672 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000753258_100011217306 [0,1,0,1,0,0|1,0,1]=4 2673 B14R2.67 FCNCC1Cc2ccccc2C1 34a_100000757167_100015361967 [0,1,0,1,0,0|1,0,1]=4 2674 B14R2.67 N#CCNC1Cc2ccccc2C1 2230a_100000753258_100011215382 [0,1,0,1,0,0|1,0,1]=4 2675 B14R2.67 O=CCNC1Cc2ccccc2C1 2230a_100000753258_200015260668 [0,1,0,1,0,0|0,0,0]=2 2676 B14R2.67 O=CCNC1Cc2ccccc2C1 34a_100000753258_200009817547 [0,1,0,1,0,0|0,0,0]=2 2677 B14R2.67 O=CCOC1Cc2ccccc2C1 34a_100011215286_200009817547 [0,1,0,1,0,0|1,0,0]=3 2678 B14R2.67 O=CCSC1Cc2ccccc2C1 62a_200015260668_100000753484 [0,1,0,1,0,0|1,0,0]=3 2679 B14R2.67 OCCNC1Cc2ccccc2C1 2230a_100000753258_100000211926 [0,1,0,1,0,0|0,0,2]=4 2680 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100000753258_100000211926 [0,1,0,1,0,0|0,0,2]=4 2681 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100016990907_100000753484 [0,1,0,1,0,0|0,0,2]=4 2682 B14R2.277 Cc1[nH][nH]c(=O)c1c2ccccc2 271570a_100011218836_100000686169 [0,1,0,1,0,0|0,0,2]=4 2683 B14R2.9589 CC(Cc1ccccc1)N2CCC2 269982a_100000754969_200011218536 [0,1,0,1,0,0|1,0,1]=4 2684 B14R2.9593 CC(Cc1ccccc1)NC2CC2 34a_100000212008_200011218536 [0,1,0,1,0,0|1,0,1]=4 2685 B14R2.35 O=CCN1CCC1c2ccccc2 2230a_100000739605_200015260668 [0,1,0,1,0,0|2,0,0]=4 2686 B14R2.35 O=CCN1CCC1c2ccccc2 269982a_100000739605_200015260668 [0,1,0,1,0,0|2,0,0]=4 2687 B14R2.44 CCNC1Cc2ccccc2C1O 2230a_100015525214_100000211646 [0,1,0,1,0,0|1,0,1]=4 2688 B14R2.422 CN(c1ccccc1)C2CC(=O)C2 269982a_100000210012_100009894365 [0,1,0,1,0,0|2,0,0]=4 2689 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,1,0,0|0,0,2]=4 2690 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,1,0,0|0,0,2]=4 2691 B14R2.972 C=CC(=O)C1Cc2ccccc2C1 1458a_100000185746_100000753484 [0,1,0,1,0,0|2,0,0]=4 2692 B14R2.972 CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210202 [0,1,0,1,0,0|1,0,1]=4 2693 B14R2.972 CCN(C)C1Cc2ccccc2C1 269982a_100000225621_100000753484 [0,1,0,1,0,0|1,0,1]=4 2694 B14R2.972 CCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000204670 [0,1,0,1,0,0|1,0,1]=4 2695 B14R2.972 CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210202 [0,1,0,1,0,0|1,0,1]=4 2696 B14R2.972 CN(CF)C1Cc2ccccc2C1 269982a_100016990990_100015361967 [0,1,0,1,0,0|1,0,1]=4 2697 B14R2.972 CN(CF)C1Cc2ccccc2C1 34a_100016990990_100015361967 [0,1,0,1,0,0|1,0,1]=4 2698 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,1,0,1,0,0|0,0,0]=2 2699 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,1,0,1,0,0|0,0,0]=2 2700 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,1,0,1,0,0|0,0,0]=2 2701 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,1,0,1,0,0|0,0,0]=2 2702 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210206 [0,1,0,1,0,0|1,0,1]=4 2703 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210206 [0,1,0,1,0,0|1,0,1]=4 2704 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210206 [0,1,0,1,0,0|1,0,1]=4 2705 B14R2.768 CC(=O)CC1Cc2ccccc2C1 1458a_100011217126_200000210301 [0,1,0,1,0,0|1,0,0]=3 2706 B14R2.768 CC(=O)CN1Cc2ccccc2C1 1458a_100015185064_200000210301 [0,1,0,1,0,0|2,0,0]=4 2707 B14R2.768 CC(=O)NC1Cc2ccccc2C1 11a_100000753258_100015343762 [0,1,0,1,0,0|0,0,0]=2 2708 B14R2.768 CC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100015343762 [0,1,0,1,0,0|0,0,0]=2 2709 B14R2.768 CC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100015343762 [0,1,0,1,0,0|0,0,0]=2 2710 B14R2.768 CC(=O)NC1Cc2ccccc2C1 527a_100000753258_100103153847 [0,1,0,1,0,0|0,0,0]=2 2711 B14R2.768 CC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000210206 [0,1,0,1,0,0|1,0,1]=4 2712 B14R2.768 CC(C)NC1Cc2ccccc2C1 34a_100000753258_100000210206 [0,1,0,1,0,0|1,0,1]=4 2713 B14R2.768 CC(C)NC1Cc2ccccc2C1 34a_100138425928_100000753484 [0,1,0,1,0,0|1,0,1]=4 2714 B14R2.768 NC(=O)CN1Cc2ccccc2C1 2230a_100000752595_100000747473 [0,1,0,1,0,0|2,0,0]=4 2715 B14R2.768 NC(=O)CN1Cc2ccccc2C1 269982a_100000752595_100000187820 [0,1,0,1,0,0|2,0,0]=4 2716 B14R2.768 NC(=O)CN1Cc2ccccc2C1 34a_100000752595_100000187820 [0,1,0,1,0,0|2,0,0]=4 2717 B14R2.768 O=C([O-])CN1Cc2ccccc2C1 269982a_100000752595_100020667443 [0,1,0,1,0,0|2,0,0]=4 2718 B14R2.768 O=C([O-])CN1Cc2ccccc2C1 34a_100000752595_100020667443 [0,1,0,1,0,0|2,0,0]=4 2719 B14R2.768 [13CH3]C(=O)CC1Cc2ccccc2C1 1458a_100011217126_200025704644 [0,1,0,1,0,0|1,0,0]=3 2720 B14R2.768 [13CH3]C(=O)CN1Cc2ccccc2C1 1458a_100015185064_200025704644 [0,1,0,1,0,0|2,0,0]=4 2721 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,1,0,1,0,0|0,0,0]=2 2722 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,1,0,1,0,0|0,0,0]=2 2723 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,1,0,1,0,0|0,0,0]=2 2724 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,1,0,1,0,0|0,0,0]=2 2725 B14R2.790 CC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210206 [0,1,0,1,0,0|1,0,1]=4 2726 B14R2.790 CC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210206 [0,1,0,1,0,0|1,0,1]=4 2727 B14R2.479 CCNC1CC1c2ccccc2F 2230a_100000753450_100000210202 [0,1,0,1,0,0|1,0,1]=4 2728 B14R2.479 CCNC1CC1c2ccccc2F 34a_100000753450_100000210202 [0,1,0,1,0,0|1,0,1]=4 2729 B14R2.479 FCNC1CC1c2ccccc2F 34a_100000753450_100015361967 [0,1,0,1,0,0|1,0,1]=4 2730 B14R2.663 Cc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210755 [0,1,0,1,0,0|2,0,0]=4 2731 B14R2.663 Nc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210017 [0,1,0,1,0,0|2,0,0]=4 2732 B14R2.663 O=C1CC(C1)Sc2ccccc2Br 62a_100009894365_100000695589 [0,1,0,1,0,0|2,0,0]=4 2733 B14R2.663 O=C1CC(C1)Sc2ccccc2Cl 62a_100009894365_100000764095 [0,1,0,1,0,0|2,0,0]=4 2734 B14R2.663 O=C1CC(C1)Sc2ccccc2F 62a_100009894365_100011215700 [0,1,0,1,0,0|2,0,0]=4 2735 B14R2.663 O=C1CC(C1)Sc2ccccc2O 62a_100009894365_100000739446 [0,1,0,1,0,0|2,0,0]=4 2736 B14R2.827 CC1(Cc2ccccc2C1)NCF 34a_100000706725_100015361967 [0,1,0,1,0,0|1,0,1]=4 2737 B14R2.827 CCNC1(Cc2ccccc2C1)C 2230a_100000706725_100000210202 [0,1,0,1,0,0|1,0,1]=4 2738 B14R2.827 CCNC1(Cc2ccccc2C1)C 34a_100000706725_100000210202 [0,1,0,1,0,0|1,0,1]=4 2739 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,1,0|1,0,1]=4 2740 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,1,0|1,0,1]=4 2741 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,1,0|1,0,1]=4 2742 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,1,0|1,0,1]=4 2743 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,1,0|1,0,1]=4 2744 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,1,0|0,0,1]=3 2745 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,1,0|0,0,1]=3 2746 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,1,0|0,0,1]=3 2747 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,1,0|0,0,1]=3 2748 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,1,0|1,0,1]=4 2749 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,1,0|1,0,1]=4 2750 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,1,0|1,0,1]=4 2751 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,1,0|1,0,1]=4 2752 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,1,0|1,0,1]=4 2753 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,1,0|1,0,1]=4 2754 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,1,0|0,0,1]=3 2755 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,1,0|1,0,1]=4 2756 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,1,0|1,0,1]=4 2757 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,1,0|1,0,1]=4 2758 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,1,0|1,0,1]=4 2759 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,1,0|1,0,1]=4 2760 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,1,0|0,0,1]=3 2761 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,1,0|1,0,1]=4 2762 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,1,0|1,0,1]=4 2763 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,0,0,0,1,0|1,0,1]=4 2764 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [1,0,0,0,1,0|1,0,1]=4 2765 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [1,0,0,0,1,0|1,0,1]=4 2766 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,0,0,0,1,0|1,0,1]=4 2767 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,0,0,0,1,0|1,0,1]=4 2768 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [1,0,0,0,1,0|1,0,1]=4 2769 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [1,0,0,0,1,0|1,0,1]=4 2770 B14R1.520 C/C=C/C(C)OCCc1ccccc1 34a_200102604097_100000765856 [0,0,0,0,0,2|2,0,0]=4 2771 B14R1.520 C=CCC(C)COCc1ccccc1 34a_100009832082_100015291786 [0,0,0,0,0,2|2,0,0]=4 2772 B14R1.520 C=CCC(C)COCc1ccccc1 7a_100009832082_100000211182 [0,0,0,0,0,2|2,0,0]=4 2773 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 34a_100000731007_100000765856 [0,0,0,0,0,2|2,0,0]=4 2774 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 7a_100000731007_100000765856 [0,0,0,0,0,2|2,0,0]=4 2775 B14R1.520 CCNC(C)CCCc1ccccc1 2230a_100015525214_200010759516 [0,0,0,0,0,2|1,0,1]=4 2776 B14R1.520 CCNC(C)COCc1ccccc1 270004a_100015525214_100011215004 [0,0,0,0,0,2|1,0,1]=4 2777 B14R1.520 CCNC(C)CSCc1ccccc1 270004a_100015525214_100000172147 [0,0,0,0,0,2|1,0,1]=4 2778 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,0,0,0,0,2|2,0,0]=4 2779 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,0,0,0,0,2|2,0,0]=4 2780 B14R1.520 CN(CC=O)CCOc1ccccc1 2230a_100000184383_200015260668 [0,0,0,0,0,2|2,0,0]=4 2781 B14R1.520 CN(CC=O)CCOc1ccccc1 269982a_100000184383_200015260668 [0,0,0,0,0,2|2,0,0]=4