0 B14R1.420 C=C(C)CCOC(C)c1ccccc1 34a_100000764851_100000211855 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000730704 [0,0,0,0,0,0|1,0,3]=4 2 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000730704 [0,0,0,0,0,0|1,0,3]=4 3 B14R1.420 C=C(C)CNNC(=O)c1ccccc1 22a_100000729518_100000185807 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.420 C=C(C)CSCC(=O)c1ccccc1 62a_100000211460_100000211660 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.420 C=C(C)CSCC(=O)c1ccccc1 62a_100000748629_100000211460 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.420 CC(=CCCC(=O)c1ccccc1)C 1458a_100000185807_100011217483 [0,0,0,0,0,0|1,0,2]=3 9 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 11a_100000718196_100000185807 [0,0,0,0,0,0|1,0,2]=3 10 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 1626a_100000718196_100000185807 [0,0,0,0,0,0|1,0,2]=3 11 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 527a_100000718196_100000185807 [0,0,0,0,0,0|1,0,2]=3 12 B14R1.420 CC(=CCOC(C)c1ccccc1)C 34a_100000753907_100000211855 [0,0,0,0,0,0|1,0,3]=4 13 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 34a_100000761318_100000761012 [0,0,0,0,0,0|1,0,3]=4 14 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 7a_100000761318_100000761012 [0,0,0,0,0,0|1,0,3]=4 15 B14R1.420 CC(=NNCC(C)O)c1ccccc1 4a_200000730056_100000185851 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,0,0,0,0,0|2,0,1]=3 18 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,0,0,0,0,0|2,0,1]=3 19 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,0,0,0,0,0|1,0,1]=2 21 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,0,0,0,0,0|2,0,1]=3 27 B14R1.420 CC(Br)COCC(=O)c1ccccn1 34a_100012180447_100000027445 [0,0,0,0,0,0|4,0,0]=4 28 B14R1.420 CC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210432 [0,0,0,0,0,0|2,0,1]=3 29 B14R1.420 CC(C)C=NNC(=O)c1ccccn1 4a_100000184044_100000210432 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.420 CC(C)C=NNC(=O)c1cccnc1 4a_100000189771_100000210432 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.420 CC(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000210432 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,0,0,0,0,0|1,0,0]=1 33 B14R1.420 CC(C)CCCN(C)c1ccccc1 2230a_100000210012_100011214892 [0,0,0,0,0,0|3,0,0]=3 34 B14R1.420 CC(C)CCCN(C)c1ccccc1 269982a_100000210012_100011214892 [0,0,0,0,0,0|3,0,0]=3 35 B14R1.420 CC(C)CCCN(C)c1ccccc1 34a_100000210012_100011214892 [0,0,0,0,0,0|3,0,0]=3 36 B14R1.420 CC(C)CCNC(=O)c1ccccc1 11a_100000210545_100000185807 [0,0,0,0,0,0|1,0,0]=1 37 B14R1.420 CC(C)CCNC(=O)c1ccccc1 1626a_100000210545_100000185807 [0,0,0,0,0,0|1,0,0]=1 38 B14R1.420 CC(C)CCNC(=O)c1ccccc1 240690a_100000210545_100000185807 [0,0,0,0,0,0|1,0,0]=1 39 B14R1.420 CC(C)CCNC(=O)c1ccccc1 527a_100000210545_100000185807 [0,0,0,0,0,0|1,0,0]=1 40 B14R1.420 CC(C)CCNC(C)c1ccccc1 269862a_100000210545_100000185851 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.420 CC(C)CCNC(C)c1ccccn1 2230a_100000181244_100000210312 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.420 CC(C)CCNC(C)c1ccccn1 269862a_100000181244_100000185833 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.420 CC(C)CCNC(C)c1ccccn1 269862a_100000210545_100000210467 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.420 CC(C)CCNC(C)c1cccnc1 2230a_100000195435_100000210312 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.420 CC(C)CCNC(C)c1cccnc1 269862a_100000195435_100000185833 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.420 CC(C)CCNC(C)c1cccnc1 269862a_100000210545_100000210468 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.420 CC(C)CCNC(C)c1ccncc1 2230a_100000181269_100000210312 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.420 CC(C)CCNC(C)c1ccncc1 269862a_100000181269_100000185833 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.420 CC(C)CCNC(C)c1ccncc1 269862a_100000210545_100000185792 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210312 [0,0,0,0,0,0|2,0,1]=3 51 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 269862a_100000751104_100000185833 [0,0,0,0,0,0|2,0,1]=3 52 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,0,0,0,0,0|1,0,1]=2 53 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,0,0,0,0,0|1,0,1]=2 54 B14R1.420 CC(C)CCOC(C)c1cnccn1 7a_100000210254_200000703233 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,0,0,0,0,0|1,0,1]=2 56 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,0,0,0,0,0|1,0,1]=2 57 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000210312_100000230085 [0,0,0,0,0,0|1,1,1]=3 58 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000230085_100000210312 [0,0,0,0,0,0|1,1,1]=3 59 B14R1.420 CC(C)CNCC(=O)c1ccccn1 34a_100000210953_100000027445 [0,0,0,0,0,0|3,0,0]=3 60 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000210953_100000756946 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000701038_100000210760 [0,0,0,0,0,0|3,0,1]=4 62 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000210953_100000212034 [0,0,0,0,0,0|3,0,1]=4 63 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000701038_100000210432 [0,0,0,0,0,0|3,0,1]=4 64 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000210953_100000756946 [0,0,0,0,0,0|3,0,1]=4 65 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000701038_100000210624 [0,0,0,0,0,0|3,0,1]=4 66 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210709_100000210760 [0,0,0,0,0,0|2,0,2]=4 67 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210953_100000185958 [0,0,0,0,0,0|2,0,2]=4 68 B14R1.420 CC(C)CNCC(O)c1ccccc1 270004a_100000210709_100000210432 [0,0,0,0,0,0|2,0,2]=4 69 B14R1.420 CC(C)CNCC(O)c1ccccc1 34a_100000210953_100000185958 [0,0,0,0,0,0|2,0,2]=4 70 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 2230a_100000210953_100011933945 [0,0,0,0,0,0|2,0,2]=4 71 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 34a_100000210953_100011933945 [0,0,0,0,0,0|2,0,2]=4 72 B14R1.420 CC(C)CNNC(=O)c1ccccc1 22a_100000696102_100000185807 [0,0,0,0,0,0|2,0,0]=2 73 B14R1.420 CC(C)COCC(=O)c1ccccn1 34a_100000210257_100000027445 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100000210257_100000756946 [0,0,0,0,0,0|3,0,1]=4 75 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100011215166_100000210624 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.420 CC(C)COCC(C)c1ccccc1 7a_100011215166_100000210760 [0,0,0,0,0,0|3,0,1]=4 77 B14R1.420 CC(C)COCC(O)c1ccccc1 34a_100000210257_100000185958 [0,0,0,0,0,0|2,0,2]=4 78 B14R1.420 CC(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000210624 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.420 CC(C)COC[C@@H](O)c1ccccc1 34a_100000210257_100011933945 [0,0,0,0,0,0|2,0,2]=4 80 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [0,0,0,0,0,0|2,0,0]=2 81 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [0,0,0,0,0,0|2,0,0]=2 82 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000210760 [0,0,0,0,0,0|3,0,0]=3 83 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000210624_100000027445 [0,0,0,0,0,0|3,0,0]=3 84 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000210624_100000757877 [0,0,0,0,0,0|3,0,0]=3 85 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000210760 [0,0,0,0,0,0|3,0,0]=3 86 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000210760 [0,0,0,0,0,0|3,0,0]=3 87 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000210624_100000027454 [0,0,0,0,0,0|3,0,0]=3 88 B14R1.420 CC(C)CSCC(=O)c1ncccn1 62a_100000210624_100020636365 [0,0,0,0,0,0|4,0,0]=4 89 B14R1.420 CC(C)CSCC(=O)c1ncccn1 62a_100020636365_100000210760 [0,0,0,0,0,0|4,0,0]=4 90 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000210624_100000756946 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000756946_100000210760 [0,0,0,0,0,0|3,0,1]=4 92 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000185958_100000210760 [0,0,0,0,0,0|2,0,2]=4 93 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000210624_100000185958 [0,0,0,0,0,0|2,0,2]=4 94 B14R1.420 CC(C)CSCS(=O)c1ccccc1 62a_100000210624_100000031784 [0,0,0,0,0,0|3,0,0]=3 95 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100000210624_100011933945 [0,0,0,0,0,0|2,0,2]=4 96 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000210760 [0,0,0,0,0,0|2,0,2]=4 97 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [0,0,0,0,0,0|2,0,0]=2 98 B14R1.420 CC(C)NCCC(O)c1ccccc1 2230a_100000763605_100000210206 [0,0,0,0,0,0|2,0,2]=4 99 B14R1.420 CC(C)NCCS(=O)c1ccccc1 2230a_100138425928_100000740319 [0,0,0,0,0,0|3,0,0]=3 100 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 2230a_100138425928_100000729684 [0,0,0,0,0,0|2,0,2]=4 101 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 34a_100138425928_100000729684 [0,0,0,0,0,0|2,0,2]=4 102 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [0,0,0,0,0,0|2,0,0]=2 103 B14R1.420 CC(C)OCCN(C)c1ccccc1 2230a_100000210012_100000211751 [0,0,0,0,0,0|4,0,0]=4 104 B14R1.420 CC(C)OCCN(C)c1ccccc1 269982a_100000210012_100000211751 [0,0,0,0,0,0|4,0,0]=4 105 B14R1.420 CC(C)OCCN(C)c1ccccc1 34a_100000210012_100000211751 [0,0,0,0,0,0|4,0,0]=4 106 B14R1.420 CC(C)OCC[C@@H](O)c1ccccc1 34a_100000212225_100000729684 [0,0,0,0,0,0|2,0,2]=4 107 B14R1.420 CC(C)OCC[C@H](N)c1ccccc1 34a_100025705951_100000210206 [0,0,0,0,0,0|3,0,1]=4 108 B14R1.420 CC(C)OCN[C@H](C)c1ccccc1 2230a_100000751104_100000709892 [0,0,0,0,0,0|3,0,1]=4 109 B14R1.420 CC(C)OCO[C@H](C)c1ccccc1 34a_100000761318_100000709892 [0,0,0,0,0,0|2,0,1]=3 110 B14R1.420 CC(C)OCSC(C)c1ccccc1 62a_100000230085_100000709892 [0,0,0,0,0,0|2,1,1]=4 111 B14R1.420 CC(C)OCSC(C)c1ccccc1 62a_100000709892_100000230085 [0,0,0,0,0,0|2,1,1]=4 112 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [0,0,0,0,0,0|2,0,0]=2 113 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [0,0,0,0,0,0|2,0,0]=2 114 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [0,0,0,0,0,0|2,0,0]=2 115 B14R1.420 CC(C)SCCN(C)c1ccccc1 2230a_100000210012_100000730970 [0,0,0,0,0,0|4,0,0]=4 116 B14R1.420 CC(C)SCCN(C)c1ccccc1 269982a_100000210012_100000730970 [0,0,0,0,0,0|4,0,0]=4 117 B14R1.420 CC(C)SCCN(C)c1ccccc1 34a_100000210012_100000730970 [0,0,0,0,0,0|4,0,0]=4 118 B14R1.420 CC(C)SCCS(=O)c1ccccc1 62a_100000210206_100000740319 [0,0,0,0,0,0|3,0,0]=3 119 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000210206_100000729684 [0,0,0,0,0,0|2,0,2]=4 120 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000210206 [0,0,0,0,0,0|2,0,2]=4 121 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000210206 [0,0,0,0,0,0|1,0,0]=1 122 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000210206_100000073877 [0,0,0,0,0,0|1,0,0]=1 123 B14R1.420 CC(F)COCC(=O)c1ccccn1 34a_100015925927_100000027445 [0,0,0,0,0,0|4,0,0]=4 124 B14R1.420 CC(NCCN(C)C)c1ccccc1 269862a_100000210585_100000185851 [0,0,0,0,0,0|3,0,1]=4 125 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,0,0,0,0,0|2,0,0]=2 126 B14R1.420 CC(O)CCCN(C)c1ccccc1 2230a_100000210012_200000718107 [0,0,0,0,0,0|4,0,0]=4 127 B14R1.420 CC(O)CCCN(C)c1ccccc1 269982a_100000210012_200000718107 [0,0,0,0,0,0|4,0,0]=4 128 B14R1.420 CC(O)CCCN(C)c1ccccc1 34a_100000210012_200000718107 [0,0,0,0,0,0|4,0,0]=4 129 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,0,0,0,0,0|2,0,0]=2 130 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,0,0,0,0,0|2,0,0]=2 131 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,0,0,0,0,0|3,0,1]=4 132 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,0,0,0,0,0|3,0,1]=4 133 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,0,0,0,0,0|2,0,1]=3 135 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,0,0,0,0,0|2,0,1]=3 136 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [0,0,0,0,0,0|2,1,1]=4 137 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [0,0,0,0,0,0|2,1,1]=4 138 B14R1.420 CC(O)CNCC(=O)c1ccccn1 34a_100000210904_100000027445 [0,0,0,0,0,0|4,0,0]=4 139 B14R1.420 CC(O)CNNC(=O)c1ccccc1 22a_200000730056_100000185807 [0,0,0,0,0,0|3,0,0]=3 140 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [0,0,0,0,0,0|3,0,0]=3 141 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [0,0,0,0,0,0|3,0,0]=3 142 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100000027445_100011218427 [0,0,0,0,0,0|4,0,0]=4 143 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100011218427_100000027445 [0,0,0,0,0,0|4,0,0]=4 144 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100000757877_100011218427 [0,0,0,0,0,0|4,0,0]=4 145 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100011218427_100000757877 [0,0,0,0,0,0|4,0,0]=4 146 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100000027454_100011218427 [0,0,0,0,0,0|4,0,0]=4 147 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100011218427_100000027454 [0,0,0,0,0,0|4,0,0]=4 148 B14R1.420 CC(O)CSCS(=O)c1ccccc1 62a_100011218427_100000031784 [0,0,0,0,0,0|4,0,0]=4 149 B14R1.420 CC(OCCC(F)F)c1ccccc1 34a_100103093639_100000211855 [0,0,0,0,0,0|3,0,1]=4 150 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,0,0,0,0,0|2,0,1]=3 151 B14R1.420 CC(SCCN(C)C)c1ccccc1 62a_100000230085_100000755713 [0,0,0,0,0,0|2,1,1]=4 152 B14R1.420 CN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100000695564 [0,0,0,0,0,0|2,0,0]=2 153 B14R1.420 CN(C)CCCC(=O)c1ccccc1 2230a_100102631434_100000211006 [0,0,0,0,0,0|2,0,0]=2 154 B14R1.420 CN(C)CCCC(=O)c1ccccc1 269982a_100102631434_100000211006 [0,0,0,0,0,0|2,0,0]=2 155 B14R1.420 CN(C)CCCN(C)c1ccccc1 269982a_100000210012_100000757444 [0,0,0,0,0,0|4,0,0]=4 156 B14R1.420 CN(C)CCNC(=O)c1ccccc1 240690a_100000210585_100000185807 [0,0,0,0,0,0|2,0,0]=2 157 B14R1.420 CN(C)CCNC(=O)c1ccccc1 269982a_100102631434_200011215302 [0,0,0,0,0,0|2,0,0]=2 158 B14R1.420 CN(C)CCNC(=O)c1ccccc1 527a_100000210585_100000185807 [0,0,0,0,0,0|2,0,0]=2 159 B14R1.420 CN(C)CCOC(=O)c1ccccc1 269982a_100102631434_100009812718 [0,0,0,0,0,0|1,0,0]=1 160 B14R1.420 C[C@@H](Cl)COCC(=O)c1ccccn1 34a_100016084084_100000027445 [0,0,0,0,0,0|4,0,0]=4 161 B14R1.420 C[C@@H](N)COCC(=O)c1ccccn1 34a_100000737577_100000027445 [0,0,0,0,0,0|4,0,0]=4 162 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [0,0,0,0,0,0|3,0,0]=3 163 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [0,0,0,0,0,0|3,0,0]=3 164 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100000027445_100009817552 [0,0,0,0,0,0|4,0,0]=4 165 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100009817552_100000027445 [0,0,0,0,0,0|4,0,0]=4 166 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100000757877_100009817552 [0,0,0,0,0,0|4,0,0]=4 167 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100009817552_100000757877 [0,0,0,0,0,0|4,0,0]=4 168 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100000027454_100009817552 [0,0,0,0,0,0|4,0,0]=4 169 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100009817552_100000027454 [0,0,0,0,0,0|4,0,0]=4 170 B14R1.420 C[C@@H](O)CSCS(=O)c1ccccc1 62a_100009817552_100000031784 [0,0,0,0,0,0|4,0,0]=4 171 B14R1.420 C[C@@H](OCCN(C)C)c1ccccc1 7a_100000761318_100000755713 [0,0,0,0,0,0|2,0,1]=3 172 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,0,0,0,0,0|3,0,1]=4 173 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,0,0,0,0,0|3,0,1]=4 174 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,0,0,0,0,0|3,0,1]=4 175 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,0,0,0,0,0|3,0,1]=4 176 B14R1.420 O=C(CSCC(F)F)c1ccccc1 62a_100000211460_100011934356 [0,0,0,0,0,0|4,0,0]=4 177 B14R1.420 O=C(CSCC(F)F)c1ccccc1 62a_100011934356_100000211460 [0,0,0,0,0,0|4,0,0]=4 178 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,0,0,0,0,0|2,0,1]=3 179 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [1,0,0,0,0,0|1,0,2]=4 180 B13R1.24 C#CCCNC(=O)c1ccccc1 11a_100000755551_100000185807 [1,0,0,0,0,0|1,0,2]=4 181 B13R1.24 C#CCCNC(=O)c1ccccc1 1626a_100000755551_100000185807 [1,0,0,0,0,0|1,0,2]=4 182 B13R1.24 C#CCCNC(=O)c1ccccc1 240690a_100000755551_100000185807 [1,0,0,0,0,0|1,0,2]=4 183 B13R1.24 C#CCCNC(=O)c1ccccc1 527a_100000755551_100000185807 [1,0,0,0,0,0|1,0,2]=4 184 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [1,0,0,0,0,0|1,0,2]=4 185 B13R1.24 C=CCCNC(=O)c1ccccc1 11a_100015191253_100000185807 [1,0,0,0,0,0|1,0,2]=4 186 B13R1.24 C=CCCNC(=O)c1ccccc1 1626a_100015191253_100000185807 [1,0,0,0,0,0|1,0,2]=4 187 B13R1.24 C=CCCNC(=O)c1ccccc1 240690a_100015191253_100000185807 [1,0,0,0,0,0|1,0,2]=4 188 B13R1.24 C=CCCNC(=O)c1ccccc1 527a_100015191253_100000185807 [1,0,0,0,0,0|1,0,2]=4 189 B13R1.24 CC#CCNC(=O)c1ccccc1 11a_100000685387_100000185807 [1,0,0,0,0,0|1,0,2]=4 190 B13R1.24 CC#CCNC(=O)c1ccccc1 1626a_100000685387_100000185807 [1,0,0,0,0,0|1,0,2]=4 191 B13R1.24 CC#CCNC(=O)c1ccccc1 527a_100000685387_100000185807 [1,0,0,0,0,0|1,0,2]=4 192 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [1,0,0,0,0,0|1,0,2]=4 197 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [1,0,0,0,0,0|1,0,2]=4 198 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [1,0,0,0,0,0|1,0,0]=2 200 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [1,0,0,0,0,0|3,0,0]=4 203 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [1,0,0,0,0,0|1,0,0]=2 212 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [1,0,0,0,0,0|1,0,0]=2 213 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [1,0,0,0,0,0|1,0,0]=2 214 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [1,0,0,0,0,0|1,0,0]=2 215 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [1,0,0,0,0,0|2,0,1]=4 216 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [1,0,0,0,0,0|2,0,1]=4 218 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [1,0,0,0,0,0|2,0,1]=4 219 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [1,0,0,0,0,0|1,0,1]=3 220 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [1,0,0,0,0,0|1,0,1]=3 221 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [1,0,0,0,0,0|1,0,1]=3 222 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [1,0,0,0,0,0|1,0,1]=3 223 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [1,0,0,0,0,0|1,1,1]=4 224 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [1,0,0,0,0,0|1,1,1]=4 225 B13R1.24 CCCNN=C(C)c1ccccc1 4a_100000740057_100000185851 [1,0,0,0,0,0|3,0,0]=4 226 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [1,0,0,0,0,0|2,0,0]=3 227 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [1,0,0,0,0,0|3,0,0]=4 228 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [1,0,0,0,0,0|2,0,0]=3 229 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [1,0,0,0,0,0|2,0,0]=3 230 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [1,0,0,0,0,0|3,0,0]=4 231 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [1,0,0,0,0,0|3,0,0]=4 232 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [1,0,0,0,0,0|3,0,0]=4 233 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [1,0,0,0,0,0|3,0,0]=4 234 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [1,0,0,0,0,0|3,0,0]=4 235 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [1,0,0,0,0,0|3,0,0]=4 236 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [1,0,0,0,0,0|3,0,0]=4 237 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [1,0,0,0,0,0|2,0,0]=3 238 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [1,0,0,0,0,0|3,0,0]=4 239 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [1,0,0,0,0,0|2,0,0]=3 240 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [1,0,0,0,0,0|2,0,0]=3 241 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [1,0,0,0,0,0|2,0,0]=3 242 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [1,0,0,0,0,0|2,0,0]=3 243 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [1,0,0,0,0,0|1,0,0]=2 245 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [1,0,0,0,0,0|1,0,0]=2 246 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [1,0,0,0,0,0|2,0,0]=3 247 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [1,0,0,0,0,0|2,0,0]=3 248 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [1,0,0,0,0,0|2,0,0]=3 250 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [1,0,0,0,0,0|1,0,0]=2 252 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [1,0,0,0,0,0|1,0,0]=2 253 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [1,0,0,0,0,0|2,0,0]=3 254 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [1,0,0,0,0,0|2,0,0]=3 255 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [1,0,0,0,0,0|2,0,0]=3 256 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [1,0,0,0,0,0|2,0,0]=3 257 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [1,0,0,0,0,0|2,0,0]=3 258 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [1,0,0,0,0,0|1,0,0]=2 260 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [1,0,0,0,0,0|1,0,0]=2 261 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [1,0,0,0,0,0|2,0,1]=4 262 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [1,0,0,0,0,0|2,0,1]=4 263 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [1,0,0,0,0,0|2,0,1]=4 264 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [1,0,0,0,0,0|3,0,0]=4 265 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [1,0,0,0,0,0|3,0,0]=4 266 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [1,0,0,0,0,0|2,0,0]=3 268 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [1,0,0,0,0,0|2,0,0]=3 269 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [1,0,0,0,0,0|2,0,0]=3 270 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [1,0,0,0,0,0|2,0,0]=3 271 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [1,0,0,0,0,0|2,0,0]=3 272 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [1,0,0,0,0,0|2,0,0]=3 273 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [1,0,0,0,0,0|1,0,0]=2 275 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [1,0,0,0,0,0|1,0,0]=2 276 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [1,0,0,0,0,0|2,0,1]=4 277 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [1,0,0,0,0,0|2,0,1]=4 280 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [1,0,0,0,0,0|3,0,0]=4 281 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [1,0,0,0,0,0|2,0,1]=4 283 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [1,0,0,0,0,0|2,0,1]=4 284 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [1,0,0,0,0,0|2,0,1]=4 285 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [1,0,0,0,0,0|2,0,1]=4 286 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [1,0,0,0,0,0|2,0,1]=4 287 B13R1.24 N#CCCNC(=O)c1ccccc1 11a_100000720768_100000185807 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.24 N#CCCNC(=O)c1ccccc1 1626a_100000720768_100000185807 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.24 N#CCCNC(=O)c1ccccc1 240690a_100000720768_100000185807 [1,0,0,0,0,0|2,0,1]=4 290 B13R1.24 N#CCCNC(=O)c1ccccc1 527a_100000720768_100000185807 [1,0,0,0,0,0|2,0,1]=4 291 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [1,0,0,0,0,0|2,0,0]=3 292 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [1,0,0,0,0,0|2,0,0]=3 293 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [1,0,0,0,0,0|3,0,0]=4 294 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [1,0,0,0,0,0|3,0,0]=4 296 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [1,0,0,0,0,0|3,0,0]=4 297 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [1,0,0,0,0,0|3,0,0]=4 298 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [1,0,0,0,0,0|3,0,0]=4 299 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [1,0,0,0,0,0|2,0,0]=3 300 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [1,0,0,0,0,0|2,0,0]=3 301 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [1,0,0,0,0,0|2,0,0]=3 302 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [1,0,0,0,0,0|2,0,0]=3 303 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [1,0,0,0,0,0|2,0,0]=3 304 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [1,0,0,0,0,0|2,0,0]=3 305 B13R1.24 O=C(NNCCO)c1ccccc1 22a_100000210001_100000185807 [1,0,0,0,0,0|3,0,0]=4 306 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [1,0,0,0,0,0|2,0,0]=3 307 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [1,0,0,0,0,0|2,0,0]=3 308 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [1,0,0,0,0,0|3,0,0]=4 310 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [1,0,0,0,0,0|2,0,0]=3 312 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [1,0,0,0,0,0|1,0,0]=2 313 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [1,0,0,0,0,0|2,0,0]=3 315 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [1,0,0,0,0,0|2,0,0]=3 316 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [1,0,0,0,0,0|2,0,0]=3 317 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [1,0,0,0,0,0|1,0,0]=2 318 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [1,0,0,0,0,0|1,0,0]=2 319 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [1,0,0,0,0,0|0,0,3]=4 320 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [1,0,0,0,0,0|0,0,3]=4 321 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [1,0,0,0,0,0|0,0,3]=4 322 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [1,0,0,0,0,0|0,0,3]=4 323 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [1,0,0,0,0,0|0,0,3]=4 324 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [1,0,0,0,0,0|0,0,3]=4 325 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,0|1,0,2]=4 326 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,0|1,0,2]=4 327 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,0|1,0,2]=4 328 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,0|1,0,2]=4 329 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,0|1,0,2]=4 330 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [1,0,0,0,0,0|1,0,1]=3 331 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [1,0,0,0,0,0|2,0,1]=4 332 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [1,0,0,0,0,0|2,0,1]=4 333 B13R1.337 CC(C)CC=NNc1ccccc1 4a_100015195140_100000185833 [1,0,0,0,0,0|2,0,1]=4 334 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [1,0,0,0,0,0|2,0,0]=3 335 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [1,0,0,0,0,0|2,0,0]=3 336 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [1,0,0,0,0,0|2,0,0]=3 337 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [1,0,0,0,0,0|3,0,0]=4 338 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [1,0,0,0,0,0|3,0,0]=4 339 B13R1.337 CC(C)CCCOc1ccncc1 34a_100000212176_100011214892 [1,0,0,0,0,0|3,0,0]=4 340 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [1,0,0,0,0,0|2,0,0]=3 341 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [1,0,0,0,0,0|2,0,0]=3 342 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [1,0,0,0,0,0|3,0,0]=4 343 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [1,0,0,0,0,0|3,0,0]=4 344 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.337 CC(C)CCCSc1ccncc1 62a_100000728582_100011214892 [1,0,0,0,0,0|3,0,0]=4 347 B13R1.337 CC(C)CCCSc1ccncc1 62a_100011214892_100000728582 [1,0,0,0,0,0|3,0,0]=4 348 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [1,0,0,0,0,0|1,0,1]=3 349 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [1,0,0,0,0,0|1,0,1]=3 350 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [1,0,0,0,0,0|1,0,1]=3 351 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [1,0,0,0,0,0|1,0,1]=3 352 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [1,0,0,0,0,0|1,0,1]=3 353 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [1,0,0,0,0,0|2,0,1]=4 354 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [1,0,0,0,0,0|2,0,1]=4 355 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [1,0,0,0,0,0|2,0,1]=4 356 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [1,0,0,0,0,0|2,0,1]=4 357 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [1,0,0,0,0,0|2,0,1]=4 358 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [1,0,0,0,0,0|2,0,1]=4 359 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [1,0,0,0,0,0|2,0,1]=4 360 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [1,0,0,0,0,0|0,0,1]=2 361 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [1,0,0,0,0,0|0,0,1]=2 362 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [1,0,0,0,0,0|0,0,1]=2 363 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [1,0,0,0,0,0|0,0,1]=2 364 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [1,0,0,0,0,0|1,0,1]=3 365 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [1,0,0,0,0,0|1,0,1]=3 366 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [1,0,0,0,0,0|1,0,1]=3 367 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [1,0,0,0,0,0|1,0,1]=3 368 B13R1.337 CC(C)CCOCc1cccnn1 34a_100000210254_100016990269 [1,0,0,0,0,0|2,0,1]=4 369 B13R1.337 CC(C)CCOCc1cccnn1 7a_100000210254_100016990269 [1,0,0,0,0,0|2,0,1]=4 370 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [1,0,0,0,0,0|1,0,1]=3 371 B13R1.337 CC(C)CCOCc1cnccn1 34a_100000210254_100016995436 [1,0,0,0,0,0|2,0,1]=4 372 B13R1.337 CC(C)CCOCc1cnccn1 7a_100000210254_100016995436 [1,0,0,0,0,0|2,0,1]=4 373 B13R1.337 CC(C)CCOCc1cncnc1 34a_100000210254_100015196519 [1,0,0,0,0,0|2,0,1]=4 374 B13R1.337 CC(C)CCOCc1cncnc1 7a_100000210254_100015196519 [1,0,0,0,0,0|2,0,1]=4 375 B13R1.337 CC(C)CCOCc1ncccn1 34a_100000210254_100000703007 [1,0,0,0,0,0|2,0,1]=4 376 B13R1.337 CC(C)CCOCc1ncccn1 7a_100000210254_100000703007 [1,0,0,0,0,0|2,0,1]=4 377 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [1,0,0,0,0,0|0,1,1]=3 378 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [1,0,0,0,0,0|0,1,1]=3 379 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [1,0,0,0,0,0|1,1,1]=4 380 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [1,0,0,0,0,0|1,1,1]=4 381 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [1,0,0,0,0,0|1,1,1]=4 382 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [1,0,0,0,0,0|1,1,1]=4 383 B13R1.337 CC(C)CCSCc1ccncc1 62a_100000210312_100015193705 [1,0,0,0,0,0|1,1,1]=4 384 B13R1.337 CC(C)CCSCc1ccncc1 62a_100015193705_100000210312 [1,0,0,0,0,0|1,1,1]=4 385 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [1,0,0,0,0,0|2,0,1]=4 386 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [1,0,0,0,0,0|2,0,1]=4 387 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [1,0,0,0,0,0|2,0,1]=4 388 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [1,0,0,0,0,0|2,0,1]=4 389 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [1,0,0,0,0,0|2,0,1]=4 390 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [1,0,0,0,0,0|3,0,0]=4 391 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [1,0,0,0,0,0|2,0,1]=4 392 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [1,0,0,0,0,0|2,0,1]=4 393 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [1,0,0,0,0,0|2,0,1]=4 394 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [1,0,0,0,0,0|2,0,1]=4 395 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [1,0,0,0,0,0|2,0,1]=4 396 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [1,0,0,0,0,0|3,0,0]=4 397 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [1,0,0,0,0,0|3,0,0]=4 398 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [1,0,0,0,0,0|2,0,0]=3 399 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [1,0,0,0,0,0|2,0,0]=3 400 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [1,0,0,0,0,0|2,0,0]=3 401 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [1,0,0,0,0,0|2,0,0]=3 402 B13R1.337 CC(C)NCC#Cc1ccccc1 2230a_100138425928_100011352542 [1,0,0,0,0,0|2,0,1]=4 403 B13R1.337 CC(C)NCC#Cc1ccccc1 34a_100000735379_100000210206 [1,0,0,0,0,0|2,0,1]=4 404 B13R1.337 CC(C)NCC#Cc1ccccc1 34a_100138425928_100011352542 [1,0,0,0,0,0|2,0,1]=4 405 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [1,0,0,0,0,0|2,0,1]=4 406 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [1,0,0,0,0,0|2,0,1]=4 407 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [1,0,0,0,0,0|2,0,1]=4 408 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [1,0,0,0,0,0|2,0,1]=4 409 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [1,0,0,0,0,0|3,0,0]=4 410 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [1,0,0,0,0,0|3,0,0]=4 411 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [1,0,0,0,0,0|3,0,0]=4 412 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [1,0,0,0,0,0|3,0,0]=4 413 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100000189519_100000210206 [1,0,0,0,0,0|3,0,0]=4 414 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100138425928_100000246102 [1,0,0,0,0,0|3,0,0]=4 415 B13R1.337 CC(C)NCCSc1ccccc1 34a_100138425928_100000246102 [1,0,0,0,0,0|3,0,0]=4 416 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [1,0,0,0,0,0|1,0,1]=3 417 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [1,0,0,0,0,0|1,0,1]=3 418 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [1,0,0,0,0,0|1,1,1]=4 419 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [1,0,0,0,0,0|1,1,1]=4 420 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [1,0,0,0,0,0|2,0,0]=3 421 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [1,0,0,0,0,0|2,0,0]=3 422 B13R1.337 CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000210206 [1,0,0,0,0,0|3,0,0]=4 423 B13R1.337 CC(C)OCC#Cc1ccccc1 34a_100000212225_100011352542 [1,0,0,0,0,0|2,0,1]=4 424 B13R1.337 CC(C)OCC#Cc1ccccc1 34a_100011217464_100000210206 [1,0,0,0,0,0|2,0,1]=4 425 B13R1.337 CC(C)OCC#Cc1ccccc1 7a_100011217464_100000210206 [1,0,0,0,0,0|2,0,1]=4 426 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [1,0,0,0,0,0|2,0,1]=4 427 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [1,0,0,0,0,0|2,0,1]=4 428 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [1,0,0,0,0,0|2,0,1]=4 429 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000106764_100000211751 [1,0,0,0,0,0|3,0,0]=4 430 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000211345_100000210206 [1,0,0,0,0,0|3,0,0]=4 431 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [1,0,0,0,0,0|3,0,0]=4 432 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [1,0,0,0,0,0|3,0,0]=4 433 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [1,0,0,0,0,0|3,0,0]=4 434 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [1,0,0,0,0,0|3,0,0]=4 435 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [1,0,0,0,0,0|3,0,0]=4 436 B13R1.337 CC(C)OCCSc1ccccc1 34a_100000212225_100000246102 [1,0,0,0,0,0|3,0,0]=4 437 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000211751_100000041952 [1,0,0,0,0,0|3,0,0]=4 438 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000719477_100000211751 [1,0,0,0,0,0|3,0,0]=4 439 B13R1.337 CC(C)OCCSc1ccccc1 7a_100000230494_100000210206 [1,0,0,0,0,0|3,0,0]=4 440 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [1,0,0,0,0,0|2,0,1]=4 441 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [1,0,0,0,0,0|2,0,1]=4 442 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [1,0,0,0,0,0|1,0,1]=3 443 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [1,0,0,0,0,0|1,0,1]=3 444 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [1,0,0,0,0,0|1,1,1]=4 445 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [1,0,0,0,0,0|1,1,1]=4 446 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [1,0,0,0,0,0|1,1,1]=4 447 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [1,0,0,0,0,0|2,0,0]=3 448 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [1,0,0,0,0,0|2,0,0]=3 449 B13R1.337 CC(C)SCC#Cc1ccccc1 62a_100000210206_100011352542 [1,0,0,0,0,0|2,0,1]=4 450 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [1,0,0,0,0,0|2,0,1]=4 451 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [1,0,0,0,0,0|2,0,1]=4 452 B13R1.337 CC(C)SCCNc1ccccc1 34a_100000106764_100000730970 [1,0,0,0,0,0|3,0,0]=4 453 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [1,0,0,0,0,0|3,0,0]=4 454 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [1,0,0,0,0,0|3,0,0]=4 455 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [1,0,0,0,0,0|3,0,0]=4 456 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [1,0,0,0,0,0|3,0,0]=4 457 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000210206_100000246102 [1,0,0,0,0,0|3,0,0]=4 458 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000246102_100000210206 [1,0,0,0,0,0|3,0,0]=4 459 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000719477_100000730970 [1,0,0,0,0,0|3,0,0]=4 460 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000730970_100000041952 [1,0,0,0,0,0|3,0,0]=4 461 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [1,0,0,0,0,0|1,0,1]=3 462 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [1,0,0,0,0,0|1,0,1]=3 463 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [1,0,0,0,0,0|1,1,1]=4 464 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [1,0,0,0,0,0|1,1,1]=4 465 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [1,0,0,0,0,0|3,0,0]=4 466 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [1,0,0,0,0,0|3,0,0]=4 467 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [1,0,0,0,0,0|3,0,0]=4 468 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [1,0,0,0,0,0|3,0,0]=4 469 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [1,0,0,0,0,0|3,0,0]=4 470 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [1,0,0,0,0,0|2,0,1]=4 471 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [1,0,0,0,0,0|2,0,1]=4 472 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [1,0,0,0,0,0|2,0,1]=4 473 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [1,0,0,0,0,0|2,0,1]=4 474 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [1,0,0,0,0,0|2,0,1]=4 475 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [1,0,0,0,0,0|1,0,1]=3 476 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [1,0,0,0,0,0|1,0,1]=3 477 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [1,0,0,0,0,0|1,1,1]=4 478 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [1,0,0,0,0,0|1,1,1]=4 479 B13R1.337 CC(O)CNN=Cc1ccccc1 4a_200000730056_100015611070 [1,0,0,0,0,0|3,0,0]=4 480 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [1,0,0,0,0,0|2,0,1]=4 481 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [1,0,0,0,0,0|2,0,1]=4 482 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [1,0,0,0,0,0|2,0,1]=4 483 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [1,0,0,0,0,0|2,0,1]=4 484 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [1,0,0,0,0,0|2,0,1]=4 485 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [1,0,0,0,0,0|3,0,0]=4 486 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [1,0,0,0,0,0|3,0,0]=4 487 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [1,0,0,0,0,0|3,0,0]=4 488 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [1,0,0,0,0,0|3,0,0]=4 489 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [1,0,0,0,0,0|3,0,0]=4 490 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [1,0,0,0,0,0|3,0,0]=4 491 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [1,0,0,0,0,0|3,0,0]=4 492 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [1,0,0,0,0,0|3,0,0]=4 493 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [1,0,0,0,0,0|3,0,0]=4 494 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [1,0,0,0,0,0|3,0,0]=4 495 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [1,0,0,0,0,0|2,0,1]=4 496 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [1,0,0,0,0,0|2,0,1]=4 497 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [1,0,0,0,0,0|1,0,1]=3 498 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [1,0,0,0,0,0|1,0,1]=3 499 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [1,0,0,0,0,0|1,0,1]=3 500 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [1,0,0,0,0,0|1,0,1]=3 501 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [1,0,0,0,0,0|1,0,1]=3 502 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [1,0,0,0,0,0|1,1,1]=4 503 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [1,0,0,0,0,0|1,1,1]=4 504 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [1,0,0,0,0,0|1,1,1]=4 505 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [1,0,0,0,0,0|2,0,1]=4 507 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [1,0,0,0,0,0|2,0,1]=4 508 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [1,0,0,0,0,0|3,0,0]=4 509 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [1,0,0,0,0,0|3,0,0]=4 510 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [1,0,0,0,0,0|3,0,0]=4 511 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [1,0,0,0,0,0|1,0,1]=3 513 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [1,0,0,0,0,0|1,0,1]=3 514 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [1,0,0,0,0,0|1,0,1]=3 515 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [1,0,0,0,0,0|2,0,1]=4 516 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [1,0,0,0,0,0|2,0,1]=4 517 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [1,0,0,0,0,0|2,0,1]=4 518 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,0|1,0,2]=4 519 B15R1.490 CC(=O)CCOS(=O)(=O)c1ccccc1 1458a_100000070787_200000070464 [0,1,0,0,0,0|2,0,1]=4 520 B15R1.490 CC(C)CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210312 [0,1,0,0,0,0|2,0,1]=4 521 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccc1 270084a_100000210545_100000210345 [0,1,0,0,0,0|2,0,0]=3 522 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccc1 274078a_100000210545_100000210345 [0,1,0,0,0,0|2,0,0]=3 523 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccc1 40a_100000210545_100000032697 [0,1,0,0,0,0|2,0,0]=3 524 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccn1 270084a_100000210545_100016994956 [0,1,0,0,0,0|3,0,0]=4 525 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccn1 274078a_100000210545_100016994956 [0,1,0,0,0,0|3,0,0]=4 526 B15R1.490 CC(C)CCNS(=O)(=O)c1ccccn1 40a_100000210545_100000070048 [0,1,0,0,0,0|3,0,0]=4 527 B15R1.490 CC(C)CCNS(=O)(=O)c1cccnc1 270084a_100000210545_100000736704 [0,1,0,0,0,0|3,0,0]=4 528 B15R1.490 CC(C)CCNS(=O)(=O)c1cccnc1 274078a_100000210545_100000736704 [0,1,0,0,0,0|3,0,0]=4 529 B15R1.490 CC(C)CCOC(C)(C)c1ccccc1 7a_100000694644_100000210626 [0,1,0,0,0,0|1,0,1]=3 530 B15R1.490 CC(C)CCOC(C)(C)c1ccccn1 7a_100000041474_100000210626 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.490 CC(C)CCOC(F)(F)c1ccccc1 7a_100000210254_100000036403 [0,1,0,0,0,0|1,0,1]=3 532 B15R1.490 CC(C)CCSC(C)(C)c1ccccc1 62a_100000034625_100000210312 [0,1,0,0,0,0|1,1,1]=4 533 B15R1.490 CC(C)CCSC(C)(C)c1ccccc1 62a_100000210312_100000034625 [0,1,0,0,0,0|1,1,1]=4 534 B15R1.490 CC(C)CCSC(F)(F)c1ccccc1 62a_100000210312_100000036403 [0,1,0,0,0,0|1,1,1]=4 535 B15R1.490 CC(C)CNCS(=O)(=O)c1ccccc1 34a_100000210953_200009813291 [0,1,0,0,0,0|3,0,0]=4 536 B15R1.490 CC(C)CNNS(=O)(=O)c1ccccc1 40a_100000696102_100000032697 [0,1,0,0,0,0|3,0,0]=4 537 B15R1.490 CC(C)COCS(=O)(=O)c1ccccc1 34a_100000210257_200009813291 [0,1,0,0,0,0|3,0,0]=4 538 B15R1.490 CC(C)CSCS(=O)(=O)c1ccccc1 62a_100000210624_100000240042 [0,1,0,0,0,0|3,0,0]=4 539 B15R1.490 CC(C)CSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210760 [0,1,0,0,0,0|3,0,0]=4 540 B15R1.490 CC(C)NCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210206 [0,1,0,0,0,0|3,0,0]=4 541 B15R1.490 CC(C)NCCS(=O)(=O)c1ccccc1 2230a_100138425928_100000229977 [0,1,0,0,0,0|3,0,0]=4 542 B15R1.490 CC(C)OCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210206 [0,1,0,0,0,0|3,0,0]=4 543 B15R1.490 CC(C)OCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210206 [0,1,0,0,0,0|3,0,0]=4 544 B15R1.490 CC(C)SCCS(=O)(=O)c1ccccc1 62a_100000210206_100000229977 [0,1,0,0,0,0|3,0,0]=4 545 B15R1.490 CC(C)SCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210206 [0,1,0,0,0,0|3,0,0]=4 546 B15R1.490 CC(O)CCNS(=O)(=O)c1ccccc1 270084a_200000755665_100000210345 [0,1,0,0,0,0|3,0,0]=4 547 B15R1.490 CC(O)CCNS(=O)(=O)c1ccccc1 274078a_200000755665_100000210345 [0,1,0,0,0,0|3,0,0]=4 548 B15R1.490 CC(O)CCNS(=O)(=O)c1ccccc1 40a_200000755665_100000032697 [0,1,0,0,0,0|3,0,0]=4 549 B15R1.490 CC(O)CCOC(C)(C)c1ccccc1 7a_100000694644_100012276601 [0,1,0,0,0,0|2,0,1]=4 550 B15R1.490 CN(C)CCNS(=O)(=O)c1ccccc1 270084a_100000210585_100000210345 [0,1,0,0,0,0|3,0,0]=4 551 B15R1.490 CN(C)CCNS(=O)(=O)c1ccccc1 274078a_100000210585_100000210345 [0,1,0,0,0,0|3,0,0]=4 552 B15R1.490 CN(C)CCNS(=O)(=O)c1ccccc1 40a_100000210585_100000032697 [0,1,0,0,0,0|3,0,0]=4 553 B15R1.490 CN(C)CCOC(C)(C)c1ccccc1 7a_100000694644_100000755713 [0,1,0,0,0,0|2,0,1]=4 554 B15R1.490 CN(C)CCOS(=O)(=O)c1ccccc1 269982a_100102631434_200000070464 [0,1,0,0,0,0|2,0,0]=3 555 B15R1.500 C=C(C)C(=O)COC(=O)c1ccccc1 1458a_100000185857_100000073877 [0,1,0,0,0,0|0,0,3]=4 556 B15R1.500 CC(=NNC(=O)c1ccccc1)C(C)C 4a_100000184135_100000211110 [0,1,0,0,0,0|2,0,1]=4 557 B15R1.500 CC(=O)[C@H](C)CSC(=O)c1ccccc1 1458a_100016998329_200000210301 [0,1,0,0,0,0|1,1,1]=4 558 B15R1.500 CC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000210198_100000750707 [0,1,0,0,0,0|1,0,1]=3 559 B15R1.500 CC(C)C(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210206 [0,1,0,0,0,0|1,0,1]=3 560 B15R1.500 CC(C)C(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210206 [0,1,0,0,0,0|2,0,1]=4 561 B15R1.500 CC(C)C(=O)COC(=O)c1ccccc1 1458a_100000210198_100000073877 [0,1,0,0,0,0|0,0,1]=2 562 B15R1.500 CC(C)C(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000753385 [0,1,0,0,0,0|1,0,2]=4 563 B15R1.500 CC(C)C(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000753385 [0,1,0,0,0,0|1,0,2]=4 564 B15R1.500 CC(C)C(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210206 [0,1,0,0,0,0|0,2,1]=4 565 B15R1.500 CC(C)C(=O)NNC(=O)c1ccccc1 22a_100000184118_100000185807 [0,1,0,0,0,0|2,0,1]=4 566 B15R1.500 CC(C)C(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210198 [0,1,0,0,0,0|2,0,1]=4 567 B15R1.500 CC(C)C(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000139345 [0,1,0,0,0,0|2,0,1]=4 568 B15R1.500 CC(C)C(C)OCC(=O)c1ccccc1 7a_100000748068_100000211460 [0,1,0,0,0,0|2,0,0]=3 569 B15R1.500 CC(C)C(C)OCC(=O)c1ccccn1 7a_100000748068_100000027445 [0,1,0,0,0,0|3,0,0]=4 570 B15R1.500 CC(C)C(C)OCC(=O)c1ccncc1 7a_100000748068_100015248511 [0,1,0,0,0,0|3,0,0]=4 571 B15R1.500 CC(C)C(O)CNC(=O)c1ccccc1 11a_100000759067_100000185807 [0,1,0,0,0,0|1,0,0]=2 572 B15R1.500 CC(C)C(O)CNC(=O)c1ccccc1 240690a_100000759067_100000185807 [0,1,0,0,0,0|1,0,0]=2 573 B15R1.500 CC(C)C(O)CNC(=O)c1ccccc1 527a_100000759067_100000185807 [0,1,0,0,0,0|1,0,0]=2 574 B15R1.500 CC(C)N(C)CCC(=O)c1ccccc1 269982a_200000211004_100000750707 [0,1,0,0,0,0|2,0,0]=3 575 B15R1.500 CC(C)N(C)CCS(=O)c1ccccc1 269982a_200000211004_100000740319 [0,1,0,0,0,0|3,0,0]=4 576 B15R1.500 CC(C)N(C)COC(=O)c1ccccc1 269982a_200000211004_100000073877 [0,1,0,0,0,0|1,0,0]=2 577 B15R1.500 CC(COC(=O)c1ccccc1)N(C)C 270004a_100102631434_100000000904 [0,1,0,0,0,0|1,0,0]=2 578 B15R1.500 CC(F)C(=O)CCC(=O)c1ccccc1 1458a_100000062450_100000750707 [0,1,0,0,0,0|2,0,1]=4 579 B15R1.500 CC(F)C(=O)COC(=O)c1ccccc1 1458a_100000062450_100000073877 [0,1,0,0,0,0|1,0,1]=3 580 B15R1.500 CC(NCC(O)C(C)C)c1ccccc1 2230a_100000759067_100000230085 [0,1,0,0,0,0|2,0,1]=4 581 B15R1.500 CC(NCC(O)C(C)C)c1ccccc1 269862a_100000759067_100000185851 [0,1,0,0,0,0|2,0,1]=4 582 B15R1.500 CC(NCC(O)C(C)C)c1ccccc1 34a_100000759067_100000211855 [0,1,0,0,0,0|2,0,1]=4 583 B15R1.500 CC(OC[C@H](N)C(C)C)c1ccccc1 34a_100011830312_100000211855 [0,1,0,0,0,0|1,0,1]=3 584 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 11a_100015183351_100000185807 [0,1,0,0,0,0|2,0,1]=4 585 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 11a_100102631434_100000182045 [0,1,0,0,0,0|2,0,1]=4 586 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 1626a_100102631434_100000182045 [0,1,0,0,0,0|2,0,1]=4 587 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 240690a_100015183351_100000185807 [0,1,0,0,0,0|2,0,1]=4 588 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 240690a_100102631434_100000182045 [0,1,0,0,0,0|2,0,1]=4 589 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 527a_100015183351_100000185807 [0,1,0,0,0,0|2,0,1]=4 590 B15R1.500 CN(C)C(=O)CNC(=O)c1ccccc1 527a_100102631434_100000182045 [0,1,0,0,0,0|2,0,1]=4 591 B15R1.500 C[C@@H](O)C(=O)CCC(=O)c1ccccc1 1458a_100000717761_100000750707 [0,1,0,0,0,0|2,0,1]=4 592 B15R1.500 C[C@@H](O)C(=O)COC(=O)c1ccccc1 1458a_100000717761_100000073877 [0,1,0,0,0,0|1,0,1]=3 593 B15R1.500 C[C@H](CSC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100016998329_200025704644 [0,1,0,0,0,0|1,1,1]=4 594 B15R1.500 C[C@H](O)C(=O)CCC(=O)c1ccccc1 1458a_217856618621_100000750707 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.500 C[C@H](O)C(=O)COC(=O)c1ccccc1 1458a_217856618621_100000073877 [0,1,0,0,0,0|1,0,1]=3 596 B15R1.500 O=C(OCC(=O)C(O)O)c1ccccc1 1458a_100000233687_100000073877 [0,1,0,0,0,0|2,0,1]=4 597 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)Br)C 1458a_100000185839_100011217483 [0,1,0,0,0,0|1,0,2]=4 598 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)C)C 1458a_100000188618_100011217483 [0,1,0,0,0,0|1,0,2]=4 599 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)Cl)C 1458a_100000210187_100011217483 [0,1,0,0,0,0|1,0,2]=4 600 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)F)C 1458a_100000187176_100011217483 [0,1,0,0,0,0|1,0,2]=4 601 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)I)C 1458a_100000187904_100011217483 [0,1,0,0,0,0|1,0,2]=4 602 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)O)C 1458a_100000212099_100011217483 [0,1,0,0,0,0|1,0,2]=4 603 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Br)C 11a_100000718196_100000185839 [0,1,0,0,0,0|1,0,2]=4 604 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Br)C 1626a_100000718196_100000185839 [0,1,0,0,0,0|1,0,2]=4 605 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Br)C 527a_100000718196_100000185839 [0,1,0,0,0,0|1,0,2]=4 606 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 11a_100000718196_100000188618 [0,1,0,0,0,0|1,0,2]=4 607 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 1626a_100000718196_100000188618 [0,1,0,0,0,0|1,0,2]=4 608 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 527a_100000718196_100000188618 [0,1,0,0,0,0|1,0,2]=4 609 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Cl)C 11a_100000718196_100000210187 [0,1,0,0,0,0|1,0,2]=4 610 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Cl)C 1626a_100000718196_100000210187 [0,1,0,0,0,0|1,0,2]=4 611 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)Cl)C 527a_100000718196_100000210187 [0,1,0,0,0,0|1,0,2]=4 612 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)F)C 11a_100000718196_100000187176 [0,1,0,0,0,0|1,0,2]=4 613 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)F)C 1626a_100000718196_100000187176 [0,1,0,0,0,0|1,0,2]=4 614 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)F)C 527a_100000718196_100000187176 [0,1,0,0,0,0|1,0,2]=4 615 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)I)C 11a_100000718196_100000187904 [0,1,0,0,0,0|1,0,2]=4 616 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)I)C 1626a_100000718196_100000187904 [0,1,0,0,0,0|1,0,2]=4 617 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)I)C 527a_100000718196_100000187904 [0,1,0,0,0,0|1,0,2]=4 618 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)O)C 527a_100000718196_100000212099 [0,1,0,0,0,0|1,0,2]=4 619 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)Br 1458a_100000070787_100000211046 [0,1,0,0,0,0|2,0,1]=4 620 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215641 [0,1,0,0,0,0|2,0,1]=4 621 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215641 [0,1,0,0,0,0|2,0,1]=4 622 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)Cl 1458a_100000070787_200011217871 [0,1,0,0,0,0|2,0,1]=4 623 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215641 [0,1,0,0,0,0|2,0,1]=4 624 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211961 [0,1,0,0,0,0|2,0,1]=4 625 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215641 [0,1,0,0,0,0|2,0,1]=4 626 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215641 [0,1,0,0,0,0|2,0,1]=4 627 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)O 1458a_100000070787_100000039620 [0,1,0,0,0,0|2,0,1]=4 628 B15R1.882 CC(=O)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215641 [0,1,0,0,0,0|2,0,1]=4 629 B15R1.882 CC(=O)CCNC(=O)c1ccc(cc1)Br 1458a_100000184271_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B15R1.882 CC(=O)CCNC(=O)c1ccc(cc1)Cl 1458a_100000184362_200000210301 [0,1,0,0,0,0|2,0,1]=4 631 B15R1.882 CC(=O)CCNC(=O)c1ccc(cc1)F 1458a_100000195280_200000210301 [0,1,0,0,0,0|2,0,1]=4 632 B15R1.882 CC(Br)CCOC(C)c1ccc(cc1)Br 34a_100009893172_100000755118 [0,1,0,0,0,0|2,0,1]=4 633 B15R1.882 CC(Br)CCOC(C)c1ccc(cc1)F 34a_100009893172_100000743420 [0,1,0,0,0,0|2,0,1]=4 634 B15R1.882 CC(Br)COCC(=O)c1ccc(cc1)Br 34a_100012180447_100000188085 [0,1,0,0,0,0|3,0,0]=4 635 B15R1.882 CC(Br)COCC(=O)c1ccc(cc1)I 34a_100012180447_100011216261 [0,1,0,0,0,0|3,0,0]=4 636 B15R1.882 CC(Br)COCC(=O)c1ccc(cc1)O 34a_100012180447_100009814261 [0,1,0,0,0,0|3,0,0]=4 637 B15R1.882 CC(C)C=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000210432 [0,1,0,0,0,0|2,0,1]=4 638 B15R1.882 CC(C)C=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000210432 [0,1,0,0,0,0|2,0,1]=4 639 B15R1.882 CC(C)C=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000210432 [0,1,0,0,0,0|2,0,1]=4 640 B15R1.882 CC(C)C=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000210432 [0,1,0,0,0,0|2,0,1]=4 641 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214892 [0,1,0,0,0,0|1,0,0]=2 642 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214892 [0,1,0,0,0,0|1,0,0]=2 643 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214892 [0,1,0,0,0,0|1,0,0]=2 644 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214892 [0,1,0,0,0,0|1,0,0]=2 645 B15R1.882 CC(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214892 [0,1,0,0,0,0|1,0,0]=2 646 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100011214892 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100011214892 [0,1,0,0,0,0|3,0,0]=4 648 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Br 34a_100000219623_100011214892 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011214892 [0,1,0,0,0,0|3,0,0]=4 650 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011214892 [0,1,0,0,0,0|3,0,0]=4 651 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100011214892 [0,1,0,0,0,0|3,0,0]=4 652 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)F 2230a_100000219829_100011214892 [0,1,0,0,0,0|3,0,0]=4 653 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)F 269982a_100000219829_100011214892 [0,1,0,0,0,0|3,0,0]=4 654 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)F 34a_100000219829_100011214892 [0,1,0,0,0,0|3,0,0]=4 655 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)I 2230a_100000743151_100011214892 [0,1,0,0,0,0|3,0,0]=4 656 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)I 269982a_100000743151_100011214892 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)I 34a_100000743151_100011214892 [0,1,0,0,0,0|3,0,0]=4 658 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)O 269982a_100000182112_100011214892 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.882 CC(C)CCCN(C)c1ccc(cc1)O 34a_100000182112_100011214892 [0,1,0,0,0,0|3,0,0]=4 660 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Br 11a_100000210545_100000185839 [0,1,0,0,0,0|1,0,0]=2 661 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Br 1626a_100000210545_100000185839 [0,1,0,0,0,0|1,0,0]=2 662 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Br 240690a_100000210545_100000185839 [0,1,0,0,0,0|1,0,0]=2 663 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Br 527a_100000210545_100000185839 [0,1,0,0,0,0|1,0,0]=2 664 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Cl 11a_100000210545_100000210187 [0,1,0,0,0,0|1,0,0]=2 665 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Cl 1626a_100000210545_100000210187 [0,1,0,0,0,0|1,0,0]=2 666 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Cl 240690a_100000210545_100000210187 [0,1,0,0,0,0|1,0,0]=2 667 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)Cl 527a_100000210545_100000210187 [0,1,0,0,0,0|1,0,0]=2 668 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)F 11a_100000210545_100000187176 [0,1,0,0,0,0|1,0,0]=2 669 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)F 1626a_100000210545_100000187176 [0,1,0,0,0,0|1,0,0]=2 670 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)F 240690a_100000210545_100000187176 [0,1,0,0,0,0|1,0,0]=2 671 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)F 527a_100000210545_100000187176 [0,1,0,0,0,0|1,0,0]=2 672 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)I 11a_100000210545_100000187904 [0,1,0,0,0,0|1,0,0]=2 673 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)I 1626a_100000210545_100000187904 [0,1,0,0,0,0|1,0,0]=2 674 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)I 240690a_100000210545_100000187904 [0,1,0,0,0,0|1,0,0]=2 675 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)I 527a_100000210545_100000187904 [0,1,0,0,0,0|1,0,0]=2 676 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)O 240690a_100000210545_100000212099 [0,1,0,0,0,0|1,0,0]=2 677 B15R1.882 CC(C)CCNC(=O)c1ccc(cc1)O 527a_100000210545_100000212099 [0,1,0,0,0,0|1,0,0]=2 678 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)Br 269862a_100000210545_100000185794 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)Cl 269862a_100000210545_100000185797 [0,1,0,0,0,0|2,0,1]=4 680 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)F 269862a_100000210545_100000185800 [0,1,0,0,0,0|2,0,1]=4 681 B15R1.882 CC(C)CCNC(C)c1ccc(cc1)I 269862a_100000210545_100000185465 [0,1,0,0,0,0|2,0,1]=4 682 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210312 [0,1,0,0,0,0|2,0,1]=4 683 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 269862a_100025705893_100000185833 [0,1,0,0,0,0|2,0,1]=4 684 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210312 [0,1,0,0,0,0|2,0,1]=4 685 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210312 [0,1,0,0,0,0|2,0,1]=4 686 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)I 269862a_100000753911_100000185833 [0,1,0,0,0,0|2,0,1]=4 687 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210312 [0,1,0,0,0,0|2,0,1]=4 688 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210312 [0,1,0,0,0,0|2,0,1]=4 689 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Br 269862a_100000720352_100000185833 [0,1,0,0,0,0|2,0,1]=4 690 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210312 [0,1,0,0,0,0|2,0,1]=4 691 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 269862a_100015205461_100000185833 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.882 CC(C)CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210312 [0,1,0,0,0,0|2,0,1]=4 693 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)Br 34a_100000210254_100000755118 [0,1,0,0,0,0|1,0,1]=3 694 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210312 [0,1,0,0,0,0|1,0,1]=3 695 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210626 [0,1,0,0,0,0|1,0,1]=3 696 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)Cl 7a_100000210254_100000684792 [0,1,0,0,0,0|1,0,1]=3 697 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210312 [0,1,0,0,0,0|1,0,1]=3 698 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)F 34a_100000210254_100000743420 [0,1,0,0,0,0|1,0,1]=3 699 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210626 [0,1,0,0,0,0|1,0,1]=3 700 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)F 7a_100000210254_100000743420 [0,1,0,0,0,0|1,0,1]=3 701 B15R1.882 CC(C)CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210312 [0,1,0,0,0,0|1,0,1]=3 702 B15R1.882 CC(C)CCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210312 [0,1,0,0,0,0|2,0,1]=4 703 B15R1.882 CC(C)CCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210626 [0,1,0,0,0,0|2,0,1]=4 704 B15R1.882 CC(C)CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210312 [0,1,0,0,0,0|2,0,1]=4 705 B15R1.882 CC(C)CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210626 [0,1,0,0,0,0|2,0,1]=4 706 B15R1.882 CC(C)CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210312 [0,1,0,0,0,0|2,0,1]=4 707 B15R1.882 CC(C)CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210626 [0,1,0,0,0,0|2,0,1]=4 708 B15R1.882 CC(C)CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210312 [0,1,0,0,0,0|1,0,1]=3 709 B15R1.882 CC(C)CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210626 [0,1,0,0,0,0|1,0,1]=3 710 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)Br 62a_100000210312_100000755118 [0,1,0,0,0,0|1,1,1]=4 711 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210312 [0,1,0,0,0,0|1,1,1]=4 712 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)Cl 62a_100000210312_100000684792 [0,1,0,0,0,0|1,1,1]=4 713 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210312 [0,1,0,0,0,0|1,1,1]=4 714 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)F 62a_100000210312_100000743420 [0,1,0,0,0,0|1,1,1]=4 715 B15R1.882 CC(C)CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210312 [0,1,0,0,0,0|1,1,1]=4 716 B15R1.882 CC(C)CNCC(=O)c1ccc(cc1)Br 34a_100000210953_100000188085 [0,1,0,0,0,0|2,0,0]=3 717 B15R1.882 CC(C)CNCC(=O)c1ccc(cc1)I 34a_100000210953_100011216261 [0,1,0,0,0,0|2,0,0]=3 718 B15R1.882 CC(C)CNCC(=O)c1ccc(cc1)O 34a_100000210953_100009814261 [0,1,0,0,0,0|2,0,0]=3 719 B15R1.882 CC(C)CNNC(=O)c1ccc(cc1)Br 22a_100000696102_100000185839 [0,1,0,0,0,0|2,0,0]=3 720 B15R1.882 CC(C)CNNC(=O)c1ccc(cc1)Cl 22a_100000696102_100000210187 [0,1,0,0,0,0|2,0,0]=3 721 B15R1.882 CC(C)CNNC(=O)c1ccc(cc1)F 22a_100000696102_100000187176 [0,1,0,0,0,0|2,0,0]=3 722 B15R1.882 CC(C)CNNC(=O)c1ccc(cc1)I 22a_100000696102_100000187904 [0,1,0,0,0,0|2,0,0]=3 723 B15R1.882 CC(C)CNNC(=O)c1ccc(cc1)O 22a_100000696102_100000212099 [0,1,0,0,0,0|2,0,0]=3 724 B15R1.882 CC(C)COCC(=O)c1ccc(cc1)Br 34a_100000210257_100000188085 [0,1,0,0,0,0|2,0,0]=3 725 B15R1.882 CC(C)COCC(=O)c1ccc(cc1)F 34a_100000246311_100000210624 [0,1,0,0,0,0|2,0,0]=3 726 B15R1.882 CC(C)COCC(=O)c1ccc(cc1)I 34a_100000210257_100011216261 [0,1,0,0,0,0|2,0,0]=3 727 B15R1.882 CC(C)COCC(=O)c1ccc(cc1)O 34a_100000210257_100009814261 [0,1,0,0,0,0|2,0,0]=3 728 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210760 [0,1,0,0,0,0|2,0,0]=3 729 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000210624_100000211071 [0,1,0,0,0,0|2,0,0]=3 730 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210760 [0,1,0,0,0,0|2,0,0]=3 731 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)F 62a_100000210624_100000211279 [0,1,0,0,0,0|2,0,0]=3 732 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210760 [0,1,0,0,0,0|2,0,0]=3 733 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)I 62a_100000210624_100011216261 [0,1,0,0,0,0|2,0,0]=3 734 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210760 [0,1,0,0,0,0|2,0,0]=3 735 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)O 62a_100000210624_100009814261 [0,1,0,0,0,0|2,0,0]=3 736 B15R1.882 CC(C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210760 [0,1,0,0,0,0|2,0,0]=3 737 B15R1.882 CC(C)CSCC(=O)c1ccc(cn1)Cl 62a_100000210624_100016989621 [0,1,0,0,0,0|3,0,0]=4 738 B15R1.882 CC(C)CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210760 [0,1,0,0,0,0|3,0,0]=4 739 B15R1.882 CC(C)CSCC(=O)c1ccc(nc1)Cl 62a_100000210624_100009864725 [0,1,0,0,0,0|3,0,0]=4 740 B15R1.882 CC(C)CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210760 [0,1,0,0,0,0|3,0,0]=4 741 B15R1.882 CC(C)NCCC(=O)c1ccc(cc1)F 2230a_100138425928_100000211231 [0,1,0,0,0,0|2,0,0]=3 742 B15R1.882 CC(C)NCCC(=O)c1ccc(cc1)O 2230a_100138425928_100009879949 [0,1,0,0,0,0|2,0,0]=3 743 B15R1.882 CC(C)OCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000211751 [0,1,0,0,0,0|2,0,0]=3 744 B15R1.882 CC(C)OCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000211751 [0,1,0,0,0,0|2,0,0]=3 745 B15R1.882 CC(C)OCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000211751 [0,1,0,0,0,0|2,0,0]=3 746 B15R1.882 CC(C)OCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000211751 [0,1,0,0,0,0|2,0,0]=3 747 B15R1.882 CC(C)OCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000211751 [0,1,0,0,0,0|2,0,0]=3 748 B15R1.882 CC(C)OCOC(C)c1ccc(cc1)Br 34a_100000745893_100000709892 [0,1,0,0,0,0|2,0,1]=4 749 B15R1.882 CC(C)OCOC(C)c1ccc(cc1)F 34a_100000181323_100000709892 [0,1,0,0,0,0|2,0,1]=4 750 B15R1.882 CC(C)OCOC(C)c1ccc(cc1)N 34a_100011216399_100000709892 [0,1,0,0,0,0|2,0,1]=4 751 B15R1.882 CC(C)OCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000709892 [0,1,0,0,0,0|2,0,1]=4 752 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000730970 [0,1,0,0,0,0|2,0,0]=3 753 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Br 62a_100000210206_100011215963 [0,1,0,0,0,0|2,0,0]=3 754 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210206 [0,1,0,0,0,0|2,0,0]=3 755 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000730970 [0,1,0,0,0,0|2,0,0]=3 756 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100000210206_100011216492 [0,1,0,0,0,0|2,0,0]=3 757 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210206 [0,1,0,0,0,0|2,0,0]=3 758 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000730970 [0,1,0,0,0,0|2,0,0]=3 759 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)F 62a_100000210206_100000211231 [0,1,0,0,0,0|2,0,0]=3 760 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210206 [0,1,0,0,0,0|2,0,0]=3 761 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000730970 [0,1,0,0,0,0|2,0,0]=3 762 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000730970 [0,1,0,0,0,0|2,0,0]=3 763 B15R1.882 CC(C)SCCC(=O)c1ccc(cc1)O 62a_100000210206_100009879949 [0,1,0,0,0,0|2,0,0]=3 764 B15R1.882 CC(F)COCC(=O)c1ccc(cc1)Br 34a_100015925927_100000188085 [0,1,0,0,0,0|3,0,0]=4 765 B15R1.882 CC(F)COCC(=O)c1ccc(cc1)I 34a_100015925927_100011216261 [0,1,0,0,0,0|3,0,0]=4 766 B15R1.882 CC(F)COCC(=O)c1ccc(cc1)O 34a_100015925927_100009814261 [0,1,0,0,0,0|3,0,0]=4 767 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_200000718107 [0,1,0,0,0,0|2,0,0]=3 768 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000718107 [0,1,0,0,0,0|2,0,0]=3 769 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_200000718107 [0,1,0,0,0,0|2,0,0]=3 770 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_200000718107 [0,1,0,0,0,0|2,0,0]=3 771 B15R1.882 CC(O)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_200000718107 [0,1,0,0,0,0|2,0,0]=3 772 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)Br 240690a_200000755665_100000185839 [0,1,0,0,0,0|2,0,0]=3 773 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)Br 527a_200000755665_100000185839 [0,1,0,0,0,0|2,0,0]=3 774 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)Cl 240690a_200000755665_100000210187 [0,1,0,0,0,0|2,0,0]=3 775 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)Cl 527a_200000755665_100000210187 [0,1,0,0,0,0|2,0,0]=3 776 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)F 240690a_200000755665_100000187176 [0,1,0,0,0,0|2,0,0]=3 777 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)F 527a_200000755665_100000187176 [0,1,0,0,0,0|2,0,0]=3 778 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)I 240690a_200000755665_100000187904 [0,1,0,0,0,0|2,0,0]=3 779 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)I 527a_200000755665_100000187904 [0,1,0,0,0,0|2,0,0]=3 780 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)O 240690a_200000755665_100000212099 [0,1,0,0,0,0|2,0,0]=3 781 B15R1.882 CC(O)CCNC(=O)c1ccc(cc1)O 527a_200000755665_100000212099 [0,1,0,0,0,0|2,0,0]=3 782 B15R1.882 CC(O)CCOC(C)c1ccc(cc1)Br 34a_100000745893_100012276601 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.882 CC(O)CCOC(C)c1ccc(cc1)Br 7a_100000745893_100012276601 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.882 CC(O)CCOC(C)c1ccc(cc1)F 34a_100000181323_100012276601 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.882 CC(O)CCOC(C)c1ccc(cc1)F 7a_100000181323_100012276601 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.882 CC(O)CCOC(C)c1ccc(cc1)N 34a_100011216399_100012276601 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.882 CC(O)CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100012276601 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.882 CC(O)CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100012276601 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.882 CC(O)CNCC(=O)c1ccc(cc1)Br 34a_100000210904_100000188085 [0,1,0,0,0,0|3,0,0]=4 790 B15R1.882 CC(O)CNCC(=O)c1ccc(cc1)I 34a_100000210904_100011216261 [0,1,0,0,0,0|3,0,0]=4 791 B15R1.882 CC(O)CNCC(=O)c1ccc(cc1)O 34a_100000210904_100009814261 [0,1,0,0,0,0|3,0,0]=4 792 B15R1.882 CC(O)CNNC(=O)c1ccc(cc1)Br 22a_200000730056_100000185839 [0,1,0,0,0,0|3,0,0]=4 793 B15R1.882 CC(O)CNNC(=O)c1ccc(cc1)Cl 22a_200000730056_100000210187 [0,1,0,0,0,0|3,0,0]=4 794 B15R1.882 CC(O)CNNC(=O)c1ccc(cc1)F 22a_200000730056_100000187176 [0,1,0,0,0,0|3,0,0]=4 795 B15R1.882 CC(O)CNNC(=O)c1ccc(cc1)I 22a_200000730056_100000187904 [0,1,0,0,0,0|3,0,0]=4 796 B15R1.882 CC(O)CNNC(=O)c1ccc(cc1)O 22a_200000730056_100000212099 [0,1,0,0,0,0|3,0,0]=4 797 B15R1.882 CC(O)COCC(=O)c1ccc(cc1)F 34a_100000246311_100011218427 [0,1,0,0,0,0|3,0,0]=4 798 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011218427 [0,1,0,0,0,0|3,0,0]=4 799 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011218427 [0,1,0,0,0,0|3,0,0]=4 800 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)Cl 62a_100011218427_100000211071 [0,1,0,0,0,0|3,0,0]=4 801 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100011218427 [0,1,0,0,0,0|3,0,0]=4 802 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)F 62a_100011218427_100000211279 [0,1,0,0,0,0|3,0,0]=4 803 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100011218427 [0,1,0,0,0,0|3,0,0]=4 804 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)I 62a_100011218427_100011216261 [0,1,0,0,0,0|3,0,0]=4 805 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100011218427 [0,1,0,0,0,0|3,0,0]=4 806 B15R1.882 CC(O)CSCC(=O)c1ccc(cc1)O 62a_100011218427_100009814261 [0,1,0,0,0,0|3,0,0]=4 807 B15R1.882 CC(OCCN(C)C)c1ccc(cc1)Br 7a_100000745893_100000755713 [0,1,0,0,0,0|2,0,1]=4 808 B15R1.882 CC(OCCN(C)C)c1ccc(cc1)F 7a_100000181323_100000755713 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.882 CC(OCC[C@@H](C)N)c1ccc(cc1)Br 34a_100000706166_100000755118 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.882 CC(OCC[C@@H](C)N)c1ccc(cc1)F 34a_100000706166_100000743420 [0,1,0,0,0,0|2,0,1]=4 811 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000695564 [0,1,0,0,0,0|2,0,0]=3 812 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)Br 2230a_100102631434_100000211046 [0,1,0,0,0,0|2,0,0]=3 813 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)Br 269982a_100102631434_100000211046 [0,1,0,0,0,0|2,0,0]=3 814 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000695564 [0,1,0,0,0,0|2,0,0]=3 815 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)Cl 269982a_100102631434_200011217871 [0,1,0,0,0,0|2,0,0]=3 816 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000695564 [0,1,0,0,0,0|2,0,0]=3 817 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)F 2230a_100102631434_100000211961 [0,1,0,0,0,0|2,0,0]=3 818 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)F 269982a_100102631434_100000211961 [0,1,0,0,0,0|2,0,0]=3 819 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000695564 [0,1,0,0,0,0|2,0,0]=3 820 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000695564 [0,1,0,0,0,0|2,0,0]=3 821 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)O 2230a_100102631434_100000039620 [0,1,0,0,0,0|2,0,0]=3 822 B15R1.882 CN(C)CCCC(=O)c1ccc(cc1)O 269982a_100102631434_100000039620 [0,1,0,0,0,0|2,0,0]=3 823 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)Br 240690a_100000210585_100000185839 [0,1,0,0,0,0|2,0,0]=3 824 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)Br 527a_100000210585_100000185839 [0,1,0,0,0,0|2,0,0]=3 825 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)Cl 240690a_100000210585_100000210187 [0,1,0,0,0,0|2,0,0]=3 826 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)Cl 527a_100000210585_100000210187 [0,1,0,0,0,0|2,0,0]=3 827 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)F 240690a_100000210585_100000187176 [0,1,0,0,0,0|2,0,0]=3 828 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)F 527a_100000210585_100000187176 [0,1,0,0,0,0|2,0,0]=3 829 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)I 240690a_100000210585_100000187904 [0,1,0,0,0,0|2,0,0]=3 830 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)I 527a_100000210585_100000187904 [0,1,0,0,0,0|2,0,0]=3 831 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)O 240690a_100000210585_100000212099 [0,1,0,0,0,0|2,0,0]=3 832 B15R1.882 CN(C)CCNC(=O)c1ccc(cc1)O 527a_100000210585_100000212099 [0,1,0,0,0,0|2,0,0]=3 833 B15R1.882 C[C@@H](Cl)COCC(=O)c1ccc(cc1)Br 34a_100016084084_100000188085 [0,1,0,0,0,0|3,0,0]=4 834 B15R1.882 C[C@@H](Cl)COCC(=O)c1ccc(cc1)I 34a_100016084084_100011216261 [0,1,0,0,0,0|3,0,0]=4 835 B15R1.882 C[C@@H](Cl)COCC(=O)c1ccc(cc1)O 34a_100016084084_100009814261 [0,1,0,0,0,0|3,0,0]=4 836 B15R1.882 C[C@@H](N)COCC(=O)c1ccc(cc1)Br 34a_100000737577_100000188085 [0,1,0,0,0,0|3,0,0]=4 837 B15R1.882 C[C@@H](N)COCC(=O)c1ccc(cc1)I 34a_100000737577_100011216261 [0,1,0,0,0,0|3,0,0]=4 838 B15R1.882 C[C@@H](N)COCC(=O)c1ccc(cc1)O 34a_100000737577_100009814261 [0,1,0,0,0,0|3,0,0]=4 839 B15R1.882 C[C@@H](O)COCC(=O)c1ccc(cc1)F 34a_100000246311_100009817552 [0,1,0,0,0,0|3,0,0]=4 840 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100009817552 [0,1,0,0,0,0|3,0,0]=4 841 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100009817552 [0,1,0,0,0,0|3,0,0]=4 842 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)Cl 62a_100009817552_100000211071 [0,1,0,0,0,0|3,0,0]=4 843 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100009817552 [0,1,0,0,0,0|3,0,0]=4 844 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)F 62a_100009817552_100000211279 [0,1,0,0,0,0|3,0,0]=4 845 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)I 62a_100009817552_100011216261 [0,1,0,0,0,0|3,0,0]=4 846 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100009817552 [0,1,0,0,0,0|3,0,0]=4 847 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100009817552 [0,1,0,0,0,0|3,0,0]=4 848 B15R1.882 C[C@@H](O)CSCC(=O)c1ccc(cc1)O 62a_100009817552_100009814261 [0,1,0,0,0,0|3,0,0]=4 849 B15R1.882 C[C@H](OCCN(C)C)c1ccc(cc1)Cl 7a_100011852131_100000755713 [0,1,0,0,0,0|2,0,1]=4 850 B15R1.882 Cc1ccc(cc1)C(=O)CCCC(C)C 1458a_100000188618_100011214892 [0,1,0,0,0,0|1,0,0]=2 851 B15R1.882 Cc1ccc(cc1)C(=O)CCCC(C)O 1458a_100000188618_200000718107 [0,1,0,0,0,0|2,0,0]=3 852 B15R1.882 Cc1ccc(cc1)C(=O)CCCN(C)C 1458a_100000188618_100000695564 [0,1,0,0,0,0|2,0,0]=3 853 B15R1.882 Cc1ccc(cc1)C(=O)CCNC(C)C 2230a_100138425928_100000701375 [0,1,0,0,0,0|2,0,0]=3 854 B15R1.882 Cc1ccc(cc1)C(=O)CCOC(C)C 1458a_100000188618_100000211751 [0,1,0,0,0,0|2,0,0]=3 855 B15R1.882 Cc1ccc(cc1)C(=O)CCSC(C)C 1458a_100000188618_100000730970 [0,1,0,0,0,0|2,0,0]=3 856 B15R1.882 Cc1ccc(cc1)C(=O)CCSC(C)C 62a_100000210206_100000701375 [0,1,0,0,0,0|2,0,0]=3 857 B15R1.882 Cc1ccc(cc1)C(=O)CCSC(C)C 62a_100000701375_100000210206 [0,1,0,0,0,0|2,0,0]=3 858 B15R1.882 Cc1ccc(cc1)C(=O)CNCC(C)C 2230a_100000210953_100000211441 [0,1,0,0,0,0|2,0,0]=3 859 B15R1.882 Cc1ccc(cc1)C(=O)CNCC(C)C 34a_100000210953_100000211441 [0,1,0,0,0,0|2,0,0]=3 860 B15R1.882 Cc1ccc(cc1)C(=O)CNCC(C)O 2230a_100000210904_100000211441 [0,1,0,0,0,0|3,0,0]=4 861 B15R1.882 Cc1ccc(cc1)C(=O)CNCC(C)O 34a_100000210904_100000211441 [0,1,0,0,0,0|3,0,0]=4 862 B15R1.882 Cc1ccc(cc1)C(=O)COCC(C)Br 34a_100012180447_100000211441 [0,1,0,0,0,0|3,0,0]=4 863 B15R1.882 Cc1ccc(cc1)C(=O)COCC(C)C 34a_100000210257_100000211441 [0,1,0,0,0,0|2,0,0]=3 864 B15R1.882 Cc1ccc(cc1)C(=O)COCC(C)F 34a_100015925927_100000211441 [0,1,0,0,0,0|3,0,0]=4 865 B15R1.882 Cc1ccc(cc1)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000211441 [0,1,0,0,0,0|3,0,0]=4 866 B15R1.882 Cc1ccc(cc1)C(=O)COC[C@@H](C)N 34a_100000737577_100000211441 [0,1,0,0,0,0|3,0,0]=4 867 B15R1.882 Cc1ccc(cc1)C(=O)CSCC(C)C 62a_100000210624_100000211441 [0,1,0,0,0,0|2,0,0]=3 868 B15R1.882 Cc1ccc(cc1)C(=O)CSCC(C)C 62a_100000211441_100000210760 [0,1,0,0,0,0|2,0,0]=3 869 B15R1.882 Cc1ccc(cc1)C(=O)CSCC(C)O 62a_100000211441_100011218427 [0,1,0,0,0,0|3,0,0]=4 870 B15R1.882 Cc1ccc(cc1)C(=O)CSCC(C)O 62a_100011218427_100000211441 [0,1,0,0,0,0|3,0,0]=4 871 B15R1.882 Cc1ccc(cc1)C(=O)CSC[C@@H](C)O 62a_100000211441_100009817552 [0,1,0,0,0,0|3,0,0]=4 872 B15R1.882 Cc1ccc(cc1)C(=O)CSC[C@@H](C)O 62a_100009817552_100000211441 [0,1,0,0,0,0|3,0,0]=4 873 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100000188618 [0,1,0,0,0,0|1,0,0]=2 874 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100000188618 [0,1,0,0,0,0|1,0,0]=2 875 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100000188618 [0,1,0,0,0,0|1,0,0]=2 876 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100000188618 [0,1,0,0,0,0|1,0,0]=2 877 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100000188618 [0,1,0,0,0,0|2,0,0]=3 878 B15R1.882 Cc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100000188618 [0,1,0,0,0,0|2,0,0]=3 879 B15R1.882 Cc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100000188618 [0,1,0,0,0,0|2,0,0]=3 880 B15R1.882 Cc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100000188618 [0,1,0,0,0,0|2,0,0]=3 881 B15R1.882 Cc1ccc(cc1)C(=O)NN=CC(C)C 4a_100000189790_100000210432 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.882 Cc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100000188618 [0,1,0,0,0,0|2,0,0]=3 883 B15R1.882 Cc1ccc(cc1)C(=O)NNCC(C)O 22a_200000730056_100000188618 [0,1,0,0,0,0|3,0,0]=4 884 B15R1.882 Cc1ccc(cc1)C(C)NCCC(C)C 269862a_100000210545_100000185793 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.882 Cc1ccc(cc1)C(C)OCCC(C)Br 34a_100009893172_100011261388 [0,1,0,0,0,0|2,0,1]=4 886 B15R1.882 Cc1ccc(cc1)C(C)OCCC(C)C 34a_100000210254_100011261388 [0,1,0,0,0,0|1,0,1]=3 887 B15R1.882 Cc1ccc(cc1)C(C)OCCC(C)C 7a_100000210254_100011261388 [0,1,0,0,0,0|1,0,1]=3 888 B15R1.882 Cc1ccc(cc1)C(C)OCC[C@@H](C)N 34a_100000706166_100011261388 [0,1,0,0,0,0|2,0,1]=4 889 B15R1.882 Cc1ccc(cc1)C(C)SCCC(C)C 62a_100000210312_100011261388 [0,1,0,0,0,0|1,1,1]=4 890 B15R1.882 Cc1ccc(cc1)C(C)SCCC(C)C 62a_100011261388_100000210312 [0,1,0,0,0,0|1,1,1]=4 891 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 2230a_100000219977_100011214892 [0,1,0,0,0,0|3,0,0]=4 892 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 269982a_100000219977_100011214892 [0,1,0,0,0,0|3,0,0]=4 893 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 34a_100000219977_100011214892 [0,1,0,0,0,0|3,0,0]=4 894 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 2230a_100016988085_100000210312 [0,1,0,0,0,0|2,0,1]=4 895 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 269862a_100016988085_100000185833 [0,1,0,0,0,0|2,0,1]=4 896 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 34a_100016988085_100000210312 [0,1,0,0,0,0|2,0,1]=4 897 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)C 34a_100000690690_100000210312 [0,1,0,0,0,0|1,0,1]=3 898 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)C 7a_100000690690_100000210626 [0,1,0,0,0,0|1,0,1]=3 899 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)O 34a_100000690690_100012276601 [0,1,0,0,0,0|2,0,1]=4 900 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)O 7a_100000690690_100012276601 [0,1,0,0,0,0|2,0,1]=4 901 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCN(C)C 7a_100000690690_100000755713 [0,1,0,0,0,0|2,0,1]=4 902 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCOC(C)C 34a_100000690690_100000709892 [0,1,0,0,0,0|2,0,1]=4 903 B15R1.882 Cc1ccc(cn1)C(=O)CSCC(C)C 62a_100000210624_100012027583 [0,1,0,0,0,0|3,0,0]=4 904 B15R1.882 Cc1ccc(cn1)C(=O)CSCC(C)C 62a_100012027583_100000210760 [0,1,0,0,0,0|3,0,0]=4 905 B15R1.882 Cc1ccc(cn1)C(C)OCCC(C)C 34a_200011815720_100000210312 [0,1,0,0,0,0|2,0,1]=4 906 B15R1.882 Cc1ccc(cn1)C(C)OCCC(C)C 7a_200011815720_100000210626 [0,1,0,0,0,0|2,0,1]=4 907 B15R1.882 [13CH3]C(=O)CCNC(=O)c1ccc(cc1)Br 1458a_100000184271_200025704644 [0,1,0,0,0,0|2,0,1]=4 908 B15R1.882 [13CH3]C(=O)CCNC(=O)c1ccc(cc1)Cl 1458a_100000184362_200025704644 [0,1,0,0,0,0|2,0,1]=4 909 B15R1.882 [13CH3]C(=O)CCNC(=O)c1ccc(cc1)F 1458a_100000195280_200025704644 [0,1,0,0,0,0|2,0,1]=4 910 B15R1.882 [2H]C(OCCC(C)C)c1ccc(cc1)F 34a_217856618577_100000210312 [0,1,0,0,0,0|1,0,1]=3 911 B15R1.882 [2H]C(OCCC(C)C)c1ccc(cc1)F 7a_217856618577_100000210626 [0,1,0,0,0,0|1,0,1]=3 912 B15R1.882 [2H]C(OCCC(C)O)c1ccc(cc1)F 34a_217856618577_100012276601 [0,1,0,0,0,0|2,0,1]=4 913 B15R1.882 [2H]C(OCCC(C)O)c1ccc(cc1)F 7a_217856618577_100012276601 [0,1,0,0,0,0|2,0,1]=4 914 B15R1.882 [2H]C(OCCN(C)C)c1ccc(cc1)F 7a_217856618577_100000755713 [0,1,0,0,0,0|2,0,1]=4 915 B15R1.882 [2H]C(OCOC(C)C)c1ccc(cc1)F 34a_217856618577_100000709892 [0,1,0,0,0,0|2,0,1]=4 916 B15R1.959 C#CC(=O)CCOC(=O)c1ccccc1 1458a_100000211873_100000184176 [0,1,0,0,0,0|1,0,2]=4 917 B15R1.959 C#CC(C)NCCC(=O)c1ccccc1 2230a_100000707721_100000750707 [0,1,0,0,0,0|2,0,1]=4 918 B15R1.959 C#CC(C)SCCC(=O)c1ccccc1 62a_200000035995_100000750707 [0,1,0,0,0,0|2,0,1]=4 919 B15R1.959 C#CC(C)SCOC(=O)c1ccccc1 62a_200000035995_100000073877 [0,1,0,0,0,0|1,0,1]=3 920 B15R1.959 C#C[C@@H](C)OCCC(=O)c1ccccc1 7a_100009815206_100000750707 [0,1,0,0,0,0|2,0,1]=4 921 B15R1.959 C#C[C@@H](C)OCOC(=O)c1ccccc1 7a_100009815206_100000073877 [0,1,0,0,0,0|1,0,1]=3 922 B15R1.959 C=CC(=O)CCOC(=O)c1ccccc1 1458a_100000185746_100000184176 [0,1,0,0,0,0|1,0,2]=4 923 B15R1.959 C=CC(C)COCC(=O)c1ccccc1 7a_100011215527_100000211460 [0,1,0,0,0,0|2,0,1]=4 924 B15R1.959 C=CC(C)SCCC(=O)c1ccccc1 62a_100011215867_100000750707 [0,1,0,0,0,0|2,0,1]=4 925 B15R1.959 C=CC(C)SCOC(=O)c1ccccc1 62a_100011215867_100000073877 [0,1,0,0,0,0|1,0,1]=3 926 B15R1.959 CC(C#N)CNNC(=O)c1ccccc1 22a_100000045663_100000185807 [0,1,0,0,0,0|2,0,1]=4 927 B15R1.959 CC(C#N)NCCC(=O)c1ccccc1 2230a_100000737613_100000750707 [0,1,0,0,0,0|2,0,1]=4 928 B15R1.959 CC(C#N)SCCC(=O)c1ccccc1 62a_100000703298_100000750707 [0,1,0,0,0,0|2,0,1]=4 929 B15R1.959 CC(C#N)SCCC(=O)c1ccccc1 62a_100000750707_100000703298 [0,1,0,0,0,0|2,0,1]=4 930 B15R1.959 CC(C#N)SCOC(=O)c1ccccc1 62a_100000073877_100000703298 [0,1,0,0,0,0|1,0,1]=3 931 B15R1.959 CC(C#N)SCOC(=O)c1ccccc1 62a_100000703298_100000073877 [0,1,0,0,0,0|1,0,1]=3 932 B15R1.959 CC(CF)OCCC(=O)c1ccccc1 7a_100016041109_100000750707 [0,1,0,0,0,0|2,0,0]=3 933 B15R1.959 CC(CF)OCCS(=O)c1ccccc1 7a_100016041109_100000740319 [0,1,0,0,0,0|3,0,0]=4 934 B15R1.959 CC(CF)OCOC(=O)c1ccccc1 7a_100016041109_100000073877 [0,1,0,0,0,0|1,0,0]=2 935 B15R1.959 CC(CN)COCC(=O)c1ccccn1 34a_100000744482_100000027445 [0,1,0,0,0,0|3,0,0]=4 936 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 240690a_106354213184_100000185807 [0,1,0,0,0,0|1,0,0]=2 937 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 527a_106354213184_100000185807 [0,1,0,0,0,0|1,0,0]=2 938 B15R1.959 CC(CO)CCNC(C)c1ccccc1 2230a_106354213184_100000230085 [0,1,0,0,0,0|2,0,1]=4 939 B15R1.959 CC(CO)CCNC(C)c1ccccc1 269862a_106354213184_100000185851 [0,1,0,0,0,0|2,0,1]=4 940 B15R1.959 CC(CO)CCNC(C)c1ccccc1 34a_106354213184_100000211855 [0,1,0,0,0,0|2,0,1]=4 941 B15R1.959 CC(CO)CNCC(=O)c1ccccn1 34a_100000744482_100000027445 [0,1,0,0,0,0|3,0,0]=4 942 B15R1.959 CC(CO)SCCC(=O)c1ccccc1 62a_100012180447_100000750707 [0,1,0,0,0,0|2,0,0]=3 943 B15R1.959 CC(CO)SCCS(=O)c1ccccc1 62a_100012180447_100000740319 [0,1,0,0,0,0|3,0,0]=4 944 B15R1.959 CC(CO)SCOC(=O)c1ccccc1 62a_100012180447_100000073877 [0,1,0,0,0,0|1,0,0]=2 945 B15R1.959 CCC(=O)CCCC(=O)c1ccccc1 1458a_100000210414_100000211006 [0,1,0,0,0,0|2,0,1]=4 946 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210202 [0,1,0,0,0,0|2,0,1]=4 947 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000210414_200011215302 [0,1,0,0,0,0|2,0,1]=4 948 B15R1.959 CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210414_100000184176 [0,1,0,0,0,0|1,0,1]=3 949 B15R1.959 CCC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000243153 [0,1,0,0,0,0|2,0,1]=4 950 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 11a_100020591266_100000185807 [0,1,0,0,0,0|1,0,0]=2 951 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 1626a_100020591266_100000185807 [0,1,0,0,0,0|1,0,0]=2 952 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 240690a_100020591266_100000185807 [0,1,0,0,0,0|1,0,0]=2 953 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 527a_100020591266_100000185807 [0,1,0,0,0,0|1,0,0]=2 954 B15R1.959 CCC(C)CCNC(C)c1ccccc1 2230a_100020591266_100000230085 [0,1,0,0,0,0|2,0,1]=4 955 B15R1.959 CCC(C)CCNC(C)c1ccccc1 269862a_100020591266_100000185851 [0,1,0,0,0,0|2,0,1]=4 956 B15R1.959 CCC(C)CCOC(C)c1ccccc1 7a_100011215188_100000230085 [0,1,0,0,0,0|1,0,1]=3 957 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000748023 [0,1,0,0,0,0|2,0,0]=3 958 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000748023_100000211460 [0,1,0,0,0,0|2,0,0]=3 959 B15R1.959 CCC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000748023 [0,1,0,0,0,0|3,0,0]=4 960 B15R1.959 CCC(C)CSCC(=O)c1ccccn1 62a_100000748023_100000027445 [0,1,0,0,0,0|3,0,0]=4 961 B15R1.959 CCC(C)CSCC(=O)c1cccnc1 62a_100000748023_100000757877 [0,1,0,0,0,0|3,0,0]=4 962 B15R1.959 CCC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000748023 [0,1,0,0,0,0|3,0,0]=4 963 B15R1.959 CCC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000748023 [0,1,0,0,0,0|3,0,0]=4 964 B15R1.959 CCC(C)CSCC(=O)c1ccncc1 62a_100000748023_100000027454 [0,1,0,0,0,0|3,0,0]=4 965 B15R1.959 CCC(C)CSCS(=O)c1ccccc1 62a_100000748023_100000031784 [0,1,0,0,0,0|3,0,0]=4 966 B15R1.959 CCC(C)NCCC(=O)c1ccccc1 2230a_100000209981_100000750707 [0,1,0,0,0,0|2,0,0]=3 967 B15R1.959 CCC(C)NCCS(=O)c1ccccc1 2230a_100000209981_100000740319 [0,1,0,0,0,0|3,0,0]=4 968 B15R1.959 CCC(C)OCCC(=O)c1ccccc1 7a_100000210228_100000750707 [0,1,0,0,0,0|2,0,0]=3 969 B15R1.959 CCC(C)OCCS(=O)c1ccccc1 7a_100000210228_100000740319 [0,1,0,0,0,0|3,0,0]=4 970 B15R1.959 CCC(C)OCOC(=O)c1ccccc1 7a_100000210228_100000073877 [0,1,0,0,0,0|1,0,0]=2 971 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000758301 [0,1,0,0,0,0|2,0,0]=3 972 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000758301_100000750707 [0,1,0,0,0,0|2,0,0]=3 973 B15R1.959 CCC(C)SCCS(=O)c1ccccc1 62a_100000758301_100000740319 [0,1,0,0,0,0|3,0,0]=4 974 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000758301 [0,1,0,0,0,0|1,0,0]=2 975 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000758301_100000073877 [0,1,0,0,0,0|1,0,0]=2 976 B15R1.959 CCC(O)CNNC(=O)c1ccccc1 22a_100015206393_100000185807 [0,1,0,0,0,0|3,0,0]=4 977 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218378 [0,1,0,0,0,0|3,0,0]=4 978 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100011218378_100000211460 [0,1,0,0,0,0|3,0,0]=4 979 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100015186262 [0,1,0,0,0,0|2,0,0]=3 980 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 2230a_100000225621_100000211006 [0,1,0,0,0,0|2,0,0]=3 981 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 269982a_100000225621_100000211006 [0,1,0,0,0,0|2,0,0]=3 982 B15R1.959 CCN(C)CCNC(=O)c1ccccc1 269982a_100000225621_200011215302 [0,1,0,0,0,0|2,0,0]=3 983 B15R1.959 CCN(C)CCOC(=O)c1ccccc1 269982a_100000225621_100009812718 [0,1,0,0,0,0|1,0,0]=2 984 B15R1.959 CC[C@H](C)COCC(=O)c1ccccc1 7a_100009816381_100000211460 [0,1,0,0,0,0|2,0,0]=3 985 B15R1.959 CC[C@H](C)COCC(=O)c1ccccn1 7a_100009816381_100000027445 [0,1,0,0,0,0|3,0,0]=4 986 B15R1.959 CC[C@H](C)COCC(=O)c1ccncc1 7a_100009816381_100015248511 [0,1,0,0,0,0|3,0,0]=4 987 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100000211460_100009816398 [0,1,0,0,0,0|2,0,0]=3 988 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100009816398_100000211460 [0,1,0,0,0,0|2,0,0]=3 989 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccn1 62a_100000027445_100009816398 [0,1,0,0,0,0|3,0,0]=4 990 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccn1 62a_100009816398_100000027445 [0,1,0,0,0,0|3,0,0]=4 991 B15R1.959 CC[C@H](C)CSCC(=O)c1cccnc1 62a_100000757877_100009816398 [0,1,0,0,0,0|3,0,0]=4 992 B15R1.959 CC[C@H](C)CSCC(=O)c1cccnc1 62a_100009816398_100000757877 [0,1,0,0,0,0|3,0,0]=4 993 B15R1.959 CC[C@H](C)CSCC(=O)c1ccncc1 62a_100000027454_100009816398 [0,1,0,0,0,0|3,0,0]=4 994 B15R1.959 CC[C@H](C)CSCC(=O)c1ccncc1 62a_100009816398_100000027454 [0,1,0,0,0,0|3,0,0]=4 995 B15R1.959 CC[C@H](C)CSCS(=O)c1ccccc1 62a_100009816398_100000031784 [0,1,0,0,0,0|3,0,0]=4 996 B15R1.959 CNC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100000741757 [0,1,0,0,0,0|2,0,1]=4 997 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 11a_100000738227_100000185807 [0,1,0,0,0,0|2,0,1]=4 998 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 11a_106832991635_100000182757 [0,1,0,0,0,0|2,0,1]=4 999 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 1626a_100102657272_100000182757 [0,1,0,0,0,0|2,0,1]=4 1000 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 240690a_100000738227_100000185807 [0,1,0,0,0,0|2,0,1]=4 1001 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 240690a_100102657272_100000182757 [0,1,0,0,0,0|2,0,1]=4 1002 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 527a_100000738227_100000185807 [0,1,0,0,0,0|2,0,1]=4 1003 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 527a_100102657272_100000182757 [0,1,0,0,0,0|2,0,1]=4 1004 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011218270 [0,1,0,0,0,0|2,0,1]=4 1005 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 188690a_100000683876_100000185807 [0,1,0,0,0,0|2,0,1]=4 1006 B15R1.959 COC(C)CCOC(C)c1ccccc1 7a_100000764861_100000230085 [0,1,0,0,0,0|1,0,1]=3 1007 B15R1.959 COC(C)COCC(=O)c1ccccn1 34a_100000690652_100000027445 [0,1,0,0,0,0|3,0,0]=4 1008 B15R1.959 COC(C)SCCC(=O)c1ccccc1 62a_100000750707_100009879195 [0,1,0,0,0,0|2,0,0]=3 1009 B15R1.959 COC(C)SCCC(=O)c1ccccc1 62a_100009879195_100000750707 [0,1,0,0,0,0|2,0,0]=3 1010 B15R1.959 COC(C)SCCS(=O)c1ccccc1 62a_100009879195_100000740319 [0,1,0,0,0,0|3,0,0]=4 1011 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100000073877_100009879195 [0,1,0,0,0,0|1,0,0]=2 1012 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100009879195_100000073877 [0,1,0,0,0,0|1,0,0]=2 1013 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccc1 62a_100000059175_100000211460 [0,1,0,0,0,0|2,0,0]=3 1014 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccc1 62a_100000211460_100000059175 [0,1,0,0,0,0|2,0,0]=3 1015 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccn1 62a_100000027445_100000059175 [0,1,0,0,0,0|3,0,0]=4 1016 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccn1 62a_100000059175_100000027445 [0,1,0,0,0,0|3,0,0]=4 1017 B15R1.959 C[C@@H](CO)CSCC(=O)c1cccnc1 62a_100000059175_100000757877 [0,1,0,0,0,0|3,0,0]=4 1018 B15R1.959 C[C@@H](CO)CSCC(=O)c1cccnc1 62a_100000757877_100000059175 [0,1,0,0,0,0|3,0,0]=4 1019 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccncc1 62a_100000027454_100000059175 [0,1,0,0,0,0|3,0,0]=4 1020 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccncc1 62a_100000059175_100000027454 [0,1,0,0,0,0|3,0,0]=4 1021 B15R1.959 C[C@@H](CO)CSCS(=O)c1ccccc1 62a_100000059175_100000031784 [0,1,0,0,0,0|3,0,0]=4 1022 B15R1.959 C[C@H](CO)NCCC(=O)c1ccccc1 2230a_100000737577_100000750707 [0,1,0,0,0,0|2,0,0]=3 1023 B15R1.959 C[C@H](CO)NCCS(=O)c1ccccc1 2230a_100000737577_100000740319 [0,1,0,0,0,0|3,0,0]=4 1024 B15R1.959 C[C@H](CO)SCCC(=O)c1ccccc1 62a_100000750707_100016084084 [0,1,0,0,0,0|2,0,0]=3 1025 B15R1.959 C[C@H](CO)SCCC(=O)c1ccccc1 62a_100016084084_100000750707 [0,1,0,0,0,0|2,0,0]=3 1026 B15R1.959 C[C@H](CO)SCCS(=O)c1ccccc1 62a_100016084084_100000740319 [0,1,0,0,0,0|3,0,0]=4 1027 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100000073877_100016084084 [0,1,0,0,0,0|1,0,0]=2 1028 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100016084084_100000073877 [0,1,0,0,0,0|1,0,0]=2 1029 B15R1.959 N#CC(F)SCOC(=O)c1ccccc1 62a_100000073877_200000117898 [0,1,0,0,0,0|2,0,1]=4 1030 B15R1.959 N#CC(F)SCOC(=O)c1ccccc1 62a_200000117898_100000073877 [0,1,0,0,0,0|2,0,1]=4 1031 B15R1.959 O=C(CF)CCNC(=O)c1ccccc1 1458a_100000182757_100015361967 [0,1,0,0,0,0|2,0,1]=4 1032 B15R1.959 O=C(CO)CCCC(=O)c1ccccc1 1458a_100000210174_100000211006 [0,1,0,0,0,0|2,0,1]=4 1033 B15R1.959 O=C(CO)CCNC(=O)c1ccccc1 1458a_100000210174_200011215302 [0,1,0,0,0,0|2,0,1]=4 1034 B15R1.959 O=C(CO)CCOC(=O)c1ccccc1 1458a_100000210174_100000184176 [0,1,0,0,0,0|1,0,1]=3 1035 B15R1.959 O=C(CSCC(O)CO)c1ccccc1 62a_100000211460_100011219619 [0,1,0,0,0,0|3,0,0]=4 1036 B15R1.959 O=C(CSCC(O)CO)c1ccccc1 62a_100011219619_100000211460 [0,1,0,0,0,0|3,0,0]=4 1037 B15R1.959 O=C(CSC[C@@H](O)CF)c1ccccc1 62a_100000211460_100015614560 [0,1,0,0,0,0|3,0,0]=4 1038 B15R1.959 O=C(CSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000211460 [0,1,0,0,0,0|3,0,0]=4 1039 B15R1.959 O=C(CSC[C@@H](O)CO)c1ccccc1 62a_100000211460_100009815848 [0,1,0,0,0,0|3,0,0]=4 1040 B15R1.959 O=C(CSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000211460 [0,1,0,0,0,0|3,0,0]=4 1041 B15R1.1076 CC(=CC(=O)CC(C)C)c1ccccc1 1458a_100000743005_100000210624 [0,1,0,0,0,0|2,0,1]=4 1042 B15R1.1076 CC(=O)CC(C)NC(=O)c1ccccc1 1458a_100000195627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1043 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000210554_100000211460 [0,1,0,0,0,0|1,0,1]=3 1044 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccn1 1458a_100000210554_100000027445 [0,1,0,0,0,0|2,0,1]=4 1045 B15R1.1076 CC(C)CC(=O)CC(=O)c1cccnc1 1458a_100000210554_100015188593 [0,1,0,0,0,0|2,0,1]=4 1046 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccncc1 1458a_100000210554_100000027454 [0,1,0,0,0,0|2,0,1]=4 1047 B15R1.1076 CC(C)CC(C)NC(=O)c1ccccc1 11a_100000692259_100000185807 [0,1,0,0,0,0|1,0,0]=2 1048 B15R1.1076 CC(C)CC(C)NC(=O)c1ccccc1 1626a_100000692259_100000185807 [0,1,0,0,0,0|1,0,0]=2 1049 B15R1.1076 CC(C)CC(C)NC(=O)c1ccccc1 240690a_100000692259_100000185807 [0,1,0,0,0,0|1,0,0]=2 1050 B15R1.1076 CC(C)CC(C)NC(=O)c1ccccc1 527a_100000692259_100000185807 [0,1,0,0,0,0|1,0,0]=2 1051 B15R1.1076 CC(C)CC(C)NC(C)c1ccccc1 2230a_100000692259_100000230085 [0,1,0,0,0,0|2,0,1]=4 1052 B15R1.1076 CC(C)CC(C)NC(C)c1ccccc1 269862a_100000692259_100000185851 [0,1,0,0,0,0|2,0,1]=4 1053 B15R1.1076 CC(C)CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000731052 [0,1,0,0,0,0|2,0,1]=4 1054 B15R1.1076 CC(C)CC(C)OC(C)c1ccccc1 34a_100000211805_100000211855 [0,1,0,0,0,0|1,0,1]=3 1055 B15R1.1076 CC(C)CC(C)OC(C)c1ccccc1 7a_100000211805_100000230085 [0,1,0,0,0,0|1,0,1]=3 1056 B15R1.1076 CC(C)CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000731052 [0,1,0,0,0,0|1,0,1]=3 1057 B15R1.1076 CC(C)CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000731052 [0,1,0,0,0,0|1,0,1]=3 1058 B15R1.1076 CC(C)CC(C)SC(C)c1ccccc1 62a_100000230085_100000731052 [0,1,0,0,0,0|1,1,1]=4 1059 B15R1.1076 CC(C)CC(C)SC(C)c1ccccc1 62a_100000731052_100000230085 [0,1,0,0,0,0|1,1,1]=4 1060 B15R1.1076 CC(C)CN(C)CC(=O)c1ccccc1 269982a_100000747067_100000211460 [0,1,0,0,0,0|2,0,0]=3 1061 B15R1.1076 CC(C)CN(C)CC(=O)c1ccccn1 269982a_100000747067_100000027445 [0,1,0,0,0,0|3,0,0]=4 1062 B15R1.1076 CC(C)CN(C)CC(=O)c1cccnc1 269982a_100000747067_100000757877 [0,1,0,0,0,0|3,0,0]=4 1063 B15R1.1076 CC(C)CN(C)CC(=O)c1ccncc1 269982a_100000747067_100000027454 [0,1,0,0,0,0|3,0,0]=4 1064 B15R1.1076 CC(C)CN(C)CS(=O)c1ccccc1 269982a_100000747067_100000031784 [0,1,0,0,0,0|3,0,0]=4 1065 B15R1.1076 CC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183996 [0,1,0,0,0,0|2,0,1]=4 1066 B15R1.1076 CC(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100011215430 [0,1,0,0,0,0|2,0,1]=4 1067 B15R1.1076 CC(CC(=O)[13CH3])NC(=O)c1ccccc1 1458a_100000195627_200025704644 [0,1,0,0,0,0|2,0,1]=4 1068 B15R1.1076 CC(CN(C)C)NC(=O)c1ccccc1 11a_100016992788_100000185807 [0,1,0,0,0,0|2,0,0]=3 1069 B15R1.1076 CC(CN(C)C)NC(=O)c1ccccc1 240690a_100016992788_100000185807 [0,1,0,0,0,0|2,0,0]=3 1070 B15R1.1076 CC(CN(C)C)NC(=O)c1ccccc1 527a_100016992788_100000185807 [0,1,0,0,0,0|2,0,0]=3 1071 B15R1.1076 CC(O)CN(C)CC(=O)c1ccccc1 269982a_100000227577_100000211460 [0,1,0,0,0,0|3,0,0]=4 1072 B15R1.1076 CN(C)CC(=O)CC(=O)c1ccccc1 1458a_100000750896_100000211460 [0,1,0,0,0,0|2,0,1]=4 1073 B15R1.1076 CN(C)CC(=O)NC(=O)c1ccccc1 269982a_100102631434_100000010347 [0,1,0,0,0,0|2,0,1]=4 1074 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccccc1 1458a_100011933948_100000211460 [0,1,0,0,0,0|2,0,1]=4 1075 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1ccccc1 1458a_200159257847_100000211460 [0,1,0,0,0,0|2,0,1]=4 1076 B15R1.1078 C=C(C(=O)CCC(C)C)c1ccccc1 1458a_100000065200_100000210312 [0,1,0,0,0,0|2,0,0]=3 1077 B15R1.1078 C=C(C(=O)CCC(C)O)c1ccccc1 1458a_100000065200_100012276601 [0,1,0,0,0,0|3,0,0]=4 1078 B15R1.1078 C=C(C(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000065200 [0,1,0,0,0,0|3,0,0]=4 1079 B15R1.1078 CC(C)CCC(=O)C(C)c1ccccc1 1458a_100000181311_100000230085 [0,1,0,0,0,0|2,0,1]=4 1080 B15R1.1078 CC(C)CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210312 [0,1,0,0,0,0|2,0,1]=4 1081 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 11a_100000210012_100000181311 [0,1,0,0,0,0|3,0,0]=4 1082 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000181311 [0,1,0,0,0,0|3,0,0]=4 1083 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 22a_100000210012_100000181311 [0,1,0,0,0,0|3,0,0]=4 1084 B15R1.1078 CC(C)CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210312 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.1078 CC(C)CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210312 [0,1,0,0,0,0|1,0,2]=4 1086 B15R1.1078 CC(C)CCC(C)C(=O)c1ccccc1 1458a_100000185807_100011261404 [0,1,0,0,0,0|1,0,0]=2 1087 B15R1.1078 CC(C)CCC(C)N(C)c1ccccc1 2230a_100000210012_100011261404 [0,1,0,0,0,0|3,0,0]=4 1088 B15R1.1078 CC(C)CCC(C)N(C)c1ccccc1 269982a_100000210012_100011261404 [0,1,0,0,0,0|3,0,0]=4 1089 B15R1.1078 CC(C)CCC(C)N(C)c1ccccc1 34a_100000210012_100011261404 [0,1,0,0,0,0|3,0,0]=4 1090 B15R1.1078 CC(C)CCN(C)C(=O)c1ccccc1 11a_100000742789_100000185807 [0,1,0,0,0,0|1,0,0]=2 1091 B15R1.1078 CC(C)CCN(C)C(=O)c1ccccc1 1626a_100000742789_100000185807 [0,1,0,0,0,0|1,0,0]=2 1092 B15R1.1078 CC(C)CCN(C)C(=O)c1ccccc1 240690a_100000742789_100000185807 [0,1,0,0,0,0|1,0,0]=2 1093 B15R1.1078 CC(C)CCN(C)C(=O)c1ccccc1 527a_100000742789_100000185807 [0,1,0,0,0,0|1,0,0]=2 1094 B15R1.1078 CC(C)CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210312 [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.1078 CC(C)CCN(C)C(C)c1ccccc1 2230a_100000742789_100000230085 [0,1,0,0,0,0|2,0,1]=4 1096 B15R1.1078 CC(C)CCN(C)C(C)c1ccccc1 269982a_100000195388_100000210312 [0,1,0,0,0,0|2,0,1]=4 1097 B15R1.1078 CC(C)CCN(C)C(C)c1ccccc1 269982a_100000742789_100000230085 [0,1,0,0,0,0|2,0,1]=4 1098 B15R1.1078 CC(C)CNC(C)C(=O)c1ccccc1 2230a_100000210953_100000239700 [0,1,0,0,0,0|2,0,0]=3 1099 B15R1.1078 CC(C)CSC(C)C(=O)c1ccccc1 62a_100000210624_100000239700 [0,1,0,0,0,0|2,0,0]=3 1100 B15R1.1078 CC(C)CSC(C)C(=O)c1ccccc1 62a_100000239700_100000210760 [0,1,0,0,0,0|2,0,0]=3 1101 B15R1.1078 CC(O)CNC(C)C(=O)c1ccccc1 2230a_100000210904_100000239700 [0,1,0,0,0,0|3,0,0]=4 1102 B15R1.1078 CC(O)CSC(C)C(=O)c1ccccc1 62a_100000239700_100011218427 [0,1,0,0,0,0|3,0,0]=4 1103 B15R1.1078 CC(O)CSC(C)C(=O)c1ccccc1 62a_100011218427_100000239700 [0,1,0,0,0,0|3,0,0]=4 1104 B15R1.1078 CC(SC[C@@H](C)O)C(=O)c1ccccc1 62a_100000239700_100009817552 [0,1,0,0,0,0|3,0,0]=4 1105 B15R1.1078 CC(SC[C@@H](C)O)C(=O)c1ccccc1 62a_100009817552_100000239700 [0,1,0,0,0,0|3,0,0]=4 1106 B15R1.1078 CN(C)CCN(C)C(=O)c1ccccc1 2230a_200011982063_200000210301 [0,1,0,0,0,0|2,0,0]=3 1107 B15R1.1078 CN(C)CCN(C)C(=O)c1ccccc1 240690a_100000225618_100000185807 [0,1,0,0,0,0|2,0,0]=3 1108 B15R1.1078 CN(C)CCN(C)C(=O)c1ccccc1 269982a_200011982063_200000210301 [0,1,0,0,0,0|2,0,0]=3 1109 B15R1.1078 CN(C)CCN(C)C(=O)c1ccccc1 527a_100000225618_100000185807 [0,1,0,0,0,0|2,0,0]=3 1110 B15R1.1078 CN([13CH3])CCN(C)C(=O)c1ccccc1 2230a_200011982063_200025704644 [0,1,0,0,0,0|2,0,0]=3 1111 B15R1.1078 CN([13CH3])CCN(C)C(=O)c1ccccc1 269982a_200011982063_200025704644 [0,1,0,0,0,0|2,0,0]=3 1112 B15R1.5331 C#CC(OCCC(C)C)c1ccccc1 34a_100011219616_100000210312 [0,1,0,0,0,0|1,0,1]=3 1113 B15R1.5331 C#CC(OCCC(C)C)c1ccccc1 7a_100011219616_100000210626 [0,1,0,0,0,0|1,0,1]=3 1114 B15R1.5331 C#CC(OCCC(C)O)c1ccccc1 34a_100011219616_100012276601 [0,1,0,0,0,0|2,0,1]=4 1115 B15R1.5331 C#CC(OCCC(C)O)c1ccccc1 7a_100011219616_100012276601 [0,1,0,0,0,0|2,0,1]=4 1116 B15R1.5331 C#CC(OCCN(C)C)c1ccccc1 7a_100011219616_100000755713 [0,1,0,0,0,0|2,0,1]=4 1117 B15R1.5331 C#CC(OCOC(C)C)c1ccccc1 34a_100011219616_100000709892 [0,1,0,0,0,0|2,0,1]=4 1118 B15R1.5331 C=CC(OCCC(C)C)c1ccccc1 34a_100011215659_100000210312 [0,1,0,0,0,0|1,0,1]=3 1119 B15R1.5331 C=CC(OCCC(C)C)c1ccccc1 7a_100011215659_100000210626 [0,1,0,0,0,0|1,0,1]=3 1120 B15R1.5331 C=CC(OCCC(C)O)c1ccccc1 34a_100011215659_100012276601 [0,1,0,0,0,0|2,0,1]=4 1121 B15R1.5331 C=CC(OCCC(C)O)c1ccccc1 7a_100011215659_100012276601 [0,1,0,0,0,0|2,0,1]=4 1122 B15R1.5331 C=CC(OCCN(C)C)c1ccccc1 7a_100011215659_100000755713 [0,1,0,0,0,0|2,0,1]=4 1123 B15R1.5331 C=CC(OCOC(C)C)c1ccccc1 34a_100011215659_100000709892 [0,1,0,0,0,0|2,0,1]=4 1124 B15R1.5331 C=CC(SCCC(C)C)c1ccccc1 62a_100000210312_200000085779 [0,1,0,0,0,0|1,1,1]=4 1125 B15R1.5331 C=CC(SCCC(C)C)c1ccccc1 62a_200000085779_100000210312 [0,1,0,0,0,0|1,1,1]=4 1126 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210312 [0,1,0,0,0,0|1,0,2]=4 1127 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 269862a_100000751927_100000185833 [0,1,0,0,0,0|1,0,2]=4 1128 B15R1.5331 CC(C)CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210312 [0,1,0,0,0,0|1,0,2]=4 1129 B15R1.5331 CC(C)CCOC(C#N)c1ccccc1 7a_100011217353_100000210626 [0,1,0,0,0,0|1,0,1]=3 1130 B15R1.5331 CC(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000210626 [0,1,0,0,0,0|1,0,1]=3 1131 B15R1.5331 CC(C)CCOC(CN)c1ccccc1 34a_100000210709_100000210312 [0,1,0,0,0,0|1,0,1]=3 1132 B15R1.5331 CC(C)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210312 [0,1,0,0,0,0|1,0,1]=3 1133 B15R1.5331 CC(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210626 [0,1,0,0,0,0|1,0,1]=3 1134 B15R1.5331 CC(C)OCOC(CN)c1ccccc1 34a_100000210709_100000709892 [0,1,0,0,0,0|2,0,1]=4 1135 B15R1.5331 CC(C)OCO[C@H](CCl)c1ccccc1 34a_100011933945_100000709892 [0,1,0,0,0,0|2,0,1]=4 1136 B15R1.5331 CC(O)CCOC(C#N)c1ccccc1 7a_100011217353_100012276601 [0,1,0,0,0,0|2,0,1]=4 1137 B15R1.5331 CC(O)CCOC(CBr)c1ccccc1 7a_100000185958_100012276601 [0,1,0,0,0,0|2,0,1]=4 1138 B15R1.5331 CC(O)CCOC(CN)c1ccccc1 34a_100000210709_100012276601 [0,1,0,0,0,0|2,0,1]=4 1139 B15R1.5331 CC(O)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100012276601 [0,1,0,0,0,0|2,0,1]=4 1140 B15R1.5331 CC(O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100012276601 [0,1,0,0,0,0|2,0,1]=4 1141 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 2230a_100000737752_100000210312 [0,1,0,0,0,0|2,0,1]=4 1142 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 269862a_100000210545_100000210124 [0,1,0,0,0,0|2,0,1]=4 1143 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 269862a_100000737752_100000185833 [0,1,0,0,0,0|2,0,1]=4 1144 B15R1.5331 CCC(OCCC(C)C)c1ccccc1 34a_100000698172_100000210312 [0,1,0,0,0,0|1,0,1]=3 1145 B15R1.5331 CCC(OCCC(C)C)c1ccccc1 7a_100000698172_100000210626 [0,1,0,0,0,0|1,0,1]=3 1146 B15R1.5331 CCC(OCCC(C)O)c1ccccc1 34a_100000698172_100012276601 [0,1,0,0,0,0|2,0,1]=4 1147 B15R1.5331 CCC(OCCC(C)O)c1ccccc1 7a_100000698172_100012276601 [0,1,0,0,0,0|2,0,1]=4 1148 B15R1.5331 CCC(OCCN(C)C)c1ccccc1 7a_100000698172_100000755713 [0,1,0,0,0,0|2,0,1]=4 1149 B15R1.5331 CCC(OCOC(C)C)c1ccccc1 34a_100000698172_100000709892 [0,1,0,0,0,0|2,0,1]=4 1150 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 2230a_100000210013_100011214892 [0,1,0,0,0,0|3,0,0]=4 1151 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 269982a_100000210013_100011214892 [0,1,0,0,0,0|3,0,0]=4 1152 B15R1.5331 CCN(CCCC(C)C)c1ccccc1 34a_100000210013_100011214892 [0,1,0,0,0,0|3,0,0]=4 1153 B15R1.5331 CN(C)CCOC(C#N)c1ccccc1 7a_100011217353_100000755713 [0,1,0,0,0,0|2,0,1]=4 1154 B15R1.5331 CN(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000755713 [0,1,0,0,0,0|2,0,1]=4 1155 B15R1.5331 CN(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000755713 [0,1,0,0,0,0|2,0,1]=4 1156 B15R1.8019 CC(=CCCC(=O)c1ccccc1Br)C 1458a_100000188424_100011217483 [0,1,0,0,0,0|1,0,2]=4 1157 B15R1.8019 CC(=CCCC(=O)c1ccccc1C)C 1458a_100000212026_100011217483 [0,1,0,0,0,0|1,0,2]=4 1158 B15R1.8019 CC(=CCCC(=O)c1ccccc1Cl)C 1458a_100000185844_100011217483 [0,1,0,0,0,0|1,0,2]=4 1159 B15R1.8019 CC(=CCCC(=O)c1ccccc1F)C 1458a_100000188656_100011217483 [0,1,0,0,0,0|1,0,2]=4 1160 B15R1.8019 CC(=CCCC(=O)c1ccccc1I)C 1458a_100000187884_100011217483 [0,1,0,0,0,0|1,0,2]=4 1161 B15R1.8019 CC(=CCCC(=O)c1ccccc1O)C 1458a_100015234032_100011217483 [0,1,0,0,0,0|1,0,2]=4 1162 B15R1.8019 CC(=CCCC(=O)c1ccccc1[O-])C 1458a_100009911694_100011217483 [0,1,0,0,0,0|1,0,2]=4 1163 B15R1.8019 CC(=CCNC(=O)c1ccccc1Br)C 11a_100000718196_100000188424 [0,1,0,0,0,0|1,0,2]=4 1164 B15R1.8019 CC(=CCNC(=O)c1ccccc1Br)C 1626a_100000718196_100000188424 [0,1,0,0,0,0|1,0,2]=4 1165 B15R1.8019 CC(=CCNC(=O)c1ccccc1Br)C 527a_100000718196_100000188424 [0,1,0,0,0,0|1,0,2]=4 1166 B15R1.8019 CC(=CCNC(=O)c1ccccc1C)C 11a_100000718196_100000212026 [0,1,0,0,0,0|1,0,2]=4 1167 B15R1.8019 CC(=CCNC(=O)c1ccccc1C)C 1626a_100000718196_100000212026 [0,1,0,0,0,0|1,0,2]=4 1168 B15R1.8019 CC(=CCNC(=O)c1ccccc1C)C 527a_100000718196_100000212026 [0,1,0,0,0,0|1,0,2]=4 1169 B15R1.8019 CC(=CCNC(=O)c1ccccc1Cl)C 11a_100000718196_100000185844 [0,1,0,0,0,0|1,0,2]=4 1170 B15R1.8019 CC(=CCNC(=O)c1ccccc1Cl)C 1626a_100000718196_100000185844 [0,1,0,0,0,0|1,0,2]=4 1171 B15R1.8019 CC(=CCNC(=O)c1ccccc1Cl)C 527a_100000718196_100000185844 [0,1,0,0,0,0|1,0,2]=4 1172 B15R1.8019 CC(=CCNC(=O)c1ccccc1F)C 11a_100000718196_100000188656 [0,1,0,0,0,0|1,0,2]=4 1173 B15R1.8019 CC(=CCNC(=O)c1ccccc1F)C 1626a_100000718196_100000188656 [0,1,0,0,0,0|1,0,2]=4 1174 B15R1.8019 CC(=CCNC(=O)c1ccccc1F)C 527a_100000718196_100000188656 [0,1,0,0,0,0|1,0,2]=4 1175 B15R1.8019 CC(=CCNC(=O)c1ccccc1I)C 11a_100000718196_100000187884 [0,1,0,0,0,0|1,0,2]=4 1176 B15R1.8019 CC(=CCNC(=O)c1ccccc1I)C 1626a_100000718196_100000187884 [0,1,0,0,0,0|1,0,2]=4 1177 B15R1.8019 CC(=CCNC(=O)c1ccccc1I)C 527a_100000718196_100000187884 [0,1,0,0,0,0|1,0,2]=4 1178 B15R1.8019 CC(=CCNC(=O)c1ccccc1[O-])C 1626a_100000718196_100009911694 [0,1,0,0,0,0|1,0,2]=4 1179 B15R1.8019 CC(=CCNC(=O)c1ccccc1[O-])C 527a_100000718196_100009911694 [0,1,0,0,0,0|1,0,2]=4 1180 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011215641 [0,1,0,0,0,0|2,0,1]=4 1181 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1C 1458a_100000212026_100011215641 [0,1,0,0,0,0|2,0,1]=4 1182 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215641 [0,1,0,0,0,0|2,0,1]=4 1183 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100011215641 [0,1,0,0,0,0|2,0,1]=4 1184 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100011215641 [0,1,0,0,0,0|2,0,1]=4 1185 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100011215641 [0,1,0,0,0,0|2,0,1]=4 1186 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215641 [0,1,0,0,0,0|2,0,1]=4 1187 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1C 1458a_100000195313_200000210301 [0,1,0,0,0,0|2,0,1]=4 1188 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200000210301 [0,1,0,0,0,0|2,0,1]=4 1189 B15R1.8019 CC(Br)CCOC(C)c1ccccc1F 34a_100009893172_200000741388 [0,1,0,0,0,0|2,0,1]=4 1190 B15R1.8019 CC(Br)COCC(=O)c1ccccc1Br 34a_100012180447_100000199116 [0,1,0,0,0,0|3,0,0]=4 1191 B15R1.8019 CC(Br)COCC(=O)c1ccccc1Cl 34a_100012180447_100000211432 [0,1,0,0,0,0|3,0,0]=4 1192 B15R1.8019 CC(Br)COCC(=O)c1ccccc1F 34a_100012180447_100000204681 [0,1,0,0,0,0|3,0,0]=4 1193 B15R1.8019 CC(C)C=NNC(=O)c1ccccc1Br 4a_100000183644_100000210432 [0,1,0,0,0,0|2,0,1]=4 1194 B15R1.8019 CC(C)C=NNC(=O)c1ccccc1Cl 4a_100000186534_100000210432 [0,1,0,0,0,0|2,0,1]=4 1195 B15R1.8019 CC(C)C=NNC(=O)c1ccccc1F 4a_100000183521_100000210432 [0,1,0,0,0,0|2,0,1]=4 1196 B15R1.8019 CC(C)C=NNC(=O)c1ccccc1I 4a_100000190081_100000210432 [0,1,0,0,0,0|2,0,1]=4 1197 B15R1.8019 CC(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011214892 [0,1,0,0,0,0|1,0,0]=2 1198 B15R1.8019 CC(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011214892 [0,1,0,0,0,0|1,0,0]=2 1199 B15R1.8019 CC(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100011214892 [0,1,0,0,0,0|1,0,0]=2 1200 B15R1.8019 CC(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100011214892 [0,1,0,0,0,0|1,0,0]=2 1201 B15R1.8019 CC(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100011214892 [0,1,0,0,0,0|1,0,0]=2 1202 B15R1.8019 CC(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214892 [0,1,0,0,0,0|1,0,0]=2 1203 B15R1.8019 CC(C)CCCN(C)c1ccccc1Br 2230a_100020606079_100011214892 [0,1,0,0,0,0|3,0,0]=4 1204 B15R1.8019 CC(C)CCCN(C)c1ccccc1Br 269982a_100020606079_100011214892 [0,1,0,0,0,0|3,0,0]=4 1205 B15R1.8019 CC(C)CCCN(C)c1ccccc1Br 34a_100020606079_100011214892 [0,1,0,0,0,0|3,0,0]=4 1206 B15R1.8019 CC(C)CCCN(C)c1ccccc1Cl 2230a_100000219374_100011214892 [0,1,0,0,0,0|3,0,0]=4 1207 B15R1.8019 CC(C)CCCN(C)c1ccccc1Cl 269982a_100000219374_100011214892 [0,1,0,0,0,0|3,0,0]=4 1208 B15R1.8019 CC(C)CCCN(C)c1ccccc1Cl 34a_100000219374_100011214892 [0,1,0,0,0,0|3,0,0]=4 1209 B15R1.8019 CC(C)CCCN(C)c1ccccc1F 2230a_100000220357_100011214892 [0,1,0,0,0,0|3,0,0]=4 1210 B15R1.8019 CC(C)CCCN(C)c1ccccc1F 269982a_100000220357_100011214892 [0,1,0,0,0,0|3,0,0]=4 1211 B15R1.8019 CC(C)CCCN(C)c1ccccc1F 34a_100000220357_100011214892 [0,1,0,0,0,0|3,0,0]=4 1212 B15R1.8019 CC(C)CCCN(C)c1ccccc1F 38a_100000220357_100011214892 [0,1,0,0,0,0|3,0,0]=4 1213 B15R1.8019 CC(C)CCCN(C)c1ccccc1O 269982a_100000033821_100011214892 [0,1,0,0,0,0|3,0,0]=4 1214 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Br 11a_100000210545_100000188424 [0,1,0,0,0,0|1,0,0]=2 1215 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Br 1626a_100000210545_100000188424 [0,1,0,0,0,0|1,0,0]=2 1216 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Br 240690a_100000210545_100000188424 [0,1,0,0,0,0|1,0,0]=2 1217 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Br 527a_100000210545_100000188424 [0,1,0,0,0,0|1,0,0]=2 1218 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Cl 11a_100000210545_100000185844 [0,1,0,0,0,0|1,0,0]=2 1219 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Cl 1626a_100000210545_100000185844 [0,1,0,0,0,0|1,0,0]=2 1220 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Cl 240690a_100000210545_100000185844 [0,1,0,0,0,0|1,0,0]=2 1221 B15R1.8019 CC(C)CCNC(=O)c1ccccc1Cl 527a_100000210545_100000185844 [0,1,0,0,0,0|1,0,0]=2 1222 B15R1.8019 CC(C)CCNC(=O)c1ccccc1F 11a_100000210545_100000188656 [0,1,0,0,0,0|1,0,0]=2 1223 B15R1.8019 CC(C)CCNC(=O)c1ccccc1F 1626a_100000210545_100000188656 [0,1,0,0,0,0|1,0,0]=2 1224 B15R1.8019 CC(C)CCNC(=O)c1ccccc1F 240690a_100000210545_100000188656 [0,1,0,0,0,0|1,0,0]=2 1225 B15R1.8019 CC(C)CCNC(=O)c1ccccc1F 527a_100000210545_100000188656 [0,1,0,0,0,0|1,0,0]=2 1226 B15R1.8019 CC(C)CCNC(=O)c1ccccc1I 11a_100000210545_100000187884 [0,1,0,0,0,0|1,0,0]=2 1227 B15R1.8019 CC(C)CCNC(=O)c1ccccc1I 1626a_100000210545_100000187884 [0,1,0,0,0,0|1,0,0]=2 1228 B15R1.8019 CC(C)CCNC(=O)c1ccccc1I 240690a_100000210545_100000187884 [0,1,0,0,0,0|1,0,0]=2 1229 B15R1.8019 CC(C)CCNC(=O)c1ccccc1I 527a_100000210545_100000187884 [0,1,0,0,0,0|1,0,0]=2 1230 B15R1.8019 CC(C)CCNC(=O)c1ccccc1O 240690a_100000210545_100015234032 [0,1,0,0,0,0|1,0,0]=2 1231 B15R1.8019 CC(C)CCNC(=O)c1ccccc1[O-] 1626a_100000210545_100009911694 [0,1,0,0,0,0|1,0,0]=2 1232 B15R1.8019 CC(C)CCNC(=O)c1ccccc1[O-] 240690a_100000210545_100009911694 [0,1,0,0,0,0|1,0,0]=2 1233 B15R1.8019 CC(C)CCNC(=O)c1ccccc1[O-] 527a_100000210545_100009911694 [0,1,0,0,0,0|1,0,0]=2 1234 B15R1.8019 CC(C)CCNC(C)c1ccccc1Br 2230a_100000181357_100000210312 [0,1,0,0,0,0|2,0,1]=4 1235 B15R1.8019 CC(C)CCNC(C)c1ccccc1Br 269862a_100000181357_100000185833 [0,1,0,0,0,0|2,0,1]=4 1236 B15R1.8019 CC(C)CCNC(C)c1ccccc1Br 269862a_100000210545_100000187085 [0,1,0,0,0,0|2,0,1]=4 1237 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210312 [0,1,0,0,0,0|2,0,1]=4 1238 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 269862a_100000174978_100000185833 [0,1,0,0,0,0|2,0,1]=4 1239 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 269862a_100000210545_100000210134 [0,1,0,0,0,0|2,0,1]=4 1240 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 34a_100000174978_100000210312 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.8019 CC(C)CCNC(C)c1ccccc1F 2230a_100000181408_100000210312 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.8019 CC(C)CCNC(C)c1ccccc1F 269862a_100000181408_100000185833 [0,1,0,0,0,0|2,0,1]=4 1243 B15R1.8019 CC(C)CCNC(C)c1ccccc1F 269862a_100000210545_100000210632 [0,1,0,0,0,0|2,0,1]=4 1244 B15R1.8019 CC(C)CCNC(C)c1ccccc1F 34a_100000181408_100000210312 [0,1,0,0,0,0|2,0,1]=4 1245 B15R1.8019 CC(C)CCNC(C)c1ccccc1I 269862a_100000210545_100000751169 [0,1,0,0,0,0|2,0,1]=4 1246 B15R1.8019 CC(C)CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210312 [0,1,0,0,0,0|2,0,1]=4 1247 B15R1.8019 CC(C)CCN[C@H](C)c1ccccc1O 269862a_100025703389_100000185833 [0,1,0,0,0,0|2,0,1]=4 1248 B15R1.8019 CC(C)CCOC(C)c1ccccc1Br 34a_100000702211_100000210312 [0,1,0,0,0,0|1,0,1]=3 1249 B15R1.8019 CC(C)CCOC(C)c1ccccc1Br 7a_100000702211_100000210626 [0,1,0,0,0,0|1,0,1]=3 1250 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 34a_100000740796_100000210312 [0,1,0,0,0,0|1,0,1]=3 1251 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 7a_100000210254_100000181259 [0,1,0,0,0,0|1,0,1]=3 1252 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 7a_100000740796_100000210626 [0,1,0,0,0,0|1,0,1]=3 1253 B15R1.8019 CC(C)CCOC(C)c1ccccc1F 34a_100000210254_200000741388 [0,1,0,0,0,0|1,0,1]=3 1254 B15R1.8019 CC(C)CCOC(C)c1ccccc1F 34a_100000697922_100000210312 [0,1,0,0,0,0|1,0,1]=3 1255 B15R1.8019 CC(C)CCOC(C)c1ccccc1F 7a_100000210254_200000741388 [0,1,0,0,0,0|1,0,1]=3 1256 B15R1.8019 CC(C)CCOC(C)c1ccccc1F 7a_100000697922_100000210626 [0,1,0,0,0,0|1,0,1]=3 1257 B15R1.8019 CC(C)CCOC(C)c1ccccc1N 7a_100011405641_100000210626 [0,1,0,0,0,0|1,0,1]=3 1258 B15R1.8019 CC(C)CCOC(C)c1cccnc1Cl 34a_100009865335_100000210312 [0,1,0,0,0,0|2,0,1]=4 1259 B15R1.8019 CC(C)CCOC(C)c1cccnc1Cl 7a_100009865335_100000210626 [0,1,0,0,0,0|2,0,1]=4 1260 B15R1.8019 CC(C)CCOC(C)c1ccncc1F 34a_100012180158_100000210312 [0,1,0,0,0,0|2,0,1]=4 1261 B15R1.8019 CC(C)CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210626 [0,1,0,0,0,0|2,0,1]=4 1262 B15R1.8019 CC(C)CCSC(C)c1ccccc1Cl 62a_100000181259_100000210312 [0,1,0,0,0,0|1,1,1]=4 1263 B15R1.8019 CC(C)CCSC(C)c1ccccc1Cl 62a_100000210312_100000181259 [0,1,0,0,0,0|1,1,1]=4 1264 B15R1.8019 CC(C)CCSC(C)c1ccccc1F 62a_100000210312_200000741388 [0,1,0,0,0,0|1,1,1]=4 1265 B15R1.8019 CC(C)CCSC(C)c1ccccc1F 62a_200000741388_100000210312 [0,1,0,0,0,0|1,1,1]=4 1266 B15R1.8019 CC(C)CNCC(=O)c1ccccc1Br 34a_100000210953_100000199116 [0,1,0,0,0,0|2,0,0]=3 1267 B15R1.8019 CC(C)CNCC(=O)c1ccccc1Cl 34a_100000210953_100000211432 [0,1,0,0,0,0|2,0,0]=3 1268 B15R1.8019 CC(C)CNCC(=O)c1ccccc1F 34a_100000210953_100000204681 [0,1,0,0,0,0|2,0,0]=3 1269 B15R1.8019 CC(C)CNNC(=O)c1ccccc1Br 22a_100000696102_100000188424 [0,1,0,0,0,0|2,0,0]=3 1270 B15R1.8019 CC(C)CNNC(=O)c1ccccc1Cl 22a_100000696102_100000185844 [0,1,0,0,0,0|2,0,0]=3 1271 B15R1.8019 CC(C)CNNC(=O)c1ccccc1F 22a_100000696102_100000188656 [0,1,0,0,0,0|2,0,0]=3 1272 B15R1.8019 CC(C)CNNC(=O)c1ccccc1I 22a_100000696102_100000187884 [0,1,0,0,0,0|2,0,0]=3 1273 B15R1.8019 CC(C)CNNC(=O)c1ccccc1O 22a_100000696102_100015234032 [0,1,0,0,0,0|2,0,0]=3 1274 B15R1.8019 CC(C)CNNC(=O)c1ccccc1[O-] 22a_100000696102_100009911694 [0,1,0,0,0,0|2,0,0]=3 1275 B15R1.8019 CC(C)COCC(=O)c1ccccc1Br 34a_100000210257_100000199116 [0,1,0,0,0,0|2,0,0]=3 1276 B15R1.8019 CC(C)COCC(=O)c1ccccc1Cl 34a_100000210257_100000211432 [0,1,0,0,0,0|2,0,0]=3 1277 B15R1.8019 CC(C)COCC(=O)c1ccccc1F 34a_100000210257_100000204681 [0,1,0,0,0,0|2,0,0]=3 1278 B15R1.8019 CC(C)CSCC(=O)c1ccccc1Br 62a_100000199116_100000210760 [0,1,0,0,0,0|2,0,0]=3 1279 B15R1.8019 CC(C)CSCC(=O)c1ccccc1Cl 62a_100000210624_100000211432 [0,1,0,0,0,0|2,0,0]=3 1280 B15R1.8019 CC(C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100000210760 [0,1,0,0,0,0|2,0,0]=3 1281 B15R1.8019 CC(C)CSCC(=O)c1ccccc1F 62a_100000204681_100000210760 [0,1,0,0,0,0|2,0,0]=3 1282 B15R1.8019 CC(C)CSCC(=O)c1ccccc1F 62a_100000210624_100000204681 [0,1,0,0,0,0|2,0,0]=3 1283 B15R1.8019 CC(C)CSCC(=O)c1ccccc1O 62a_100000188908_100000210760 [0,1,0,0,0,0|2,0,0]=3 1284 B15R1.8019 CC(C)CSCC(=O)c1ccccc1O 62a_100000210624_100000188908 [0,1,0,0,0,0|2,0,0]=3 1285 B15R1.8019 CC(C)NCCC(=O)c1ccccc1F 2230a_100138425928_100000086012 [0,1,0,0,0,0|2,0,0]=3 1286 B15R1.8019 CC(C)OCCC(=O)c1ccccc1Br 1458a_100000188424_100000211751 [0,1,0,0,0,0|2,0,0]=3 1287 B15R1.8019 CC(C)OCCC(=O)c1ccccc1Cl 1458a_100000185844_100000211751 [0,1,0,0,0,0|2,0,0]=3 1288 B15R1.8019 CC(C)OCCC(=O)c1ccccc1F 1458a_100000188656_100000211751 [0,1,0,0,0,0|2,0,0]=3 1289 B15R1.8019 CC(C)OCCC(=O)c1ccccc1I 1458a_100000187884_100000211751 [0,1,0,0,0,0|2,0,0]=3 1290 B15R1.8019 CC(C)OCCC(=O)c1ccccc1O 1458a_100015234032_100000211751 [0,1,0,0,0,0|2,0,0]=3 1291 B15R1.8019 CC(C)OCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000211751 [0,1,0,0,0,0|2,0,0]=3 1292 B15R1.8019 CC(C)OCOC(C)c1ccccc1Br 34a_100000702211_100000709892 [0,1,0,0,0,0|2,0,1]=4 1293 B15R1.8019 CC(C)OCOC(C)c1ccccc1Cl 34a_100000740796_100000709892 [0,1,0,0,0,0|2,0,1]=4 1294 B15R1.8019 CC(C)OCOC(C)c1ccccc1F 34a_100000697922_100000709892 [0,1,0,0,0,0|2,0,1]=4 1295 B15R1.8019 CC(C)SCCC(=O)c1ccccc1Br 1458a_100000188424_100000730970 [0,1,0,0,0,0|2,0,0]=3 1296 B15R1.8019 CC(C)SCCC(=O)c1ccccc1Cl 1458a_100000185844_100000730970 [0,1,0,0,0,0|2,0,0]=3 1297 B15R1.8019 CC(C)SCCC(=O)c1ccccc1F 1458a_100000188656_100000730970 [0,1,0,0,0,0|2,0,0]=3 1298 B15R1.8019 CC(C)SCCC(=O)c1ccccc1F 62a_100000086012_100000210206 [0,1,0,0,0,0|2,0,0]=3 1299 B15R1.8019 CC(C)SCCC(=O)c1ccccc1F 62a_100000210206_100000086012 [0,1,0,0,0,0|2,0,0]=3 1300 B15R1.8019 CC(C)SCCC(=O)c1ccccc1I 1458a_100000187884_100000730970 [0,1,0,0,0,0|2,0,0]=3 1301 B15R1.8019 CC(C)SCCC(=O)c1ccccc1O 1458a_100015234032_100000730970 [0,1,0,0,0,0|2,0,0]=3 1302 B15R1.8019 CC(C)SCCC(=O)c1ccccc1O 62a_100000210206_100009873196 [0,1,0,0,0,0|2,0,0]=3 1303 B15R1.8019 CC(C)SCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000730970 [0,1,0,0,0,0|2,0,0]=3 1304 B15R1.8019 CC(F)COCC(=O)c1ccccc1Br 34a_100015925927_100000199116 [0,1,0,0,0,0|3,0,0]=4 1305 B15R1.8019 CC(F)COCC(=O)c1ccccc1Cl 34a_100015925927_100000211432 [0,1,0,0,0,0|3,0,0]=4 1306 B15R1.8019 CC(F)COCC(=O)c1ccccc1F 34a_100015925927_100000204681 [0,1,0,0,0,0|3,0,0]=4 1307 B15R1.8019 CC(O)CCCC(=O)c1ccccc1Br 1458a_100000188424_200000718107 [0,1,0,0,0,0|2,0,0]=3 1308 B15R1.8019 CC(O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_200000718107 [0,1,0,0,0,0|2,0,0]=3 1309 B15R1.8019 CC(O)CCCC(=O)c1ccccc1F 1458a_100000188656_200000718107 [0,1,0,0,0,0|2,0,0]=3 1310 B15R1.8019 CC(O)CCCC(=O)c1ccccc1I 1458a_100000187884_200000718107 [0,1,0,0,0,0|2,0,0]=3 1311 B15R1.8019 CC(O)CCCC(=O)c1ccccc1O 1458a_100015234032_200000718107 [0,1,0,0,0,0|2,0,0]=3 1312 B15R1.8019 CC(O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_200000718107 [0,1,0,0,0,0|2,0,0]=3 1313 B15R1.8019 CC(O)CCNC(=O)c1ccccc1Br 240690a_200000755665_100000188424 [0,1,0,0,0,0|2,0,0]=3 1314 B15R1.8019 CC(O)CCNC(=O)c1ccccc1Br 527a_200000755665_100000188424 [0,1,0,0,0,0|2,0,0]=3 1315 B15R1.8019 CC(O)CCNC(=O)c1ccccc1Cl 240690a_200000755665_100000185844 [0,1,0,0,0,0|2,0,0]=3 1316 B15R1.8019 CC(O)CCNC(=O)c1ccccc1Cl 527a_200000755665_100000185844 [0,1,0,0,0,0|2,0,0]=3 1317 B15R1.8019 CC(O)CCNC(=O)c1ccccc1F 240690a_200000755665_100000188656 [0,1,0,0,0,0|2,0,0]=3 1318 B15R1.8019 CC(O)CCNC(=O)c1ccccc1F 527a_200000755665_100000188656 [0,1,0,0,0,0|2,0,0]=3 1319 B15R1.8019 CC(O)CCNC(=O)c1ccccc1I 240690a_200000755665_100000187884 [0,1,0,0,0,0|2,0,0]=3 1320 B15R1.8019 CC(O)CCNC(=O)c1ccccc1I 527a_200000755665_100000187884 [0,1,0,0,0,0|2,0,0]=3 1321 B15R1.8019 CC(O)CCNC(=O)c1ccccc1O 240690a_200000755665_100015234032 [0,1,0,0,0,0|2,0,0]=3 1322 B15R1.8019 CC(O)CCNC(=O)c1ccccc1[O-] 240690a_200000755665_100009911694 [0,1,0,0,0,0|2,0,0]=3 1323 B15R1.8019 CC(O)CCNC(=O)c1ccccc1[O-] 527a_200000755665_100009911694 [0,1,0,0,0,0|2,0,0]=3 1324 B15R1.8019 CC(O)CCOC(C)c1ccccc1Br 34a_100000702211_100012276601 [0,1,0,0,0,0|2,0,1]=4 1325 B15R1.8019 CC(O)CCOC(C)c1ccccc1Br 7a_100000702211_100012276601 [0,1,0,0,0,0|2,0,1]=4 1326 B15R1.8019 CC(O)CCOC(C)c1ccccc1Cl 34a_100000740796_100012276601 [0,1,0,0,0,0|2,0,1]=4 1327 B15R1.8019 CC(O)CCOC(C)c1ccccc1Cl 7a_100000740796_100012276601 [0,1,0,0,0,0|2,0,1]=4 1328 B15R1.8019 CC(O)CCOC(C)c1ccccc1F 34a_100000697922_100012276601 [0,1,0,0,0,0|2,0,1]=4 1329 B15R1.8019 CC(O)CCOC(C)c1ccccc1F 7a_100000697922_100012276601 [0,1,0,0,0,0|2,0,1]=4 1330 B15R1.8019 CC(O)CCOC(C)c1ccccc1N 7a_100011405641_100012276601 [0,1,0,0,0,0|2,0,1]=4 1331 B15R1.8019 CC(O)CNCC(=O)c1ccccc1Br 34a_100000210904_100000199116 [0,1,0,0,0,0|3,0,0]=4 1332 B15R1.8019 CC(O)CNCC(=O)c1ccccc1Cl 34a_100000210904_100000211432 [0,1,0,0,0,0|3,0,0]=4 1333 B15R1.8019 CC(O)CNCC(=O)c1ccccc1F 34a_100000210904_100000204681 [0,1,0,0,0,0|3,0,0]=4 1334 B15R1.8019 CC(O)CNNC(=O)c1ccccc1Br 22a_200000730056_100000188424 [0,1,0,0,0,0|3,0,0]=4 1335 B15R1.8019 CC(O)CNNC(=O)c1ccccc1Cl 22a_200000730056_100000185844 [0,1,0,0,0,0|3,0,0]=4 1336 B15R1.8019 CC(O)CNNC(=O)c1ccccc1F 22a_200000730056_100000188656 [0,1,0,0,0,0|3,0,0]=4 1337 B15R1.8019 CC(O)CNNC(=O)c1ccccc1I 22a_200000730056_100000187884 [0,1,0,0,0,0|3,0,0]=4 1338 B15R1.8019 CC(O)CNNC(=O)c1ccccc1O 22a_200000730056_100015234032 [0,1,0,0,0,0|3,0,0]=4 1339 B15R1.8019 CC(O)CNNC(=O)c1ccccc1[O-] 22a_200000730056_100009911694 [0,1,0,0,0,0|3,0,0]=4 1340 B15R1.8019 CC(O)CSCC(=O)c1ccccc1Br 62a_100000199116_100011218427 [0,1,0,0,0,0|3,0,0]=4 1341 B15R1.8019 CC(O)CSCC(=O)c1ccccc1Cl 62a_100000211432_100011218427 [0,1,0,0,0,0|3,0,0]=4 1342 B15R1.8019 CC(O)CSCC(=O)c1ccccc1Cl 62a_100011218427_100000211432 [0,1,0,0,0,0|3,0,0]=4 1343 B15R1.8019 CC(O)CSCC(=O)c1ccccc1F 62a_100000204681_100011218427 [0,1,0,0,0,0|3,0,0]=4 1344 B15R1.8019 CC(O)CSCC(=O)c1ccccc1F 62a_100011218427_100000204681 [0,1,0,0,0,0|3,0,0]=4 1345 B15R1.8019 CC(O)CSCC(=O)c1ccccc1O 62a_100000188908_100011218427 [0,1,0,0,0,0|3,0,0]=4 1346 B15R1.8019 CC(O)CSCC(=O)c1ccccc1O 62a_100011218427_100000188908 [0,1,0,0,0,0|3,0,0]=4 1347 B15R1.8019 CC(OCCN(C)C)c1ccccc1Br 7a_100000702211_100000755713 [0,1,0,0,0,0|2,0,1]=4 1348 B15R1.8019 CC(OCCN(C)C)c1ccccc1Cl 7a_100000740796_100000755713 [0,1,0,0,0,0|2,0,1]=4 1349 B15R1.8019 CC(OCCN(C)C)c1ccccc1F 7a_100000697922_100000755713 [0,1,0,0,0,0|2,0,1]=4 1350 B15R1.8019 CC(OCCN(C)C)c1ccccc1N 7a_100011405641_100000755713 [0,1,0,0,0,0|2,0,1]=4 1351 B15R1.8019 CC(OCC[C@@H](C)N)c1ccccc1F 34a_100000706166_200000741388 [0,1,0,0,0,0|2,0,1]=4 1352 B15R1.8019 CN(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100000695564 [0,1,0,0,0,0|2,0,0]=3 1353 B15R1.8019 CN(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000695564 [0,1,0,0,0,0|2,0,0]=3 1354 B15R1.8019 CN(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100000695564 [0,1,0,0,0,0|2,0,0]=3 1355 B15R1.8019 CN(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100000695564 [0,1,0,0,0,0|2,0,0]=3 1356 B15R1.8019 CN(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100000695564 [0,1,0,0,0,0|2,0,0]=3 1357 B15R1.8019 CN(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000695564 [0,1,0,0,0,0|2,0,0]=3 1358 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Br 240690a_100000210585_100000188424 [0,1,0,0,0,0|2,0,0]=3 1359 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Br 527a_100000210585_100000188424 [0,1,0,0,0,0|2,0,0]=3 1360 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Cl 240690a_100000210585_100000185844 [0,1,0,0,0,0|2,0,0]=3 1361 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Cl 527a_100000210585_100000185844 [0,1,0,0,0,0|2,0,0]=3 1362 B15R1.8019 CN(C)CCNC(=O)c1ccccc1F 240690a_100000210585_100000188656 [0,1,0,0,0,0|2,0,0]=3 1363 B15R1.8019 CN(C)CCNC(=O)c1ccccc1F 527a_100000210585_100000188656 [0,1,0,0,0,0|2,0,0]=3 1364 B15R1.8019 CN(C)CCNC(=O)c1ccccc1I 240690a_100000210585_100000187884 [0,1,0,0,0,0|2,0,0]=3 1365 B15R1.8019 CN(C)CCNC(=O)c1ccccc1I 527a_100000210585_100000187884 [0,1,0,0,0,0|2,0,0]=3 1366 B15R1.8019 CN(C)CCNC(=O)c1ccccc1O 240690a_100000210585_100015234032 [0,1,0,0,0,0|2,0,0]=3 1367 B15R1.8019 CN(C)CCNC(=O)c1ccccc1[O-] 240690a_100000210585_100009911694 [0,1,0,0,0,0|2,0,0]=3 1368 B15R1.8019 CN(C)CCNC(=O)c1ccccc1[O-] 527a_100000210585_100009911694 [0,1,0,0,0,0|2,0,0]=3 1369 B15R1.8019 C[C@@H](Cl)COCC(=O)c1ccccc1Br 34a_100016084084_100000199116 [0,1,0,0,0,0|3,0,0]=4 1370 B15R1.8019 C[C@@H](Cl)COCC(=O)c1ccccc1Cl 34a_100016084084_100000211432 [0,1,0,0,0,0|3,0,0]=4 1371 B15R1.8019 C[C@@H](Cl)COCC(=O)c1ccccc1F 34a_100016084084_100000204681 [0,1,0,0,0,0|3,0,0]=4 1372 B15R1.8019 C[C@@H](N)COCC(=O)c1ccccc1Br 34a_100000737577_100000199116 [0,1,0,0,0,0|3,0,0]=4 1373 B15R1.8019 C[C@@H](N)COCC(=O)c1ccccc1Cl 34a_100000737577_100000211432 [0,1,0,0,0,0|3,0,0]=4 1374 B15R1.8019 C[C@@H](N)COCC(=O)c1ccccc1F 34a_100000737577_100000204681 [0,1,0,0,0,0|3,0,0]=4 1375 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1Br 62a_100000199116_100009817552 [0,1,0,0,0,0|3,0,0]=4 1376 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1Cl 62a_100000211432_100009817552 [0,1,0,0,0,0|3,0,0]=4 1377 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1Cl 62a_100009817552_100000211432 [0,1,0,0,0,0|3,0,0]=4 1378 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1F 62a_100000204681_100009817552 [0,1,0,0,0,0|3,0,0]=4 1379 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1F 62a_100009817552_100000204681 [0,1,0,0,0,0|3,0,0]=4 1380 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1O 62a_100000188908_100009817552 [0,1,0,0,0,0|3,0,0]=4 1381 B15R1.8019 C[C@@H](O)CSCC(=O)c1ccccc1O 62a_100009817552_100000188908 [0,1,0,0,0,0|3,0,0]=4 1382 B15R1.8019 Cc1ccccc1C(=O)CCCC(C)C 1458a_100000212026_100011214892 [0,1,0,0,0,0|1,0,0]=2 1383 B15R1.8019 Cc1ccccc1C(=O)CCCC(C)O 1458a_100000212026_200000718107 [0,1,0,0,0,0|2,0,0]=3 1384 B15R1.8019 Cc1ccccc1C(=O)CCCN(C)C 1458a_100000212026_100000695564 [0,1,0,0,0,0|2,0,0]=3 1385 B15R1.8019 Cc1ccccc1C(=O)CCOC(C)C 1458a_100000212026_100000211751 [0,1,0,0,0,0|2,0,0]=3 1386 B15R1.8019 Cc1ccccc1C(=O)CCSC(C)C 1458a_100000212026_100000730970 [0,1,0,0,0,0|2,0,0]=3 1387 B15R1.8019 Cc1ccccc1C(=O)CNCC(C)C 2230a_100000210953_100000741374 [0,1,0,0,0,0|2,0,0]=3 1388 B15R1.8019 Cc1ccccc1C(=O)CNCC(C)C 34a_100000210953_100000741374 [0,1,0,0,0,0|2,0,0]=3 1389 B15R1.8019 Cc1ccccc1C(=O)CNCC(C)O 2230a_100000210904_100000741374 [0,1,0,0,0,0|3,0,0]=4 1390 B15R1.8019 Cc1ccccc1C(=O)CNCC(C)O 34a_100000210904_100000741374 [0,1,0,0,0,0|3,0,0]=4 1391 B15R1.8019 Cc1ccccc1C(=O)COCC(C)Br 34a_100012180447_100000741374 [0,1,0,0,0,0|3,0,0]=4 1392 B15R1.8019 Cc1ccccc1C(=O)COCC(C)C 34a_100000210257_100000741374 [0,1,0,0,0,0|2,0,0]=3 1393 B15R1.8019 Cc1ccccc1C(=O)COCC(C)F 34a_100015925927_100000741374 [0,1,0,0,0,0|3,0,0]=4 1394 B15R1.8019 Cc1ccccc1C(=O)COC[C@@H](C)Cl 34a_100016084084_100000741374 [0,1,0,0,0,0|3,0,0]=4 1395 B15R1.8019 Cc1ccccc1C(=O)COC[C@@H](C)N 34a_100000737577_100000741374 [0,1,0,0,0,0|3,0,0]=4 1396 B15R1.8019 Cc1ccccc1C(=O)CSCC(C)C 62a_100000210624_100000741374 [0,1,0,0,0,0|2,0,0]=3 1397 B15R1.8019 Cc1ccccc1C(=O)CSCC(C)C 62a_100000741374_100000210760 [0,1,0,0,0,0|2,0,0]=3 1398 B15R1.8019 Cc1ccccc1C(=O)CSCC(C)O 62a_100000741374_100011218427 [0,1,0,0,0,0|3,0,0]=4 1399 B15R1.8019 Cc1ccccc1C(=O)CSCC(C)O 62a_100011218427_100000741374 [0,1,0,0,0,0|3,0,0]=4 1400 B15R1.8019 Cc1ccccc1C(=O)CSC[C@@H](C)O 62a_100000741374_100009817552 [0,1,0,0,0,0|3,0,0]=4 1401 B15R1.8019 Cc1ccccc1C(=O)CSC[C@@H](C)O 62a_100009817552_100000741374 [0,1,0,0,0,0|3,0,0]=4 1402 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)[13CH3] 1458a_100000195313_200025704644 [0,1,0,0,0,0|2,0,1]=4 1403 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)C 11a_100000210545_100000212026 [0,1,0,0,0,0|1,0,0]=2 1404 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100000212026 [0,1,0,0,0,0|1,0,0]=2 1405 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)C 240690a_100000210545_100000212026 [0,1,0,0,0,0|1,0,0]=2 1406 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)C 527a_100000210545_100000212026 [0,1,0,0,0,0|1,0,0]=2 1407 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)O 240690a_200000755665_100000212026 [0,1,0,0,0,0|2,0,0]=3 1408 B15R1.8019 Cc1ccccc1C(=O)NCCC(C)O 527a_200000755665_100000212026 [0,1,0,0,0,0|2,0,0]=3 1409 B15R1.8019 Cc1ccccc1C(=O)NCCN(C)C 240690a_100000210585_100000212026 [0,1,0,0,0,0|2,0,0]=3 1410 B15R1.8019 Cc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100000212026 [0,1,0,0,0,0|2,0,0]=3 1411 B15R1.8019 Cc1ccccc1C(=O)NN=CC(C)C 4a_100000181371_100000210432 [0,1,0,0,0,0|2,0,1]=4 1412 B15R1.8019 Cc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100000212026 [0,1,0,0,0,0|2,0,0]=3 1413 B15R1.8019 Cc1ccccc1C(=O)NNCC(C)O 22a_200000730056_100000212026 [0,1,0,0,0,0|3,0,0]=4 1414 B15R1.8019 Cc1ccccc1C(C)NCCC(C)C 2230a_100000181355_100000210312 [0,1,0,0,0,0|2,0,1]=4 1415 B15R1.8019 Cc1ccccc1C(C)NCCC(C)C 269862a_100000181355_100000185833 [0,1,0,0,0,0|2,0,1]=4 1416 B15R1.8019 Cc1ccccc1C(C)NCCC(C)C 269862a_100000210545_100000211656 [0,1,0,0,0,0|2,0,1]=4 1417 B15R1.8019 Cc1ccccc1C(C)NCCC(C)C 34a_100000181355_100000210312 [0,1,0,0,0,0|2,0,1]=4 1418 B15R1.8019 Cc1ccccc1C(C)OCCC(C)C 34a_100000742021_100000210312 [0,1,0,0,0,0|1,0,1]=3 1419 B15R1.8019 Cc1ccccc1C(C)OCCC(C)C 7a_100000742021_100000210626 [0,1,0,0,0,0|1,0,1]=3 1420 B15R1.8019 Cc1ccccc1C(C)OCCC(C)O 34a_100000742021_100012276601 [0,1,0,0,0,0|2,0,1]=4 1421 B15R1.8019 Cc1ccccc1C(C)OCCC(C)O 7a_100000742021_100012276601 [0,1,0,0,0,0|2,0,1]=4 1422 B15R1.8019 Cc1ccccc1C(C)OCCN(C)C 7a_100000742021_100000755713 [0,1,0,0,0,0|2,0,1]=4 1423 B15R1.8019 Cc1ccccc1C(C)OCOC(C)C 34a_100000742021_100000709892 [0,1,0,0,0,0|2,0,1]=4 1424 B15R1.8019 Cc1ccccc1N(C)CCCC(C)C 2230a_100000219699_100011214892 [0,1,0,0,0,0|3,0,0]=4 1425 B15R1.8019 Cc1ccccc1N(C)CCCC(C)C 269982a_100000219699_100011214892 [0,1,0,0,0,0|3,0,0]=4 1426 B15R1.8019 Cc1ccccc1N(C)CCCC(C)C 34a_100000219699_100011214892 [0,1,0,0,0,0|3,0,0]=4 1427 B15R1.8019 [13CH3]C(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200025704644 [0,1,0,0,0,0|2,0,1]=4 1428 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)Br)C 1458a_100000210664_100011217483 [0,1,0,0,0,0|1,0,2]=4 1429 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)C)C 1458a_100000189346_100011217483 [0,1,0,0,0,0|1,0,2]=4 1430 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)Cl)C 1458a_100000210390_100011217483 [0,1,0,0,0,0|1,0,2]=4 1431 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)F)C 1458a_100000210950_100011217483 [0,1,0,0,0,0|1,0,2]=4 1432 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)I)C 1458a_100000184098_100011217483 [0,1,0,0,0,0|1,0,2]=4 1433 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)O)C 1458a_100000183914_100011217483 [0,1,0,0,0,0|1,0,2]=4 1434 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Br)C 11a_100000718196_100000210664 [0,1,0,0,0,0|1,0,2]=4 1435 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Br)C 1626a_100000718196_100000210664 [0,1,0,0,0,0|1,0,2]=4 1436 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Br)C 527a_100000718196_100000210664 [0,1,0,0,0,0|1,0,2]=4 1437 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)C)C 11a_100000718196_100000189346 [0,1,0,0,0,0|1,0,2]=4 1438 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)C)C 1626a_100000718196_100000189346 [0,1,0,0,0,0|1,0,2]=4 1439 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)C)C 527a_100000718196_100000189346 [0,1,0,0,0,0|1,0,2]=4 1440 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Cl)C 11a_100000718196_100000210390 [0,1,0,0,0,0|1,0,2]=4 1441 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Cl)C 1626a_100000718196_100000210390 [0,1,0,0,0,0|1,0,2]=4 1442 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)Cl)C 527a_100000718196_100000210390 [0,1,0,0,0,0|1,0,2]=4 1443 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)F)C 11a_100000718196_100000210950 [0,1,0,0,0,0|1,0,2]=4 1444 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)F)C 1626a_100000718196_100000210950 [0,1,0,0,0,0|1,0,2]=4 1445 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)F)C 527a_100000718196_100000210950 [0,1,0,0,0,0|1,0,2]=4 1446 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)I)C 11a_100000718196_100000184098 [0,1,0,0,0,0|1,0,2]=4 1447 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)I)C 1626a_100000718196_100000184098 [0,1,0,0,0,0|1,0,2]=4 1448 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)I)C 527a_100000718196_100000184098 [0,1,0,0,0,0|1,0,2]=4 1449 B15R1.8273 CC(=CCNC(=O)c1cccc(c1)O)C 527a_100000718196_100000183914 [0,1,0,0,0,0|1,0,2]=4 1450 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215641 [0,1,0,0,0,0|2,0,1]=4 1451 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215641 [0,1,0,0,0,0|2,0,1]=4 1452 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215641 [0,1,0,0,0,0|2,0,1]=4 1453 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215641 [0,1,0,0,0,0|2,0,1]=4 1454 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215641 [0,1,0,0,0,0|2,0,1]=4 1455 B15R1.8273 CC(=O)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215641 [0,1,0,0,0,0|2,0,1]=4 1456 B15R1.8273 CC(=O)CCNC(=O)c1cccc(c1)C 1458a_100000184521_200000210301 [0,1,0,0,0,0|2,0,1]=4 1457 B15R1.8273 CC(Br)COCC(=O)c1cccc(c1)Br 34a_100012180447_100000212080 [0,1,0,0,0,0|3,0,0]=4 1458 B15R1.8273 CC(Br)COCC(=O)c1cccc(c1)Cl 34a_100012180447_100000211444 [0,1,0,0,0,0|3,0,0]=4 1459 B15R1.8273 CC(Br)COCC(=O)c1cccc(c1)F 34a_100012180447_100000215616 [0,1,0,0,0,0|3,0,0]=4 1460 B15R1.8273 CC(Br)COCC(=O)c1cccc(c1)O 34a_100012180447_100009813753 [0,1,0,0,0,0|3,0,0]=4 1461 B15R1.8273 CC(C)C=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000210432 [0,1,0,0,0,0|2,0,1]=4 1462 B15R1.8273 CC(C)C=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000210432 [0,1,0,0,0,0|2,0,1]=4 1463 B15R1.8273 CC(C)C=NNC(=O)c1cccc(c1)F 4a_100000189798_100000210432 [0,1,0,0,0,0|2,0,1]=4 1464 B15R1.8273 CC(C)C=NNC(=O)c1cccc(c1)I 4a_100000186306_100000210432 [0,1,0,0,0,0|2,0,1]=4 1465 B15R1.8273 CC(C)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214892 [0,1,0,0,0,0|1,0,0]=2 1466 B15R1.8273 CC(C)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214892 [0,1,0,0,0,0|1,0,0]=2 1467 B15R1.8273 CC(C)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011214892 [0,1,0,0,0,0|1,0,0]=2 1468 B15R1.8273 CC(C)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011214892 [0,1,0,0,0,0|1,0,0]=2 1469 B15R1.8273 CC(C)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011214892 [0,1,0,0,0,0|1,0,0]=2 1470 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Br 2230a_100000219648_100011214892 [0,1,0,0,0,0|3,0,0]=4 1471 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Br 269982a_100000219648_100011214892 [0,1,0,0,0,0|3,0,0]=4 1472 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Br 34a_100000219648_100011214892 [0,1,0,0,0,0|3,0,0]=4 1473 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100011214892 [0,1,0,0,0,0|3,0,0]=4 1474 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100011214892 [0,1,0,0,0,0|3,0,0]=4 1475 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)Cl 34a_100000220044_100011214892 [0,1,0,0,0,0|3,0,0]=4 1476 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)F 2230a_100020633736_100011214892 [0,1,0,0,0,0|3,0,0]=4 1477 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)F 269982a_100020633736_100011214892 [0,1,0,0,0,0|3,0,0]=4 1478 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)F 34a_100020633736_100011214892 [0,1,0,0,0,0|3,0,0]=4 1479 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)I 2230a_100000221217_100011214892 [0,1,0,0,0,0|3,0,0]=4 1480 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)I 269982a_100000221217_100011214892 [0,1,0,0,0,0|3,0,0]=4 1481 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)I 34a_100000221217_100011214892 [0,1,0,0,0,0|3,0,0]=4 1482 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)O 2230a_100000756613_100011214892 [0,1,0,0,0,0|3,0,0]=4 1483 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)O 269982a_100000756613_100011214892 [0,1,0,0,0,0|3,0,0]=4 1484 B15R1.8273 CC(C)CCCN(C)c1cccc(c1)O 34a_100000756613_100011214892 [0,1,0,0,0,0|3,0,0]=4 1485 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Br 11a_100000210545_100000210664 [0,1,0,0,0,0|1,0,0]=2 1486 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Br 1626a_100000210545_100000210664 [0,1,0,0,0,0|1,0,0]=2 1487 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Br 240690a_100000210545_100000210664 [0,1,0,0,0,0|1,0,0]=2 1488 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Br 527a_100000210545_100000210664 [0,1,0,0,0,0|1,0,0]=2 1489 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Cl 11a_100000210545_100000210390 [0,1,0,0,0,0|1,0,0]=2 1490 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Cl 1626a_100000210545_100000210390 [0,1,0,0,0,0|1,0,0]=2 1491 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Cl 240690a_100000210545_100000210390 [0,1,0,0,0,0|1,0,0]=2 1492 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)Cl 527a_100000210545_100000210390 [0,1,0,0,0,0|1,0,0]=2 1493 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)F 11a_100000210545_100000210950 [0,1,0,0,0,0|1,0,0]=2 1494 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)F 1626a_100000210545_100000210950 [0,1,0,0,0,0|1,0,0]=2 1495 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)F 240690a_100000210545_100000210950 [0,1,0,0,0,0|1,0,0]=2 1496 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)F 527a_100000210545_100000210950 [0,1,0,0,0,0|1,0,0]=2 1497 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)I 11a_100000210545_100000184098 [0,1,0,0,0,0|1,0,0]=2 1498 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)I 1626a_100000210545_100000184098 [0,1,0,0,0,0|1,0,0]=2 1499 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)I 240690a_100000210545_100000184098 [0,1,0,0,0,0|1,0,0]=2 1500 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)I 527a_100000210545_100000184098 [0,1,0,0,0,0|1,0,0]=2 1501 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)O 240690a_100000210545_100000183914 [0,1,0,0,0,0|1,0,0]=2 1502 B15R1.8273 CC(C)CCNC(=O)c1cccc(c1)O 527a_100000210545_100000183914 [0,1,0,0,0,0|1,0,0]=2 1503 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210312 [0,1,0,0,0,0|2,0,1]=4 1504 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Br 269862a_100000210545_100000210093 [0,1,0,0,0,0|2,0,1]=4 1505 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Br 269862a_100020642005_100000185833 [0,1,0,0,0,0|2,0,1]=4 1506 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210312 [0,1,0,0,0,0|2,0,1]=4 1507 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Cl 269862a_100000210545_200000210964 [0,1,0,0,0,0|2,0,1]=4 1508 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Cl 269862a_100102723534_100000185833 [0,1,0,0,0,0|2,0,1]=4 1509 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210312 [0,1,0,0,0,0|2,0,1]=4 1510 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)F 269862a_100000210545_100000187083 [0,1,0,0,0,0|2,0,1]=4 1511 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)I 269862a_100000210545_100011356966 [0,1,0,0,0,0|2,0,1]=4 1512 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210312 [0,1,0,0,0,0|2,0,1]=4 1513 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000210545_100000211620 [0,1,0,0,0,0|2,0,1]=4 1514 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000740644_100000185833 [0,1,0,0,0,0|2,0,1]=4 1515 B15R1.8273 CC(C)CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210312 [0,1,0,0,0,0|2,0,1]=4 1516 B15R1.8273 CC(C)CCN[C@H](C)c1cccc(c1)F 269862a_100015193778_100000185833 [0,1,0,0,0,0|2,0,1]=4 1517 B15R1.8273 CC(C)CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210312 [0,1,0,0,0,0|2,0,1]=4 1518 B15R1.8273 CC(C)CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210626 [0,1,0,0,0,0|2,0,1]=4 1519 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210312 [0,1,0,0,0,0|1,0,1]=3 1520 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210626 [0,1,0,0,0,0|1,0,1]=3 1521 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)F 34a_100000744526_100000210312 [0,1,0,0,0,0|1,0,1]=3 1522 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)F 7a_100000744526_100000210626 [0,1,0,0,0,0|1,0,1]=3 1523 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)I 34a_100013085317_100000210312 [0,1,0,0,0,0|1,0,1]=3 1524 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)I 7a_100013085317_100000210626 [0,1,0,0,0,0|1,0,1]=3 1525 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)N 34a_100011217120_100000210312 [0,1,0,0,0,0|1,0,1]=3 1526 B15R1.8273 CC(C)CCOC(C)c1cccc(c1)N 7a_100011217120_100000210626 [0,1,0,0,0,0|1,0,1]=3 1527 B15R1.8273 CC(C)CCOC(C)c1cccc(n1)Br 7a_100009820884_100000210626 [0,1,0,0,0,0|2,0,1]=4 1528 B15R1.8273 CC(C)CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210312 [0,1,0,0,0,0|2,0,1]=4 1529 B15R1.8273 CC(C)CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210626 [0,1,0,0,0,0|2,0,1]=4 1530 B15R1.8273 CC(C)CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210312 [0,1,0,0,0,0|1,0,1]=3 1531 B15R1.8273 CC(C)CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210626 [0,1,0,0,0,0|1,0,1]=3 1532 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)Br 2230a_100000210953_100000212080 [0,1,0,0,0,0|2,0,0]=3 1533 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)Br 34a_100000210953_100000212080 [0,1,0,0,0,0|2,0,0]=3 1534 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)Cl 2230a_100000210953_100000211444 [0,1,0,0,0,0|2,0,0]=3 1535 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)Cl 34a_100000210953_100000211444 [0,1,0,0,0,0|2,0,0]=3 1536 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)F 2230a_100000210953_100000215616 [0,1,0,0,0,0|2,0,0]=3 1537 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)F 34a_100000210953_100000215616 [0,1,0,0,0,0|2,0,0]=3 1538 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)O 34a_100000210953_100009813753 [0,1,0,0,0,0|2,0,0]=3 1539 B15R1.8273 CC(C)CNNC(=O)c1cccc(c1)Br 22a_100000696102_100000210664 [0,1,0,0,0,0|2,0,0]=3 1540 B15R1.8273 CC(C)CNNC(=O)c1cccc(c1)Cl 22a_100000696102_100000210390 [0,1,0,0,0,0|2,0,0]=3 1541 B15R1.8273 CC(C)CNNC(=O)c1cccc(c1)F 22a_100000696102_100000210950 [0,1,0,0,0,0|2,0,0]=3 1542 B15R1.8273 CC(C)CNNC(=O)c1cccc(c1)I 22a_100000696102_100000184098 [0,1,0,0,0,0|2,0,0]=3 1543 B15R1.8273 CC(C)CNNC(=O)c1cccc(c1)O 22a_100000696102_100000183914 [0,1,0,0,0,0|2,0,0]=3 1544 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)Br 34a_100000210257_100000212080 [0,1,0,0,0,0|2,0,0]=3 1545 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)Cl 34a_100000210257_100000211444 [0,1,0,0,0,0|2,0,0]=3 1546 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210760 [0,1,0,0,0,0|2,0,0]=3 1547 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)F 34a_100000210257_100000215616 [0,1,0,0,0,0|2,0,0]=3 1548 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)F 34a_100011592800_100000210624 [0,1,0,0,0,0|2,0,0]=3 1549 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)F 7a_100011592800_100000210760 [0,1,0,0,0,0|2,0,0]=3 1550 B15R1.8273 CC(C)COCC(=O)c1cccc(c1)O 34a_100000210257_100009813753 [0,1,0,0,0,0|2,0,0]=3 1551 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)Br 62a_100000210624_100000212080 [0,1,0,0,0,0|2,0,0]=3 1552 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210760 [0,1,0,0,0,0|2,0,0]=3 1553 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)Cl 62a_100000210624_100000211444 [0,1,0,0,0,0|2,0,0]=3 1554 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210760 [0,1,0,0,0,0|2,0,0]=3 1555 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)F 62a_100000210624_100000215616 [0,1,0,0,0,0|2,0,0]=3 1556 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)F 62a_100000215616_100000210760 [0,1,0,0,0,0|2,0,0]=3 1557 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)O 62a_100000210624_100009813753 [0,1,0,0,0,0|2,0,0]=3 1558 B15R1.8273 CC(C)CSCC(=O)c1cccc(c1)O 62a_100009813753_100000210760 [0,1,0,0,0,0|2,0,0]=3 1559 B15R1.8273 CC(C)CSCC(=O)c1ccnc(c1)Cl 62a_100000210624_100009817076 [0,1,0,0,0,0|3,0,0]=4 1560 B15R1.8273 CC(C)CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210760 [0,1,0,0,0,0|3,0,0]=4 1561 B15R1.8273 CC(C)OCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000211751 [0,1,0,0,0,0|2,0,0]=3 1562 B15R1.8273 CC(C)OCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000211751 [0,1,0,0,0,0|2,0,0]=3 1563 B15R1.8273 CC(C)OCCC(=O)c1cccc(c1)F 1458a_100000210950_100000211751 [0,1,0,0,0,0|2,0,0]=3 1564 B15R1.8273 CC(C)OCCC(=O)c1cccc(c1)I 1458a_100000184098_100000211751 [0,1,0,0,0,0|2,0,0]=3 1565 B15R1.8273 CC(C)OCCC(=O)c1cccc(c1)O 1458a_100000183914_100000211751 [0,1,0,0,0,0|2,0,0]=3 1566 B15R1.8273 CC(C)OCOC(C)c1cccc(c1)Br 34a_100000246457_100000709892 [0,1,0,0,0,0|2,0,1]=4 1567 B15R1.8273 CC(C)OCOC(C)c1cccc(c1)F 34a_100000744526_100000709892 [0,1,0,0,0,0|2,0,1]=4 1568 B15R1.8273 CC(C)OCOC(C)c1cccc(c1)I 34a_100013085317_100000709892 [0,1,0,0,0,0|2,0,1]=4 1569 B15R1.8273 CC(C)OCOC(C)c1cccc(c1)N 34a_100011217120_100000709892 [0,1,0,0,0,0|2,0,1]=4 1570 B15R1.8273 CC(C)OCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000709892 [0,1,0,0,0,0|2,0,1]=4 1571 B15R1.8273 CC(C)SCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000730970 [0,1,0,0,0,0|2,0,0]=3 1572 B15R1.8273 CC(C)SCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000730970 [0,1,0,0,0,0|2,0,0]=3 1573 B15R1.8273 CC(C)SCCC(=O)c1cccc(c1)F 1458a_100000210950_100000730970 [0,1,0,0,0,0|2,0,0]=3 1574 B15R1.8273 CC(C)SCCC(=O)c1cccc(c1)I 1458a_100000184098_100000730970 [0,1,0,0,0,0|2,0,0]=3 1575 B15R1.8273 CC(C)SCCC(=O)c1cccc(c1)O 1458a_100000183914_100000730970 [0,1,0,0,0,0|2,0,0]=3 1576 B15R1.8273 CC(F)COCC(=O)c1cccc(c1)Br 34a_100015925927_100000212080 [0,1,0,0,0,0|3,0,0]=4 1577 B15R1.8273 CC(F)COCC(=O)c1cccc(c1)Cl 34a_100015925927_100000211444 [0,1,0,0,0,0|3,0,0]=4 1578 B15R1.8273 CC(F)COCC(=O)c1cccc(c1)F 34a_100015925927_100000215616 [0,1,0,0,0,0|3,0,0]=4 1579 B15R1.8273 CC(F)COCC(=O)c1cccc(c1)O 34a_100015925927_100009813753 [0,1,0,0,0,0|3,0,0]=4 1580 B15R1.8273 CC(O)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_200000718107 [0,1,0,0,0,0|2,0,0]=3 1581 B15R1.8273 CC(O)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_200000718107 [0,1,0,0,0,0|2,0,0]=3 1582 B15R1.8273 CC(O)CCCC(=O)c1cccc(c1)F 1458a_100000210950_200000718107 [0,1,0,0,0,0|2,0,0]=3 1583 B15R1.8273 CC(O)CCCC(=O)c1cccc(c1)I 1458a_100000184098_200000718107 [0,1,0,0,0,0|2,0,0]=3 1584 B15R1.8273 CC(O)CCCC(=O)c1cccc(c1)O 1458a_100000183914_200000718107 [0,1,0,0,0,0|2,0,0]=3 1585 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)Br 240690a_200000755665_100000210664 [0,1,0,0,0,0|2,0,0]=3 1586 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)Br 527a_200000755665_100000210664 [0,1,0,0,0,0|2,0,0]=3 1587 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)Cl 240690a_200000755665_100000210390 [0,1,0,0,0,0|2,0,0]=3 1588 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)Cl 527a_200000755665_100000210390 [0,1,0,0,0,0|2,0,0]=3 1589 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)F 240690a_200000755665_100000210950 [0,1,0,0,0,0|2,0,0]=3 1590 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)F 527a_200000755665_100000210950 [0,1,0,0,0,0|2,0,0]=3 1591 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)I 240690a_200000755665_100000184098 [0,1,0,0,0,0|2,0,0]=3 1592 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)I 527a_200000755665_100000184098 [0,1,0,0,0,0|2,0,0]=3 1593 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)O 240690a_200000755665_100000183914 [0,1,0,0,0,0|2,0,0]=3 1594 B15R1.8273 CC(O)CCNC(=O)c1cccc(c1)O 527a_200000755665_100000183914 [0,1,0,0,0,0|2,0,0]=3 1595 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)Br 34a_100000246457_100012276601 [0,1,0,0,0,0|2,0,1]=4 1596 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)Br 7a_100000246457_100012276601 [0,1,0,0,0,0|2,0,1]=4 1597 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)F 34a_100000744526_100012276601 [0,1,0,0,0,0|2,0,1]=4 1598 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)F 7a_100000744526_100012276601 [0,1,0,0,0,0|2,0,1]=4 1599 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)I 34a_100013085317_100012276601 [0,1,0,0,0,0|2,0,1]=4 1600 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)I 7a_100013085317_100012276601 [0,1,0,0,0,0|2,0,1]=4 1601 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)N 34a_100011217120_100012276601 [0,1,0,0,0,0|2,0,1]=4 1602 B15R1.8273 CC(O)CCOC(C)c1cccc(c1)N 7a_100011217120_100012276601 [0,1,0,0,0,0|2,0,1]=4 1603 B15R1.8273 CC(O)CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100012276601 [0,1,0,0,0,0|2,0,1]=4 1604 B15R1.8273 CC(O)CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100012276601 [0,1,0,0,0,0|2,0,1]=4 1605 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)Br 2230a_100000210904_100000212080 [0,1,0,0,0,0|3,0,0]=4 1606 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)Br 34a_100000210904_100000212080 [0,1,0,0,0,0|3,0,0]=4 1607 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)Cl 2230a_100000210904_100000211444 [0,1,0,0,0,0|3,0,0]=4 1608 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)Cl 34a_100000210904_100000211444 [0,1,0,0,0,0|3,0,0]=4 1609 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)F 2230a_100000210904_100000215616 [0,1,0,0,0,0|3,0,0]=4 1610 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)F 34a_100000210904_100000215616 [0,1,0,0,0,0|3,0,0]=4 1611 B15R1.8273 CC(O)CNCC(=O)c1cccc(c1)O 34a_100000210904_100009813753 [0,1,0,0,0,0|3,0,0]=4 1612 B15R1.8273 CC(O)CNNC(=O)c1cccc(c1)Br 22a_200000730056_100000210664 [0,1,0,0,0,0|3,0,0]=4 1613 B15R1.8273 CC(O)CNNC(=O)c1cccc(c1)Cl 22a_200000730056_100000210390 [0,1,0,0,0,0|3,0,0]=4 1614 B15R1.8273 CC(O)CNNC(=O)c1cccc(c1)F 22a_200000730056_100000210950 [0,1,0,0,0,0|3,0,0]=4 1615 B15R1.8273 CC(O)CNNC(=O)c1cccc(c1)I 22a_200000730056_100000184098 [0,1,0,0,0,0|3,0,0]=4 1616 B15R1.8273 CC(O)CNNC(=O)c1cccc(c1)O 22a_200000730056_100000183914 [0,1,0,0,0,0|3,0,0]=4 1617 B15R1.8273 CC(O)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100011218427 [0,1,0,0,0,0|3,0,0]=4 1618 B15R1.8273 CC(O)COCC(=O)c1cccc(c1)F 34a_100011592800_100011218427 [0,1,0,0,0,0|3,0,0]=4 1619 B15R1.8273 CC(O)COCC(=O)c1cccc(c1)F 7a_100011592800_100011218427 [0,1,0,0,0,0|3,0,0]=4 1620 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100011218427 [0,1,0,0,0,0|3,0,0]=4 1621 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)Br 62a_100011218427_100000212080 [0,1,0,0,0,0|3,0,0]=4 1622 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011218427 [0,1,0,0,0,0|3,0,0]=4 1623 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)Cl 62a_100011218427_100000211444 [0,1,0,0,0,0|3,0,0]=4 1624 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)F 62a_100000215616_100011218427 [0,1,0,0,0,0|3,0,0]=4 1625 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)F 62a_100011218427_100000215616 [0,1,0,0,0,0|3,0,0]=4 1626 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)O 62a_100009813753_100011218427 [0,1,0,0,0,0|3,0,0]=4 1627 B15R1.8273 CC(O)CSCC(=O)c1cccc(c1)O 62a_100011218427_100009813753 [0,1,0,0,0,0|3,0,0]=4 1628 B15R1.8273 CC(OCCN(C)C)c1cccc(c1)Br 7a_100000246457_100000755713 [0,1,0,0,0,0|2,0,1]=4 1629 B15R1.8273 CC(OCCN(C)C)c1cccc(c1)F 7a_100000744526_100000755713 [0,1,0,0,0,0|2,0,1]=4 1630 B15R1.8273 CC(OCCN(C)C)c1cccc(c1)I 7a_100013085317_100000755713 [0,1,0,0,0,0|2,0,1]=4 1631 B15R1.8273 CC(OCCN(C)C)c1cccc(c1)N 7a_100011217120_100000755713 [0,1,0,0,0,0|2,0,1]=4 1632 B15R1.8273 CN(C)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000695564 [0,1,0,0,0,0|2,0,0]=3 1633 B15R1.8273 CN(C)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000695564 [0,1,0,0,0,0|2,0,0]=3 1634 B15R1.8273 CN(C)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000695564 [0,1,0,0,0,0|2,0,0]=3 1635 B15R1.8273 CN(C)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000695564 [0,1,0,0,0,0|2,0,0]=3 1636 B15R1.8273 CN(C)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000695564 [0,1,0,0,0,0|2,0,0]=3 1637 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)Br 240690a_100000210585_100000210664 [0,1,0,0,0,0|2,0,0]=3 1638 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)Br 527a_100000210585_100000210664 [0,1,0,0,0,0|2,0,0]=3 1639 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)Cl 240690a_100000210585_100000210390 [0,1,0,0,0,0|2,0,0]=3 1640 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)Cl 527a_100000210585_100000210390 [0,1,0,0,0,0|2,0,0]=3 1641 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)F 240690a_100000210585_100000210950 [0,1,0,0,0,0|2,0,0]=3 1642 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)F 527a_100000210585_100000210950 [0,1,0,0,0,0|2,0,0]=3 1643 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)I 240690a_100000210585_100000184098 [0,1,0,0,0,0|2,0,0]=3 1644 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)I 527a_100000210585_100000184098 [0,1,0,0,0,0|2,0,0]=3 1645 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)O 240690a_100000210585_100000183914 [0,1,0,0,0,0|2,0,0]=3 1646 B15R1.8273 CN(C)CCNC(=O)c1cccc(c1)O 527a_100000210585_100000183914 [0,1,0,0,0,0|2,0,0]=3 1647 B15R1.8273 C[C@@H](Cl)COCC(=O)c1cccc(c1)Br 34a_100016084084_100000212080 [0,1,0,0,0,0|3,0,0]=4 1648 B15R1.8273 C[C@@H](Cl)COCC(=O)c1cccc(c1)Cl 34a_100016084084_100000211444 [0,1,0,0,0,0|3,0,0]=4 1649 B15R1.8273 C[C@@H](Cl)COCC(=O)c1cccc(c1)F 34a_100016084084_100000215616 [0,1,0,0,0,0|3,0,0]=4 1650 B15R1.8273 C[C@@H](Cl)COCC(=O)c1cccc(c1)O 34a_100016084084_100009813753 [0,1,0,0,0,0|3,0,0]=4 1651 B15R1.8273 C[C@@H](N)COCC(=O)c1cccc(c1)Br 34a_100000737577_100000212080 [0,1,0,0,0,0|3,0,0]=4 1652 B15R1.8273 C[C@@H](N)COCC(=O)c1cccc(c1)Cl 34a_100000737577_100000211444 [0,1,0,0,0,0|3,0,0]=4 1653 B15R1.8273 C[C@@H](N)COCC(=O)c1cccc(c1)F 34a_100000737577_100000215616 [0,1,0,0,0,0|3,0,0]=4 1654 B15R1.8273 C[C@@H](N)COCC(=O)c1cccc(c1)O 34a_100000737577_100009813753 [0,1,0,0,0,0|3,0,0]=4 1655 B15R1.8273 C[C@@H](O)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100009817552 [0,1,0,0,0,0|3,0,0]=4 1656 B15R1.8273 C[C@@H](O)COCC(=O)c1cccc(c1)F 34a_100011592800_100009817552 [0,1,0,0,0,0|3,0,0]=4 1657 B15R1.8273 C[C@@H](O)COCC(=O)c1cccc(c1)F 7a_100011592800_100009817552 [0,1,0,0,0,0|3,0,0]=4 1658 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100009817552 [0,1,0,0,0,0|3,0,0]=4 1659 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)Br 62a_100009817552_100000212080 [0,1,0,0,0,0|3,0,0]=4 1660 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100009817552 [0,1,0,0,0,0|3,0,0]=4 1661 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)Cl 62a_100009817552_100000211444 [0,1,0,0,0,0|3,0,0]=4 1662 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)F 62a_100000215616_100009817552 [0,1,0,0,0,0|3,0,0]=4 1663 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)F 62a_100009817552_100000215616 [0,1,0,0,0,0|3,0,0]=4 1664 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)O 62a_100009813753_100009817552 [0,1,0,0,0,0|3,0,0]=4 1665 B15R1.8273 C[C@@H](O)CSCC(=O)c1cccc(c1)O 62a_100009817552_100009813753 [0,1,0,0,0,0|3,0,0]=4 1666 B15R1.8273 C[C@@H](OCCN(C)C)c1cccc(c1)Cl 7a_100000747380_100000755713 [0,1,0,0,0,0|2,0,1]=4 1667 B15R1.8273 Cc1cccc(c1)C(=O)CCCC(C)C 1458a_100000189346_100011214892 [0,1,0,0,0,0|1,0,0]=2 1668 B15R1.8273 Cc1cccc(c1)C(=O)CCCC(C)O 1458a_100000189346_200000718107 [0,1,0,0,0,0|2,0,0]=3 1669 B15R1.8273 Cc1cccc(c1)C(=O)CCCN(C)C 1458a_100000189346_100000695564 [0,1,0,0,0,0|2,0,0]=3 1670 B15R1.8273 Cc1cccc(c1)C(=O)CCOC(C)C 1458a_100000189346_100000211751 [0,1,0,0,0,0|2,0,0]=3 1671 B15R1.8273 Cc1cccc(c1)C(=O)CCSC(C)C 1458a_100000189346_100000730970 [0,1,0,0,0,0|2,0,0]=3 1672 B15R1.8273 Cc1cccc(c1)C(=O)CNCC(C)C 2230a_100000210953_100000739480 [0,1,0,0,0,0|2,0,0]=3 1673 B15R1.8273 Cc1cccc(c1)C(=O)CNCC(C)C 34a_100000210953_100000739480 [0,1,0,0,0,0|2,0,0]=3 1674 B15R1.8273 Cc1cccc(c1)C(=O)CNCC(C)O 2230a_100000210904_100000739480 [0,1,0,0,0,0|3,0,0]=4 1675 B15R1.8273 Cc1cccc(c1)C(=O)CNCC(C)O 34a_100000210904_100000739480 [0,1,0,0,0,0|3,0,0]=4 1676 B15R1.8273 Cc1cccc(c1)C(=O)COCC(C)Br 34a_100012180447_100000739480 [0,1,0,0,0,0|3,0,0]=4 1677 B15R1.8273 Cc1cccc(c1)C(=O)COCC(C)C 34a_100000210257_100000739480 [0,1,0,0,0,0|2,0,0]=3 1678 B15R1.8273 Cc1cccc(c1)C(=O)COCC(C)F 34a_100015925927_100000739480 [0,1,0,0,0,0|3,0,0]=4 1679 B15R1.8273 Cc1cccc(c1)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000739480 [0,1,0,0,0,0|3,0,0]=4 1680 B15R1.8273 Cc1cccc(c1)C(=O)COC[C@@H](C)N 34a_100000737577_100000739480 [0,1,0,0,0,0|3,0,0]=4 1681 B15R1.8273 Cc1cccc(c1)C(=O)CSCC(C)C 62a_100000210624_100000739480 [0,1,0,0,0,0|2,0,0]=3 1682 B15R1.8273 Cc1cccc(c1)C(=O)CSCC(C)C 62a_100000739480_100000210760 [0,1,0,0,0,0|2,0,0]=3 1683 B15R1.8273 Cc1cccc(c1)C(=O)CSCC(C)O 62a_100000739480_100011218427 [0,1,0,0,0,0|3,0,0]=4 1684 B15R1.8273 Cc1cccc(c1)C(=O)CSCC(C)O 62a_100011218427_100000739480 [0,1,0,0,0,0|3,0,0]=4 1685 B15R1.8273 Cc1cccc(c1)C(=O)CSC[C@@H](C)O 62a_100000739480_100009817552 [0,1,0,0,0,0|3,0,0]=4 1686 B15R1.8273 Cc1cccc(c1)C(=O)CSC[C@@H](C)O 62a_100009817552_100000739480 [0,1,0,0,0,0|3,0,0]=4 1687 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(=O)[13CH3] 1458a_100000184521_200025704644 [0,1,0,0,0,0|2,0,1]=4 1688 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100000189346 [0,1,0,0,0,0|1,0,0]=2 1689 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100000189346 [0,1,0,0,0,0|1,0,0]=2 1690 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100000189346 [0,1,0,0,0,0|1,0,0]=2 1691 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100000189346 [0,1,0,0,0,0|1,0,0]=2 1692 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100000189346 [0,1,0,0,0,0|2,0,0]=3 1693 B15R1.8273 Cc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100000189346 [0,1,0,0,0,0|2,0,0]=3 1694 B15R1.8273 Cc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100000189346 [0,1,0,0,0,0|2,0,0]=3 1695 B15R1.8273 Cc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100000189346 [0,1,0,0,0,0|2,0,0]=3 1696 B15R1.8273 Cc1cccc(c1)C(=O)NN=CC(C)C 4a_100000189845_100000210432 [0,1,0,0,0,0|2,0,1]=4 1697 B15R1.8273 Cc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100000189346 [0,1,0,0,0,0|2,0,0]=3 1698 B15R1.8273 Cc1cccc(c1)C(=O)NNCC(C)O 22a_200000730056_100000189346 [0,1,0,0,0,0|3,0,0]=4 1699 B15R1.8273 Cc1cccc(c1)C(C)NCCC(C)C 269862a_100000210545_100000211476 [0,1,0,0,0,0|2,0,1]=4 1700 B15R1.8273 Cc1cccc(c1)C(C)OCCC(C)C 34a_100000757818_100000210312 [0,1,0,0,0,0|1,0,1]=3 1701 B15R1.8273 Cc1cccc(c1)C(C)OCCC(C)C 7a_100000757818_100000210626 [0,1,0,0,0,0|1,0,1]=3 1702 B15R1.8273 Cc1cccc(c1)C(C)OCCC(C)O 34a_100000757818_100012276601 [0,1,0,0,0,0|2,0,1]=4 1703 B15R1.8273 Cc1cccc(c1)C(C)OCCC(C)O 7a_100000757818_100012276601 [0,1,0,0,0,0|2,0,1]=4 1704 B15R1.8273 Cc1cccc(c1)C(C)OCCN(C)C 7a_100000757818_100000755713 [0,1,0,0,0,0|2,0,1]=4 1705 B15R1.8273 Cc1cccc(c1)C(C)OCOC(C)C 34a_100000757818_100000709892 [0,1,0,0,0,0|2,0,1]=4 1706 B15R1.8273 Cc1cccc(c1)N(C)CCCC(C)C 2230a_100000219674_100011214892 [0,1,0,0,0,0|3,0,0]=4 1707 B15R1.8273 Cc1cccc(c1)N(C)CCCC(C)C 269982a_100000219674_100011214892 [0,1,0,0,0,0|3,0,0]=4 1708 B15R1.8273 Cc1cccc(c1)N(C)CCCC(C)C 34a_100000219674_100011214892 [0,1,0,0,0,0|3,0,0]=4 1709 B15R1.8273 Cc1cccc(c1)[C@@H](C)NCCC(C)C 2230a_100000698126_100000210312 [0,1,0,0,0,0|2,0,1]=4 1710 B15R1.8273 Cc1cccc(c1)[C@@H](C)NCCC(C)C 269862a_100000698126_100000185833 [0,1,0,0,0,0|2,0,1]=4 1711 B15R1.8273 Cc1cccc(c1)[C@@H](C)NCCC(C)C 34a_100000698126_100000210312 [0,1,0,0,0,0|2,0,1]=4 1712 B15R1.8273 Cc1cccc(n1)C(C)OCCC(C)C 34a_200011877368_100000210312 [0,1,0,0,0,0|2,0,1]=4 1713 B15R1.8273 Cc1cccc(n1)C(C)OCCC(C)C 7a_200011877368_100000210626 [0,1,0,0,0,0|2,0,1]=4 1714 B15R1.9094 CC(C)(C)CCNC(=O)c1ccccc1 11a_100000738805_100000185807 [0,1,0,0,0,0|1,0,0]=2 1715 B15R1.9094 CC(C)(C)CCNC(=O)c1ccccc1 1626a_100000738805_100000185807 [0,1,0,0,0,0|1,0,0]=2 1716 B15R1.9094 CC(C)(C)CCNC(=O)c1ccccc1 240690a_100000738805_100000185807 [0,1,0,0,0,0|1,0,0]=2 1717 B15R1.9094 CC(C)(C)CCNC(=O)c1ccccc1 527a_100000738805_100000185807 [0,1,0,0,0,0|1,0,0]=2 1718 B15R1.9094 CC(C)(C)CSCC(=O)c1ccccc1 62a_100000211460_100011219605 [0,1,0,0,0,0|2,0,0]=3 1719 B15R1.9094 CC(C)(C)CSCC(=O)c1ccccc1 62a_100011219605_100000211460 [0,1,0,0,0,0|2,0,0]=3 1720 B15R1.9094 CC(C)(C)CSCC(=O)c1ccccn1 62a_100000027445_100011219605 [0,1,0,0,0,0|3,0,0]=4 1721 B15R1.9094 CC(C)(C)CSCC(=O)c1ccccn1 62a_100011219605_100000027445 [0,1,0,0,0,0|3,0,0]=4 1722 B15R1.9094 CC(C)(C)CSCC(=O)c1cccnc1 62a_100000757877_100011219605 [0,1,0,0,0,0|3,0,0]=4 1723 B15R1.9094 CC(C)(C)CSCC(=O)c1cccnc1 62a_100011219605_100000757877 [0,1,0,0,0,0|3,0,0]=4 1724 B15R1.9094 CC(C)(C)CSCC(=O)c1ccncc1 62a_100000027454_100011219605 [0,1,0,0,0,0|3,0,0]=4 1725 B15R1.9094 CC(C)(C)CSCC(=O)c1ccncc1 62a_100011219605_100000027454 [0,1,0,0,0,0|3,0,0]=4 1726 B15R1.9094 CC(C)(C)CSCS(=O)c1ccccc1 62a_100011219605_100000031784 [0,1,0,0,0,0|3,0,0]=4 1727 B15R1.9094 CC(C)(C)NCCC(=O)c1ccccc1 2230a_100000715429_100000750707 [0,1,0,0,0,0|2,0,0]=3 1728 B15R1.9094 CC(C)(C)NCCS(=O)c1ccccc1 2230a_100000715429_100000740319 [0,1,0,0,0,0|3,0,0]=4 1729 B15R1.9094 CC(C)(C)OCCC(=O)c1ccccc1 7a_100015890283_100000750707 [0,1,0,0,0,0|2,0,0]=3 1730 B15R1.9094 CC(C)(C)OCCS(=O)c1ccccc1 7a_100015890283_100000740319 [0,1,0,0,0,0|3,0,0]=4 1731 B15R1.9094 CC(C)(C)OCOC(=O)c1ccccc1 7a_100015890283_100000073877 [0,1,0,0,0,0|1,0,0]=2 1732 B15R1.9094 CC(C)(C)SCCC(=O)c1ccccc1 62a_100000211941_100000750707 [0,1,0,0,0,0|2,0,0]=3 1733 B15R1.9094 CC(C)(C)SCCC(=O)c1ccccc1 62a_100000750707_100000211941 [0,1,0,0,0,0|2,0,0]=3 1734 B15R1.9094 CC(C)(C)SCCS(=O)c1ccccc1 62a_100000211941_100000740319 [0,1,0,0,0,0|3,0,0]=4 1735 B15R1.9094 CC(C)(C)SCOC(=O)c1ccccc1 62a_100000073877_100000211941 [0,1,0,0,0,0|1,0,0]=2 1736 B15R1.9094 CC(C)(C)SCOC(=O)c1ccccc1 62a_100000211941_100000073877 [0,1,0,0,0,0|1,0,0]=2 1737 B15R1.9094 CC(C)(F)CCNC(=O)c1ccccc1 11a_100016253952_100000185807 [0,1,0,0,0,0|1,0,0]=2 1738 B15R1.9094 CC(C)(F)CCNC(=O)c1ccccc1 1626a_100016253952_100000185807 [0,1,0,0,0,0|1,0,0]=2 1739 B15R1.9094 CC(C)(F)CCNC(=O)c1ccccc1 240690a_100016253952_100000185807 [0,1,0,0,0,0|1,0,0]=2 1740 B15R1.9094 CC(C)(F)CCNC(=O)c1ccccc1 527a_100016253952_100000185807 [0,1,0,0,0,0|1,0,0]=2 1741 B15R1.9094 CC(C)(F)COCC(=O)c1ccccn1 34a_100000716592_100000027445 [0,1,0,0,0,0|3,0,0]=4 1742 B15R1.9094 CC(C)(F)CSCC(=O)c1ccccc1 62a_100000211460_100011997219 [0,1,0,0,0,0|2,0,0]=3 1743 B15R1.9094 CC(C)(F)CSCC(=O)c1ccccc1 62a_100011997219_100000211460 [0,1,0,0,0,0|2,0,0]=3 1744 B15R1.9094 CC(C)(F)CSCC(=O)c1ccccn1 62a_100000027445_100011997219 [0,1,0,0,0,0|3,0,0]=4 1745 B15R1.9094 CC(C)(F)CSCC(=O)c1ccccn1 62a_100011997219_100000027445 [0,1,0,0,0,0|3,0,0]=4 1746 B15R1.9094 CC(C)(F)CSCC(=O)c1cccnc1 62a_100000757877_100011997219 [0,1,0,0,0,0|3,0,0]=4 1747 B15R1.9094 CC(C)(F)CSCC(=O)c1cccnc1 62a_100011997219_100000757877 [0,1,0,0,0,0|3,0,0]=4 1748 B15R1.9094 CC(C)(F)CSCC(=O)c1ccncc1 62a_100000027454_100011997219 [0,1,0,0,0,0|3,0,0]=4 1749 B15R1.9094 CC(C)(F)CSCC(=O)c1ccncc1 62a_100011997219_100000027454 [0,1,0,0,0,0|3,0,0]=4 1750 B15R1.9094 CC(C)(F)CSCS(=O)c1ccccc1 62a_100011997219_100000031784 [0,1,0,0,0,0|3,0,0]=4 1751 B15R1.9094 CC(C)(O)CCNC(=O)c1ccccc1 1626a_100000707701_100000185807 [0,1,0,0,0,0|1,0,0]=2 1752 B15R1.9094 CC(C)(O)CCNC(=O)c1ccccc1 527a_100000707701_100000185807 [0,1,0,0,0,0|1,0,0]=2 1753 B15R1.9094 CC(C)(O)CSCC(=O)c1ccccc1 62a_100000211460_100000764493 [0,1,0,0,0,0|2,0,0]=3 1754 B15R1.9094 CC(C)(O)CSCC(=O)c1ccccc1 62a_100000764493_100000211460 [0,1,0,0,0,0|2,0,0]=3 1755 B15R1.9094 CC(C)(O)CSCC(=O)c1ccccn1 62a_100000027445_100000764493 [0,1,0,0,0,0|3,0,0]=4 1756 B15R1.9094 CC(C)(O)CSCC(=O)c1ccccn1 62a_100000764493_100000027445 [0,1,0,0,0,0|3,0,0]=4 1757 B15R1.9094 CC(C)(O)CSCC(=O)c1cccnc1 62a_100000757877_100000764493 [0,1,0,0,0,0|3,0,0]=4 1758 B15R1.9094 CC(C)(O)CSCC(=O)c1cccnc1 62a_100000764493_100000757877 [0,1,0,0,0,0|3,0,0]=4 1759 B15R1.9094 CC(C)(O)CSCC(=O)c1ccncc1 62a_100000027454_100000764493 [0,1,0,0,0,0|3,0,0]=4 1760 B15R1.9094 CC(C)(O)CSCC(=O)c1ccncc1 62a_100000764493_100000027454 [0,1,0,0,0,0|3,0,0]=4 1761 B15R1.9094 CC(C)(O)CSCS(=O)c1ccccc1 62a_100000764493_100000031784 [0,1,0,0,0,0|3,0,0]=4 1762 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 2230a_100000738805_100000230085 [0,1,0,0,0,0|2,0,1]=4 1763 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 269862a_100000738805_100000185851 [0,1,0,0,0,0|2,0,1]=4 1764 B15R1.9094 CC(NCCC(C)(C)F)c1ccccc1 2230a_100016253952_100000230085 [0,1,0,0,0,0|2,0,1]=4 1765 B15R1.9094 CC(NCCC(C)(C)F)c1ccccc1 269862a_100016253952_100000185851 [0,1,0,0,0,0|2,0,1]=4 1766 B15R1.9094 CC(NCCC(C)(C)O)c1ccccc1 269862a_100000707701_100000185851 [0,1,0,0,0,0|2,0,1]=4 1767 B15R1.9094 CC(OCCC(C)(C)C)c1ccccc1 7a_100000765024_100000230085 [0,1,0,0,0,0|1,0,1]=3 1768 B15R1.9094 CC(OCC[N+](C)(C)C)c1ccccc1 7a_200020618287_100000230085 [0,1,0,0,0,0|2,0,1]=4 1769 B15R1.9094 CC(OCC[Si](C)(C)C)c1ccccc1 7a_100000039746_100000230085 [0,1,0,0,0,0|1,1,1]=4 1770 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000230085_100000755188 [0,1,0,0,0,0|1,1,1]=4 1771 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000755188_100000230085 [0,1,0,0,0,0|1,1,1]=4 1772 B15R1.9094 CC(SCCC(C)(C)O)c1ccccc1 62a_100000230085_100000702414 [0,1,0,0,0,0|1,1,1]=4 1773 B15R1.9094 CC(SCCC(C)(C)O)c1ccccc1 62a_100000702414_100000230085 [0,1,0,0,0,0|1,1,1]=4 1774 B15R1.9094 CN(CCCC(C)(C)O)c1ccccc1 2230a_100000210012_100009888830 [0,1,0,0,0,0|3,0,0]=4 1775 B15R1.9094 CN(CCCC(C)(C)O)c1ccccc1 269982a_100000210012_100009888830 [0,1,0,0,0,0|3,0,0]=4 1776 B15R1.9094 CN(CCCC(C)(C)O)c1ccccc1 34a_100000210012_100009888830 [0,1,0,0,0,0|3,0,0]=4 1777 B15R1.9094 CS(=O)(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100000754308 [0,1,0,0,0,0|3,0,0]=4 1778 B15R1.9094 CS(=O)(=O)CCNC(=O)c1ccccc1 11a_100000740961_100000185807 [0,1,0,0,0,0|3,0,0]=4 1779 B15R1.9094 CS(=O)(=O)CCNC(=O)c1ccccc1 1626a_100000740961_100000185807 [0,1,0,0,0,0|3,0,0]=4 1780 B15R1.9094 CS(=O)(=O)CCNC(=O)c1ccccc1 240690a_100000740961_100000185807 [0,1,0,0,0,0|3,0,0]=4 1781 B15R1.9094 CS(=O)(=O)CCNC(=O)c1ccccc1 527a_100000740961_100000185807 [0,1,0,0,0,0|3,0,0]=4 1782 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1ccccc1 2230a_100000751104_100000755188 [0,1,0,0,0,0|2,0,1]=4 1783 B15R1.9094 C[C@@H](NCCC(C)(C)O)c1ccccc1 2230a_100000751104_100000702414 [0,1,0,0,0,0|2,0,1]=4 1784 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 34a_100000761318_100000755188 [0,1,0,0,0,0|1,0,1]=3 1785 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 7a_100000761318_100000755188 [0,1,0,0,0,0|1,0,1]=3 1786 B15R1.9094 C[C@@H](OCCC(C)(C)O)c1ccccc1 34a_100000761318_100000702414 [0,1,0,0,0,0|1,0,1]=3 1787 B15R1.9094 C[C@@H](OCCC(C)(C)O)c1ccccc1 7a_100000761318_100000702414 [0,1,0,0,0,0|1,0,1]=3 1788 B15R1.9094 C[C@@H](OCC[N+](C)(C)C)c1ccccc1 34a_100000761318_100000085578 [0,1,0,0,0,0|2,0,1]=4 1789 B15R1.9094 C[C@@H](OCC[N+](C)(C)C)c1ccccc1 7a_100000761318_100000085578 [0,1,0,0,0,0|2,0,1]=4 1790 B15R1.9094 C[C@@H](OCC[Si](C)(C)C)c1ccccc1 34a_100000761318_200000733723 [0,1,0,0,0,0|1,1,1]=4 1791 B15R1.9094 C[C@@H](OCC[Si](C)(C)C)c1ccccc1 7a_100000761318_200000733723 [0,1,0,0,0,0|1,1,1]=4 1792 B15R1.9094 C[N+](C)(C)CCCC(=O)c1ccccc1 1458a_100000185807_100016990835 [0,1,0,0,0,0|2,0,0]=3 1793 B15R1.9094 C[N+](C)(C)CCNC(=O)c1ccccc1 1626a_100000106457_100000185807 [0,1,0,0,0,0|2,0,0]=3 1794 B15R1.9094 C[N+](C)(C)CCNC(=O)c1ccccc1 240690a_100000106457_100000185807 [0,1,0,0,0,0|2,0,0]=3 1795 B15R1.9094 C[N+](C)(C)CCNC(=O)c1ccccc1 527a_100000106457_100000185807 [0,1,0,0,0,0|2,0,0]=3 1796 B15R1.9094 C[N+](C)(C)CSCC(=O)c1ccccc1 62a_100000211460_200000036245 [0,1,0,0,0,0|3,0,0]=4 1797 B15R1.9094 C[N+](C)(C)CSCC(=O)c1ccccc1 62a_200000036245_100000211460 [0,1,0,0,0,0|3,0,0]=4 1798 B15R1.9094 C[Si](C)(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011219597 [0,1,0,0,0,0|1,1,0]=3 1799 B15R1.9094 C[Si](C)(C)CSCC(=O)c1ccccc1 62a_100000037933_100000211460 [0,1,0,0,0,0|2,1,0]=4 1800 B15R1.9094 C[Si](C)(C)CSCC(=O)c1ccccc1 62a_100000211460_100000037933 [0,1,0,0,0,0|2,1,0]=4 1801 B15R1.9094 C[Si](C)(C)OCCC(=O)c1ccccc1 1458a_100000185807_200000032530 [0,1,0,0,0,0|2,1,0]=4 1802 B15R1.9094 O=C(CCCC(F)(F)F)c1ccccc1 1458a_100000185807_100011216173 [0,1,0,0,0,0|3,0,0]=4 1803 B15R1.9094 O=C(NCCC(F)(F)F)c1ccccc1 11a_100000740434_100000185807 [0,1,0,0,0,0|3,0,0]=4 1804 B15R1.9094 O=C(NCCC(F)(F)F)c1ccccc1 1626a_100000740434_100000185807 [0,1,0,0,0,0|3,0,0]=4 1805 B15R1.9094 O=C(NCCC(F)(F)F)c1ccccc1 240690a_100000740434_100000185807 [0,1,0,0,0,0|3,0,0]=4 1806 B15R1.9094 O=C(NCCC(F)(F)F)c1ccccc1 527a_100000740434_100000185807 [0,1,0,0,0,0|3,0,0]=4 1807 B15R1.9094 O=C(OCSC(F)(F)F)c1ccccc1 62a_100000073877_200103152311 [0,1,0,0,0,0|3,0,0]=4 1808 B15R1.9094 O=C(OCSC(F)(F)F)c1ccccc1 62a_200000243211_100000073877 [0,1,0,0,0,0|3,0,0]=4 1809 B15R2.59 CC(C)c1noc(n1)c2ccccc2 270196a_100000210513_100000185807 [0,0,0,1,0,0|2,0,1]=4 1810 B15R2.297 CC(c1ccccc1)N2CC[C@H](C2)C 2230a_100016987628_100000230085 [0,0,0,1,0,0|2,0,1]=4 1811 B15R2.297 CC(c1ccccc1)N2CC[C@H](C2)C 269982a_100016987628_100000230085 [0,0,0,1,0,0|2,0,1]=4 1812 B15R2.297 CC(c1ccccc1)N2CC[C@H](C2)C 34a_100016987628_100000211855 [0,0,0,1,0,0|2,0,1]=4 1813 B15R2.297 C[C@@H]1CCN(C1)C(=O)c2ccccc2 11a_100016987628_100000185807 [0,0,0,1,0,0|1,0,0]=2 1814 B15R2.297 C[C@@H]1CCN(C1)C(=O)c2ccccc2 240690a_100016987628_100000185807 [0,0,0,1,0,0|1,0,0]=2 1815 B15R2.297 C[C@@H]1CCN(C1)C(=O)c2ccccc2 527a_100016987628_100000185807 [0,0,0,1,0,0|1,0,0]=2 1816 B15R2.297 O=C(c1ccccc1)N2CCC(C2)O 240690a_100011215560_100000185807 [0,0,0,1,0,0|2,0,0]=3 1817 B15R2.297 O=C(c1ccccc1)N2CCC(C2)O 527a_100011215560_100000185807 [0,0,0,1,0,0|2,0,0]=3 1818 B15R2.297 O=C(c1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100000185807 [0,0,0,1,0,0|2,0,0]=3 1819 B15R2.297 O=C(c1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100000185807 [0,0,0,1,0,0|2,0,0]=3 1820 B15R2.297 O=C(c1ccccc1)N2CC[C@@H](C2)F 240690a_100015203821_100000185807 [0,0,0,1,0,0|2,0,0]=3 1821 B15R2.297 O=C(c1ccccc1)N2CC[C@@H](C2)F 527a_100015203821_100000185807 [0,0,0,1,0,0|2,0,0]=3 1822 B15R2.612 C=C1CC(C1)NC(=O)c2ccccc2 11a_100132301982_100000185807 [0,0,0,1,0,0|1,0,2]=4 1823 B15R2.612 C=C1CC(C1)NC(=O)c2ccccc2 1626a_100132301982_100000185807 [0,0,0,1,0,0|1,0,2]=4 1824 B15R2.612 C=C1CC(C1)NC(=O)c2ccccc2 527a_100132301982_100000185807 [0,0,0,1,0,0|1,0,2]=4 1825 B15R2.612 CC1CN(C1)CC(=O)c2ccccc2 269982a_100000702820_100000211460 [0,0,0,1,0,0|2,0,0]=3 1826 B15R2.612 CC1CN(C1)CC(=O)c2ccccn2 269982a_100000702820_100000027445 [0,0,0,1,0,0|3,0,0]=4 1827 B15R2.612 CC1CN(C1)CC(=O)c2ccccn2 34a_100000702820_100000027445 [0,0,0,1,0,0|3,0,0]=4 1828 B15R2.612 CC1CN(C1)CC(=O)c2cccnc2 269982a_100000702820_100000757877 [0,0,0,1,0,0|3,0,0]=4 1829 B15R2.612 CC1CN(C1)CC(=O)c2ccncc2 269982a_100000702820_100000027454 [0,0,0,1,0,0|3,0,0]=4 1830 B15R2.612 CC1CN(C1)CS(=O)c2ccccc2 269982a_100000702820_100000031784 [0,0,0,1,0,0|3,0,0]=4 1831 B15R2.612 CN1CC(C1)NC(=O)c2ccccc2 240690a_100015196640_100000185807 [0,0,0,1,0,0|2,0,0]=3 1832 B15R2.612 O=C(CN1CC(C1)F)c2ccccc2 269982a_100000690557_100000211460 [0,0,0,1,0,0|3,0,0]=4 1833 B15R2.612 O=C(CN1CC(C1)O)c2ccccc2 269982a_100000749847_100000211460 [0,0,0,1,0,0|3,0,0]=4 1834 B15R2.612 O=C(NC1CC(C1)F)c2ccccc2 11a_100016993743_100000185807 [0,0,0,1,0,0|2,0,0]=3 1835 B15R2.612 O=C(NC1CC(C1)F)c2ccccc2 1626a_100016993743_100000185807 [0,0,0,1,0,0|2,0,0]=3 1836 B15R2.612 O=C(NC1CC(C1)F)c2ccccc2 240690a_100016993743_100000185807 [0,0,0,1,0,0|2,0,0]=3 1837 B15R2.612 O=C(NC1CC(C1)F)c2ccccc2 527a_100016993743_100000185807 [0,0,0,1,0,0|2,0,0]=3 1838 B15R2.612 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2 11a_100020629032_100000185807 [0,0,0,1,0,0|2,0,0]=3 1839 B15R2.612 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2 1626a_100020629032_100000185807 [0,0,0,1,0,0|2,0,0]=3 1840 B15R2.612 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2 240690a_100020629032_100000185807 [0,0,0,1,0,0|2,0,0]=3 1841 B15R2.612 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2 527a_100020629032_100000185807 [0,0,0,1,0,0|2,0,0]=3 1842 B15R2.612 O=C1CC(C1)CC(=O)c2ccccc2 1458a_100000185807_100009874392 [0,0,0,1,0,0|2,0,1]=4 1843 B15R2.1040 CC(OCC1CC1C)c2ccccc2 34a_100000744939_100000211855 [0,0,0,1,0,0|1,0,1]=3 1844 B15R2.1040 CC(OCC1CC1C)c2ccccc2 7a_100000744939_100000230085 [0,0,0,1,0,0|1,0,1]=3 1845 B15R2.16436 O=C(CC1CC1(F)F)c2ccccc2 1458a_100000185807_100009817841 [0,0,0,1,0,0|3,0,0]=4 1846 B15R2.16436 O=C(NC1CC1(F)F)c2ccccc2 1626a_100020610826_100000185807 [0,0,0,1,0,0|3,0,0]=4 1847 B15R2.16436 O=C(NC1CC1(F)F)c2ccccc2 240690a_100020610826_100000185807 [0,0,0,1,0,0|3,0,0]=4 1848 B15R2.16436 O=C(NC1CC1(F)F)c2ccccc2 527a_100020610826_100000185807 [0,0,0,1,0,0|3,0,0]=4 1849 B15R2.16442 CC(=NNCC1CC1)c2ccccc2 4a_100000736359_100000185851 [0,0,0,1,0,0|3,0,0]=4 1850 B15R2.16442 CC(NCCC1CC1)c2ccccc2 269862a_100000764129_100000185851 [0,0,0,1,0,0|2,0,1]=4 1851 B15R2.16442 CC(NCCC1CC1)c2ccccc2 34a_100000764129_100000211855 [0,0,0,1,0,0|2,0,1]=4 1852 B15R2.16442 CC(OCCC1CC1)c2ccccc2 34a_100000754188_100000211855 [0,0,0,1,0,0|1,0,1]=3 1853 B15R2.16442 CC(OCCC1CC1)c2ccccc2 7a_100000754188_100000230085 [0,0,0,1,0,0|1,0,1]=3 1854 B15R2.16442 CC(OCC[C@@H]1CO1)c2ccccc2 34a_100009820653_100000211855 [0,0,0,1,0,0|2,0,1]=4 1855 B15R2.16442 CC(SCCC1CC1)c2ccccc2 62a_100000230085_100000764125 [0,0,0,1,0,0|1,1,1]=4 1856 B15R2.16442 CC(SCCC1CC1)c2ccccc2 62a_100000764125_100000230085 [0,0,0,1,0,0|1,1,1]=4 1857 B15R2.16442 C[C@@H](NCCC1CC1)c2ccccc2 2230a_100000751104_100000694398 [0,0,0,1,0,0|2,0,1]=4 1858 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 34a_100000761318_100000694398 [0,0,0,1,0,0|1,0,1]=3 1859 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 7a_100000761318_100000764125 [0,0,0,1,0,0|1,0,1]=3 1860 B15R2.16442 C[C@@H](OCCC1CO1)c2ccccc2 34a_100000761318_100000732470 [0,0,0,1,0,0|2,0,1]=4 1861 B15R2.16442 C[C@@H](OCCC1CO1)c2ccccc2 7a_100000761318_100000732470 [0,0,0,1,0,0|2,0,1]=4 1862 B15R2.16442 O=C(CC#CC1CC1)c2ccccc2 1458a_100000185807_100009895102 [0,0,0,1,0,0|1,0,2]=4 1863 B15R2.16442 O=C(CCCC1CO1)c2ccccc2 1458a_100000185807_100000733510 [0,0,0,1,0,0|2,0,0]=3 1864 B15R2.16442 O=C(CCSC1CC1)c2ccccc2 62a_100000750707_100000211595 [0,0,0,1,0,0|2,0,0]=3 1865 B15R2.16442 O=C(CNCC1CC1)c2ccccn2 34a_100000735609_100000027445 [0,0,0,1,0,0|3,0,0]=4 1866 B15R2.16442 O=C(COCC1CC1)c2ccccn2 34a_100000211283_100000027445 [0,0,0,1,0,0|3,0,0]=4 1867 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000211460_100000742324 [0,0,0,1,0,0|2,0,0]=3 1868 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000756562_100000211460 [0,0,0,1,0,0|2,0,0]=3 1869 B15R2.16442 O=C(CSCC1CC1)c2ccccn2 62a_100000027445_100000742324 [0,0,0,1,0,0|3,0,0]=4 1870 B15R2.16442 O=C(CSCC1CC1)c2ccccn2 62a_100000756562_100000027445 [0,0,0,1,0,0|3,0,0]=4 1871 B15R2.16442 O=C(CSCC1CC1)c2cccnc2 62a_100000756562_100000757877 [0,0,0,1,0,0|3,0,0]=4 1872 B15R2.16442 O=C(CSCC1CC1)c2cccnc2 62a_100000757877_100000742324 [0,0,0,1,0,0|3,0,0]=4 1873 B15R2.16442 O=C(CSCC1CC1)c2ccncc2 62a_100000027454_100000742324 [0,0,0,1,0,0|3,0,0]=4 1874 B15R2.16442 O=C(CSCC1CC1)c2ccncc2 62a_100000756562_100000027454 [0,0,0,1,0,0|3,0,0]=4 1875 B15R2.16442 O=C(CSCC1CO1)c2ccccc2 62a_100000211460_102125554688 [0,0,0,1,0,0|3,0,0]=4 1876 B15R2.16442 O=C(CSCC1CO1)c2ccccc2 62a_102125554688_100000211460 [0,0,0,1,0,0|3,0,0]=4 1877 B15R2.16442 O=C(CSCC1CS1)c2ccccc2 62a_100000031435_100000211460 [0,0,0,1,0,0|3,0,0]=4 1878 B15R2.16442 O=C(CSCC1CS1)c2ccccc2 62a_100000211460_100000031435 [0,0,0,1,0,0|3,0,0]=4 1879 B15R2.16442 O=C(CSC[C@@H]1CO1)c2ccccc2 62a_100000211460_100000745022 [0,0,0,1,0,0|3,0,0]=4 1880 B15R2.16442 O=C(CSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000211460 [0,0,0,1,0,0|3,0,0]=4 1881 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 1626a_100000764129_100000185807 [0,0,0,1,0,0|1,0,0]=2 1882 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 240690a_100000764129_100000185807 [0,0,0,1,0,0|1,0,0]=2 1883 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 527a_100000764129_100000185807 [0,0,0,1,0,0|1,0,0]=2 1884 B15R2.16442 O=C(NN=CC1CC1)c2ccccc2 4a_100000184135_100000741477 [0,0,0,1,0,0|2,0,1]=4 1885 B15R2.16442 O=C(NNCC1CC1)c2ccccc2 22a_100000736359_100000185807 [0,0,0,1,0,0|2,0,0]=3 1886 B15R2.16442 O=C(OCSC1CC1)c2ccccc2 62a_100000073877_100000211595 [0,0,0,1,0,0|1,0,0]=2 1887 B15R2.16442 O=S(CSCC1CC1)c2ccccc2 62a_100000756562_100000031784 [0,0,0,1,0,0|3,0,0]=4 1888 B15R2.53147 CC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200000210301 [0,0,0,1,0,0|2,0,1]=4 1889 B15R2.53147 CC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200000210301 [0,0,0,1,0,0|1,0,1]=3 1890 B15R2.53147 CC(C)NC1CC(=O)c2c1cccc2 2230a_100138425928_100010208147 [0,0,0,1,0,0|2,0,0]=3 1891 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [0,0,0,1,0,0|1,0,0]=2 1892 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100000210206_100010208147 [0,0,0,1,0,0|2,0,0]=3 1893 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000210206 [0,0,0,1,0,0|2,0,0]=3 1894 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [0,0,0,1,0,0|1,0,0]=2 1895 B15R2.53147 [13CH3]C(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200025704644 [0,0,0,1,0,0|2,0,1]=4 1896 B15R2.53147 [13CH3]C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200025704644 [0,0,0,1,0,0|1,0,1]=3 1897 B15R2.68818 CC(C)CCOC1Cc2c1cccc2 7a_100000210254_100009813401 [0,0,0,1,0,0|1,0,1]=3 1898 B15R2.68818 CC(C)CCSC1Cc2c1cccc2 62a_100000210312_100009813401 [0,0,0,1,0,0|1,1,1]=4 1899 B15R2.68818 CC(C)CCSC1Cc2c1cccc2 62a_100009813401_100000210312 [0,0,0,1,0,0|1,1,1]=4 1900 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,0,0,0,1,0|0,0,2]=3 1901 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,0,0,0,1,0|1,0,2]=4 1902 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,0,0,0,1,0|1,0,2]=4 1903 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,0,0,0,1,0|1,0,2]=4 1904 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,0,0,0,1,0|1,0,2]=4 1905 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,0,0,0,1,0|0,0,2]=3 1906 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [0,0,0,0,1,0|3,0,0]=4 1907 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,1,0|1,0,1]=3 1908 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,1,0|2,0,1]=4 1909 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,1,0|1,0,1]=3 1910 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,0,0,0,1,0|2,0,1]=4 1911 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,0,0,0,1,0|0,0,0]=1 1912 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,0,0,0,1,0|2,0,0]=3 1913 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,0,0,0,1,0|2,0,0]=3 1914 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,0,0,0,1,0|2,0,0]=3 1915 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,0,0,0,1,0|1,0,0]=2 1916 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,0,0,0,1,0|1,0,0]=2 1917 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,0,0,0,1,0|1,0,0]=2 1918 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,0,0,0,1,0|1,0,0]=2 1919 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,0,0,0,1,0|2,0,1]=4 1920 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,0,0,0,1,0|2,0,1]=4 1921 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,0,0,0,1,0|2,0,1]=4 1922 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,0,0,0,1,0|2,0,1]=4 1923 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,0,0,0,1,0|2,0,1]=4 1924 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,0,0,0,1,0|1,0,1]=3 1925 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,0,0,0,1,0|1,0,1]=3 1926 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,0,0,0,1,0|1,0,1]=3 1927 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,0,0,0,1,0|1,1,1]=4 1928 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,0,0,0,1,0|1,1,1]=4 1929 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [0,0,0,0,1,0|2,0,0]=3 1930 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,0,0,0,1,0|2,0,1]=4 1931 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,0,0,0,1,0|2,0,1]=4 1932 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,0,0,0,1,0|2,0,1]=4 1933 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,0,0,0,1,0|2,0,1]=4 1934 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,0,0,0,1,0|1,0,2]=4 1935 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,0,0,0,1,0|1,0,2]=4 1936 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,0,0,0,1,0|1,0,2]=4 1937 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,0,0,0,1,0|1,0,2]=4 1938 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,0,0,0,1,0|1,0,2]=4 1939 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [0,0,0,0,1,0|2,0,0]=3 1940 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [0,0,0,0,1,0|2,0,0]=3 1941 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,0,0,0,1,0|2,0,1]=4 1942 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,0,0,0,1,0|2,0,1]=4 1943 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,0,0,0,1,0|2,0,1]=4 1944 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,0,0,0,1,0|1,0,2]=4 1945 B13R1.45 CC(C)OCN(C)c1ccccc1 2230a_100000210012_100000709892 [0,0,0,0,1,0|3,0,0]=4 1946 B13R1.45 CC(C)OCN(C)c1ccccc1 269982a_100000210012_100000709892 [0,0,0,0,1,0|3,0,0]=4 1947 B13R1.45 CC(C)OCN(C)c1ccccc1 34a_100000210012_100000709892 [0,0,0,0,1,0|3,0,0]=4 1948 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,1,0|2,0,1]=4 1949 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,0,0,0,1,0|1,0,2]=4 1950 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,0,0,0,1,0|1,0,0]=2 1951 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,0,0,0,1,0|1,0,0]=2 1952 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [0,0,0,0,1,0|2,0,0]=3 1953 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [0,0,0,0,1,0|2,0,0]=3 1954 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [0,0,0,0,1,0|2,0,0]=3 1955 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [0,0,0,0,1,0|2,0,0]=3 1956 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [0,0,0,0,1,0|2,0,0]=3 1957 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [0,0,0,0,1,0|2,0,0]=3 1958 B13R1.45 CC(C)SCC(=O)c1ncccn1 62a_100000210206_100020636365 [0,0,0,0,1,0|3,0,0]=4 1959 B13R1.45 CC(C)SCC(=O)c1ncccn1 62a_100020636365_100000210206 [0,0,0,0,1,0|3,0,0]=4 1960 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,0,0,0,1,0|2,0,1]=4 1961 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,0,0,0,1,0|2,0,1]=4 1962 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,0,0,0,1,0|1,0,2]=4 1963 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,0,0,0,1,0|1,0,2]=4 1964 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [0,0,0,0,1,0|2,0,0]=3 1965 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,0,0,0,1,0|1,0,2]=4 1966 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,0,0,0,1,0|1,0,2]=4 1967 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,0,0,0,1,0|2,0,1]=4 1968 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,0,0,0,1,0|2,0,1]=4 1969 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,0,0,0,1,0|1,0,0]=2 1970 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,0,0,0,1,0|3,0,0]=4 1971 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,0,0,0,1,0|3,0,0]=4 1972 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,0,0,0,1,0|3,0,0]=4 1973 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,0,0,0,1,0|2,0,0]=3 1974 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,0,0,0,1,0|2,0,0]=3 1975 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,0,0,0,1,0|2,0,0]=3 1976 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,0,0,0,1,0|2,0,1]=4 1977 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,0,0,0,1,0|2,0,1]=4 1978 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,0,0,0,1,0|2,0,1]=4 1979 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,0,0,0,1,0|2,0,1]=4 1980 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,0,0,0,1,0|1,0,0]=2 1981 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,0,0,0,1,0|1,0,0]=2 1982 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,0,0,0,1,0|1,0,2]=4 1983 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,0,0,0,1,0|1,0,2]=4 1984 B13R1.45 CN(C)CCN(C)c1ccccc1 2230a_106657271745_200000210301 [0,0,0,0,1,0|3,0,0]=4 1985 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_100000210012_100000755713 [0,0,0,0,1,0|3,0,0]=4 1986 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_106657271745_200000210301 [0,0,0,0,1,0|3,0,0]=4 1987 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_200000219566_200000210301 [0,0,0,0,1,0|3,0,0]=4 1988 B13R1.45 CN(C)CCN([13CH3])c1ccccc1 269982a_200000219566_200025704644 [0,0,0,0,1,0|3,0,0]=4 1989 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [0,0,0,0,1,0|2,0,0]=3 1990 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [0,0,0,0,1,0|2,0,0]=3 1991 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,0,0,0,1,0|1,0,2]=4 1992 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,0,0,0,1,0|1,0,2]=4 1993 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [0,0,0,0,1,0|1,0,0]=2 1994 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,0,0,0,1,0|1,0,2]=4 1995 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,0,0,0,1,0|1,0,2]=4 1996 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 2230a_106657271745_200025704644 [0,0,0,0,1,0|3,0,0]=4 1997 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 269982a_106657271745_200025704644 [0,0,0,0,1,0|3,0,0]=4 1998 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,0,0,0,1,0|2,0,1]=4 1999 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,0,0,0,1,0|2,0,1]=4 2000 B13R1.45 O=C(NCC(F)F)c1ccccc1 11a_100000765723_100000185807 [0,0,0,0,1,0|3,0,0]=4 2001 B13R1.45 O=C(NCC(F)F)c1ccccc1 1626a_100000765723_100000185807 [0,0,0,0,1,0|3,0,0]=4 2002 B13R1.45 O=C(NCC(F)F)c1ccccc1 240690a_100000765723_100000185807 [0,0,0,0,1,0|3,0,0]=4 2003 B13R1.45 O=C(NCC(F)F)c1ccccc1 527a_100000765723_100000185807 [0,0,0,0,1,0|3,0,0]=4 2004 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,1,0|2,0,1]=4 2005 B13R1.342 CC(C)CCOC(C)c1ccsc1 34a_100011350980_100000210312 [0,0,0,0,1,0|2,0,1]=4 2006 B13R1.342 CC(C)CCOC(C)c1ccsc1 7a_100011350980_100000210626 [0,0,0,0,1,0|2,0,1]=4 2007 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 34a_100000755270_100000210312 [0,0,0,0,1,0|2,0,1]=4 2008 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 7a_100000755270_100000210626 [0,0,0,0,1,0|2,0,1]=4 2009 B13R1.342 CC(C)CCO[C@H](C)c1cccs1 7a_100000750433_100000210626 [0,0,0,0,1,0|2,0,1]=4 2010 B13R1.342 CC(C)CNCC(=O)c1cccs1 2230a_100000210953_100000211436 [0,0,0,0,1,0|3,0,0]=4 2011 B13R1.342 CC(C)CNCC(=O)c1ccsc1 2230a_100000210953_100011219462 [0,0,0,0,1,0|3,0,0]=4 2012 B13R1.342 CC(C)CNCC(=O)c1ccsc1 34a_100000210953_100011219462 [0,0,0,0,1,0|3,0,0]=4 2013 B13R1.342 CC(C)COCC(=O)c1ccsc1 34a_100000210257_100011219462 [0,0,0,0,1,0|3,0,0]=4 2014 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_100000210624_200011262396 [0,0,0,0,1,0|3,0,0]=4 2015 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000210760 [0,0,0,0,1,0|3,0,0]=4 2016 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000210624_100000211439 [0,0,0,0,1,0|3,0,0]=4 2017 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000211439_100000210760 [0,0,0,0,1,0|3,0,0]=4 2018 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000210624_100000211436 [0,0,0,0,1,0|3,0,0]=4 2019 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000211436_100000210760 [0,0,0,0,1,0|3,0,0]=4 2020 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100000210624_100011219462 [0,0,0,0,1,0|3,0,0]=4 2021 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100011219462_100000210760 [0,0,0,0,1,0|3,0,0]=4 2022 B13R1.342 CC(C)NCCC(=O)c1cccs1 2230a_100138425928_100011290775 [0,0,0,0,1,0|3,0,0]=4 2023 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100000210206_100011290775 [0,0,0,0,1,0|3,0,0]=4 2024 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100011290775_100000210206 [0,0,0,0,1,0|3,0,0]=4 2025 B15R1.497 C=C(C)CCOCC(=O)c1ccccn1 34a_100000764851_100000027445 [0,0,0,0,0,1|1,0,2]=4 2026 B15R1.497 C=C(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000730704 [0,0,0,0,0,1|0,1,2]=4 2027 B15R1.497 C=C(C)CCSCC(=O)c1ccccc1 62a_100000730704_100000211460 [0,0,0,0,0,1|0,1,2]=4 2028 B15R1.497 C=C(C)CSCCC(=O)c1ccccc1 62a_100000748629_100000750707 [0,0,0,0,0,1|1,0,2]=4 2029 B15R1.497 C=C(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000211660 [0,0,0,0,0,1|1,0,2]=4 2030 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000211660 [0,0,0,0,0,1|0,0,2]=3 2031 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000748629_100000073877 [0,0,0,0,0,1|0,0,2]=3 2032 B15R1.497 C=C(F)CSCOC(=O)c1ccccc1 62a_100000042424_100000073877 [0,0,0,0,0,1|1,0,2]=4 2033 B15R1.497 C=C(F)CSCOC(=O)c1ccccc1 62a_100000073877_100000042424 [0,0,0,0,0,1|1,0,2]=4 2034 B15R1.497 CC(=CCCO[C@H](C)c1ccccc1)C 34a_100000761318_100011217483 [0,0,0,0,0,1|1,0,2]=4 2035 B15R1.497 CC(=CCCO[C@H](C)c1ccccc1)C 7a_100000761318_100011217483 [0,0,0,0,0,1|1,0,2]=4 2036 B15R1.497 CC(=CCOCC(=O)c1ccccn1)C 34a_100000753907_100000027445 [0,0,0,0,0,1|1,0,2]=4 2037 B15R1.497 CC(=CCSCC(=O)c1ccccc1)C 62a_100000211460_100000761012 [0,0,0,0,0,1|0,1,2]=4 2038 B15R1.497 CC(=CCSCC(=O)c1ccccc1)C 62a_100000761012_100000211460 [0,0,0,0,0,1|0,1,2]=4 2039 B15R1.497 CC(=O)CCCCC(=O)c1ccccc1 1458a_100000185807_100000735457 [0,0,0,0,0,1|2,0,1]=4 2040 B15R1.497 CC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200000210301 [0,0,0,0,0,1|2,0,1]=4 2041 B15R1.497 CC(=O)CCCOC(=O)c1ccccc1 1458a_100000070787_200009892979 [0,0,0,0,0,1|1,0,1]=3 2042 B15R1.497 CC(=O)CCOCC(=O)c1ccccc1 7a_100000759926_100000211460 [0,0,0,0,0,1|1,0,1]=3 2043 B15R1.497 CC(=O)CCOCC(=O)c1ccccn1 34a_100000759926_100000027445 [0,0,0,0,0,1|2,0,1]=4 2044 B15R1.497 CC(=O)CCOCC(=O)c1ccccn1 7a_100000759926_100000027445 [0,0,0,0,0,1|2,0,1]=4 2045 B15R1.497 CC(=O)CCOCC(=O)c1ccncc1 7a_100000759926_100015248511 [0,0,0,0,0,1|2,0,1]=4 2046 B15R1.497 CC(=O)CCSCC(=O)c1ccccc1 62a_100000053229_100000211460 [0,0,0,0,0,1|1,1,1]=4 2047 B15R1.497 CC(=O)CCSCC(=O)c1ccccc1 62a_100000211460_100000053229 [0,0,0,0,0,1|1,1,1]=4 2048 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 11a_100000736134_100015343762 [0,0,0,0,0,1|2,0,1]=4 2049 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 1626a_100000736134_100015343762 [0,0,0,0,0,1|2,0,1]=4 2050 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 240690a_100000209853_100000185807 [0,0,0,0,0,1|2,0,1]=4 2051 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 240690a_100000736134_100015343762 [0,0,0,0,0,1|2,0,1]=4 2052 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 527a_100000209853_100000185807 [0,0,0,0,0,1|2,0,1]=4 2053 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 527a_100000736134_100103153847 [0,0,0,0,0,1|2,0,1]=4 2054 B15R1.497 CC(=O)OCCCC(=O)c1ccccc1 1458a_100000185807_100000042594 [0,0,0,0,0,1|2,0,1]=4 2055 B15R1.497 CC(=O)OCCNC(=O)c1ccccc1 11a_100000724843_100000185807 [0,0,0,0,0,1|2,0,1]=4 2056 B15R1.497 CC(=O)OCCNC(=O)c1ccccc1 240690a_100000724843_100000185807 [0,0,0,0,0,1|2,0,1]=4 2057 B15R1.497 CC(=O)OCCNC(=O)c1ccccc1 527a_100000724843_100000185807 [0,0,0,0,0,1|2,0,1]=4 2058 B15R1.497 CC(=O)SCCCC(=O)c1ccccc1 1458a_100000185807_100000038929 [0,0,0,0,0,1|2,0,1]=4 2059 B15R1.497 CC(=O)SCCNC(=O)c1ccccc1 11a_100020647217_100000185807 [0,0,0,0,0,1|2,0,1]=4 2060 B15R1.497 CC(=O)SCCNC(=O)c1ccccc1 240690a_100020647217_100000185807 [0,0,0,0,0,1|2,0,1]=4 2061 B15R1.497 CC(=O)SCCNC(=O)c1ccccc1 527a_100020647217_100000185807 [0,0,0,0,0,1|2,0,1]=4 2062 B15R1.497 CC(=S)OCCCC(=O)c1ccccc1 1458a_100000185807_200135323944 [0,0,0,0,0,1|2,0,1]=4 2063 B15R1.497 CC(Br)CCOCC(=O)c1ccccn1 34a_100009893172_100000027445 [0,0,0,0,0,1|2,0,0]=3 2064 B15R1.497 CC(Br)CCOCC(C)c1ccccc1 34a_100009893172_100000756946 [0,0,0,0,0,1|2,0,1]=4 2065 B15R1.497 CC(Br)CCOCC(O)c1ccccc1 34a_100009893172_100000185958 [0,0,0,0,0,1|1,0,2]=4 2066 B15R1.497 CC(Br)CCOC[C@@H](O)c1ccccc1 34a_100009893172_100011933945 [0,0,0,0,0,1|1,0,2]=4 2067 B15R1.497 CC(C)CC=NNC(=O)c1ccccc1 4a_100000184135_100000185833 [0,0,0,0,0,1|1,0,1]=3 2068 B15R1.497 CC(C)CC=NNC(=O)c1ccccn1 4a_100000184044_100000185833 [0,0,0,0,0,1|2,0,1]=4 2069 B15R1.497 CC(C)CC=NNC(=O)c1cccnc1 4a_100000189771_100000185833 [0,0,0,0,0,1|2,0,1]=4 2070 B15R1.497 CC(C)CC=NNC(=O)c1ccncc1 4a_100000189768_100000185833 [0,0,0,0,0,1|2,0,1]=4 2071 B15R1.497 CC(C)CCCCC(=O)c1ccccc1 1458a_100000185807_100011216152 [0,0,0,0,0,1|1,0,0]=2 2072 B15R1.497 CC(C)CCCCN(C)c1ccccc1 2230a_100000210012_100011216152 [0,0,0,0,0,1|3,0,0]=4 2073 B15R1.497 CC(C)CCCCN(C)c1ccccc1 269982a_100000210012_100011216152 [0,0,0,0,0,1|3,0,0]=4 2074 B15R1.497 CC(C)CCCCN(C)c1ccccc1 34a_100000210012_100011216152 [0,0,0,0,0,1|3,0,0]=4 2075 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 11a_200000737386_100000185807 [0,0,0,0,0,1|1,0,0]=2 2076 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 1626a_200000737386_100000185807 [0,0,0,0,0,1|1,0,0]=2 2077 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 240690a_200000737386_100000185807 [0,0,0,0,0,1|1,0,0]=2 2078 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 527a_200000737386_100000185807 [0,0,0,0,0,1|1,0,0]=2 2079 B15R1.497 CC(C)CCCNC(C)c1ccccc1 2230a_200000737386_100000230085 [0,0,0,0,0,1|2,0,1]=4 2080 B15R1.497 CC(C)CCCNC(C)c1ccccc1 269862a_200000737386_100000185851 [0,0,0,0,0,1|2,0,1]=4 2081 B15R1.497 CC(C)CCCNC(C)c1ccccc1 34a_200000737386_100000211855 [0,0,0,0,0,1|2,0,1]=4 2082 B15R1.497 CC(C)CCCN[C@H](C)c1ccccc1 2230a_100000751104_100011214892 [0,0,0,0,0,1|2,0,1]=4 2083 B15R1.497 CC(C)CCCOC(C)c1ccccc1 34a_100000210774_100000211855 [0,0,0,0,0,1|1,0,1]=3 2084 B15R1.497 CC(C)CCCOC(C)c1ccccc1 7a_100000210774_100000230085 [0,0,0,0,0,1|1,0,1]=3 2085 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 34a_100000761318_100011214892 [0,0,0,0,0,1|1,0,1]=3 2086 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 7a_100000761318_100011214892 [0,0,0,0,0,1|1,0,1]=3 2087 B15R1.497 CC(C)CCCSC(C)c1ccccc1 62a_100000230085_100011214892 [0,0,0,0,0,1|1,1,1]=4 2088 B15R1.497 CC(C)CCCSC(C)c1ccccc1 62a_100011214892_100000230085 [0,0,0,0,0,1|1,1,1]=4 2089 B15R1.497 CC(C)CCNCC(C)c1ccccc1 2230a_100000701038_100000210312 [0,0,0,0,0,1|2,0,1]=4 2090 B15R1.497 CC(C)CCNCC(C)c1ccccc1 269862a_100000701038_100000185833 [0,0,0,0,0,1|2,0,1]=4 2091 B15R1.497 CC(C)CCNCC(C)c1ccccc1 270004a_100000210545_100000212034 [0,0,0,0,0,1|2,0,1]=4 2092 B15R1.497 CC(C)CCNCC(C)c1ccccc1 34a_100000701038_100000210312 [0,0,0,0,0,1|2,0,1]=4 2093 B15R1.497 CC(C)CCNCC(O)c1ccccc1 2230a_100000210709_100000210312 [0,0,0,0,0,1|1,0,2]=4 2094 B15R1.497 CC(C)CCNCC(O)c1ccccc1 269862a_100000210709_100000185833 [0,0,0,0,0,1|1,0,2]=4 2095 B15R1.497 CC(C)CCOCC(=O)c1ccccc1 7a_100000210254_100000211460 [0,0,0,0,0,1|0,0,0]=1 2096 B15R1.497 CC(C)CCOCC(=O)c1ccccn1 34a_100000210254_100000027445 [0,0,0,0,0,1|1,0,0]=2 2097 B15R1.497 CC(C)CCOCC(=O)c1ccccn1 7a_100000210254_100000027445 [0,0,0,0,0,1|1,0,0]=2 2098 B15R1.497 CC(C)CCOCC(=O)c1ccncc1 7a_100000210254_100015248511 [0,0,0,0,0,1|1,0,0]=2 2099 B15R1.497 CC(C)CCOCC(C)c1ccccc1 34a_100000210254_100000756946 [0,0,0,0,0,1|1,0,1]=3 2100 B15R1.497 CC(C)CCOCC(C)c1ccccc1 34a_100011215166_100000210312 [0,0,0,0,0,1|1,0,1]=3 2101 B15R1.497 CC(C)CCOCC(C)c1ccccc1 7a_100000210254_100000756946 [0,0,0,0,0,1|1,0,1]=3 2102 B15R1.497 CC(C)CCOCC(C)c1ccccc1 7a_100011215166_100000210626 [0,0,0,0,0,1|1,0,1]=3 2103 B15R1.497 CC(C)CCOCC(O)c1ccccc1 34a_100000210254_100000185958 [0,0,0,0,0,1|0,0,2]=3 2104 B15R1.497 CC(C)CCOCC(O)c1ccccc1 7a_100000210254_100000185958 [0,0,0,0,0,1|0,0,2]=3 2105 B15R1.497 CC(C)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210312 [0,0,0,0,0,1|1,0,1]=3 2106 B15R1.497 CC(C)CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210312 [0,0,0,0,0,1|2,0,1]=4 2107 B15R1.497 CC(C)CCOC[C@@H](O)c1ccccc1 34a_100000210254_100011933945 [0,0,0,0,0,1|0,0,2]=3 2108 B15R1.497 CC(C)CCOC[C@@H](O)c1ccccc1 7a_100000210254_100011933945 [0,0,0,0,0,1|0,0,2]=3 2109 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000210312_100000211460 [0,0,0,0,0,1|0,1,0]=2 2110 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000210312 [0,0,0,0,0,1|0,1,0]=2 2111 B15R1.497 CC(C)CCSCC(=O)c1ccccn1 62a_100000027445_100000210312 [0,0,0,0,0,1|1,1,0]=3 2112 B15R1.497 CC(C)CCSCC(=O)c1ccccn1 62a_100000210312_100000027445 [0,0,0,0,0,1|1,1,0]=3 2113 B15R1.497 CC(C)CCSCC(=O)c1cccnc1 62a_100000210312_100000757877 [0,0,0,0,0,1|1,1,0]=3 2114 B15R1.497 CC(C)CCSCC(=O)c1cccnc1 62a_100000757877_100000210312 [0,0,0,0,0,1|1,1,0]=3 2115 B15R1.497 CC(C)CCSCC(=O)c1ccncc1 62a_100000027454_100000210312 [0,0,0,0,0,1|1,1,0]=3 2116 B15R1.497 CC(C)CCSCC(=O)c1ccncc1 62a_100000210312_100000027454 [0,0,0,0,0,1|1,1,0]=3 2117 B15R1.497 CC(C)CCSCC(=O)c1ncccn1 62a_100000210312_100020636365 [0,0,0,0,0,1|2,1,0]=4 2118 B15R1.497 CC(C)CCSCC(=O)c1ncccn1 62a_100020636365_100000210312 [0,0,0,0,0,1|2,1,0]=4 2119 B15R1.497 CC(C)CCSCC(C)c1ccccc1 62a_100000210312_100000756946 [0,0,0,0,0,1|1,1,1]=4 2120 B15R1.497 CC(C)CCSCC(C)c1ccccc1 62a_100000756946_100000210312 [0,0,0,0,0,1|1,1,1]=4 2121 B15R1.497 CC(C)CCSCC(O)c1ccccc1 62a_100000185958_100000210312 [0,0,0,0,0,1|0,1,2]=4 2122 B15R1.497 CC(C)CCSCC(O)c1ccccc1 62a_100000210312_100000185958 [0,0,0,0,0,1|0,1,2]=4 2123 B15R1.497 CC(C)CCSCS(=O)c1ccccc1 62a_100000210312_100000031784 [0,0,0,0,0,1|1,1,0]=3 2124 B15R1.497 CC(C)CCSC[C@@H](O)c1ccccc1 62a_100000210312_100011933945 [0,0,0,0,0,1|0,1,2]=4 2125 B15R1.497 CC(C)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210312 [0,0,0,0,0,1|0,1,2]=4 2126 B15R1.497 CC(C)CNCCC(=O)c1ccccc1 2230a_100000210953_100000750707 [0,0,0,0,0,1|1,0,0]=2 2127 B15R1.497 CC(C)CNCCC(C)c1ccccc1 270004a_100000210953_100000189432 [0,0,0,0,0,1|2,0,1]=4 2128 B15R1.497 CC(C)CNCCC(O)c1ccccc1 2230a_100000763605_100000210760 [0,0,0,0,0,1|1,0,2]=4 2129 B15R1.497 CC(C)CNCCC(O)c1ccccc1 270004a_100000763605_100000210432 [0,0,0,0,0,1|1,0,2]=4 2130 B15R1.497 CC(C)CNCCN(C)c1ccccc1 270004a_100000231046_100000210432 [0,0,0,0,0,1|3,0,0]=4 2131 B15R1.497 CC(C)CNCCS(=O)c1ccccc1 2230a_100000210953_100000740319 [0,0,0,0,0,1|2,0,0]=3 2132 B15R1.497 CC(C)CNCC[C@@H](O)c1ccccc1 2230a_100000210953_100000729684 [0,0,0,0,0,1|1,0,2]=4 2133 B15R1.497 CC(C)CNCC[C@@H](O)c1ccccc1 34a_100000210953_100000729684 [0,0,0,0,0,1|1,0,2]=4 2134 B15R1.497 CC(C)COCC[C@@H](O)c1ccccc1 34a_100000210257_100000729684 [0,0,0,0,0,1|1,0,2]=4 2135 B15R1.497 CC(C)COCC[C@H](N)c1ccccc1 34a_100025705951_100000210624 [0,0,0,0,0,1|2,0,1]=4 2136 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000210624_100000750707 [0,0,0,0,0,1|1,0,0]=2 2137 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000210760 [0,0,0,0,0,1|1,0,0]=2 2138 B15R1.497 CC(C)CSCCS(=O)c1ccccc1 62a_100000210624_100000740319 [0,0,0,0,0,1|2,0,0]=3 2139 B15R1.497 CC(C)CSCC[C@@H](O)c1ccccc1 62a_100000210624_100000729684 [0,0,0,0,0,1|1,0,2]=4 2140 B15R1.497 CC(C)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210760 [0,0,0,0,0,1|1,0,2]=4 2141 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000210760 [0,0,0,0,0,1|0,0,0]=1 2142 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000210624_100000073877 [0,0,0,0,0,1|0,0,0]=1 2143 B15R1.497 CC(C)NCCCC(=O)c1ccccc1 2230a_100138425928_100000211006 [0,0,0,0,0,1|1,0,0]=2 2144 B15R1.497 CC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000210206 [0,0,0,0,0,1|1,0,0]=2 2145 B15R1.497 CC(C)NCCNC(=O)c1ccncc1 2230a_200011198449_100000210206 [0,0,0,0,0,1|2,0,0]=3 2146 B15R1.497 CC(C)NCCOC(=O)c1ccccc1 34a_100138425928_100009812718 [0,0,0,0,0,1|0,0,0]=1 2147 B15R1.497 CC(C)NCCOC(C)c1ccccc1 34a_100000224655_100000211855 [0,0,0,0,0,1|1,0,1]=3 2148 B15R1.497 CC(C)OCCCC(N)c1ccccc1 34a_100000759318_100000210206 [0,0,0,0,0,1|2,0,1]=4 2149 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 11a_100000701111_100000185807 [0,0,0,0,0,1|1,0,0]=2 2150 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 1626a_100000701111_100000185807 [0,0,0,0,0,1|1,0,0]=2 2151 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 240690a_100000701111_100000185807 [0,0,0,0,0,1|1,0,0]=2 2152 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000210206 [0,0,0,0,0,1|1,0,0]=2 2153 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 527a_100000701111_100000185807 [0,0,0,0,0,1|1,0,0]=2 2154 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000210206 [0,0,0,0,0,1|1,0,0]=2 2155 B15R1.497 CC(C)OCCNC(C)c1ccccc1 2230a_100000701111_100000230085 [0,0,0,0,0,1|2,0,1]=4 2156 B15R1.497 CC(C)OCCNC(C)c1ccccc1 269862a_100000701111_100000185851 [0,0,0,0,0,1|2,0,1]=4 2157 B15R1.497 CC(C)OCCNC(C)c1ccccc1 34a_100000701111_100000211855 [0,0,0,0,0,1|2,0,1]=4 2158 B15R1.497 CC(C)OCCN[C@H](C)c1ccccc1 2230a_100000751104_100000211751 [0,0,0,0,0,1|2,0,1]=4 2159 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 34a_100000212225_100009812718 [0,0,0,0,0,1|0,0,0]=1 2160 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000210206 [0,0,0,0,0,1|0,0,0]=1 2161 B15R1.497 CC(C)OCCOC(C)c1ccccc1 34a_100000211219_100000211855 [0,0,0,0,0,1|1,0,1]=3 2162 B15R1.497 CC(C)OCCOC(C)c1ccccc1 7a_100000211219_100000230085 [0,0,0,0,0,1|1,0,1]=3 2163 B15R1.497 CC(C)OCCO[C@H](C)c1ccccc1 34a_100000761318_100000211751 [0,0,0,0,0,1|1,0,1]=3 2164 B15R1.497 CC(C)OCCO[C@H](C)c1ccccc1 7a_100000761318_100000211751 [0,0,0,0,0,1|1,0,1]=3 2165 B15R1.497 CC(C)OCCSC(C)c1ccccc1 62a_100000211751_100000230085 [0,0,0,0,0,1|1,1,1]=4 2166 B15R1.497 CC(C)OCCSC(C)c1ccccc1 62a_100000230085_100000211751 [0,0,0,0,0,1|1,1,1]=4 2167 B15R1.497 CC(C)OCOCC(C)c1ccccc1 34a_100011215166_100000709892 [0,0,0,0,0,1|2,0,1]=4 2168 B15R1.497 CC(C)OCOC[C@@H](N)c1ccccc1 34a_100000751927_100000709892 [0,0,0,0,0,1|2,0,1]=4 2169 B15R1.497 CC(C)OCSCC(=O)c1ccccc1 62a_100000211460_100000709892 [0,0,0,0,0,1|1,1,0]=3 2170 B15R1.497 CC(C)OCSCC(=O)c1ccccc1 62a_100000709892_100000211460 [0,0,0,0,0,1|1,1,0]=3 2171 B15R1.497 CC(C)OCSCC(=O)c1ccccn1 62a_100000027445_100000709892 [0,0,0,0,0,1|2,1,0]=4 2172 B15R1.497 CC(C)OCSCC(=O)c1ccccn1 62a_100000709892_100000027445 [0,0,0,0,0,1|2,1,0]=4 2173 B15R1.497 CC(C)OCSCC(=O)c1cccnc1 62a_100000709892_100000757877 [0,0,0,0,0,1|2,1,0]=4 2174 B15R1.497 CC(C)OCSCC(=O)c1cccnc1 62a_100000757877_100000709892 [0,0,0,0,0,1|2,1,0]=4 2175 B15R1.497 CC(C)OCSCC(=O)c1ccncc1 62a_100000027454_100000709892 [0,0,0,0,0,1|2,1,0]=4 2176 B15R1.497 CC(C)OCSCC(=O)c1ccncc1 62a_100000709892_100000027454 [0,0,0,0,0,1|2,1,0]=4 2177 B15R1.497 CC(C)OCSCS(=O)c1ccccc1 62a_100000709892_100000031784 [0,0,0,0,0,1|2,1,0]=4 2178 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000210206_100000211006 [0,0,0,0,0,1|1,0,0]=2 2179 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000210206 [0,0,0,0,0,1|1,0,0]=2 2180 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 11a_100000731138_100000185807 [0,0,0,0,0,1|1,0,0]=2 2181 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 1626a_100000731138_100000185807 [0,0,0,0,0,1|1,0,0]=2 2182 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 240690a_100000731138_100000185807 [0,0,0,0,0,1|1,0,0]=2 2183 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 527a_100000731138_100000185807 [0,0,0,0,0,1|1,0,0]=2 2184 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_100000210206_200011215302 [0,0,0,0,0,1|1,0,0]=2 2185 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000210206 [0,0,0,0,0,1|1,0,0]=2 2186 B15R1.497 CC(C)SCCNC(C)c1ccccc1 2230a_100000731138_100000230085 [0,0,0,0,0,1|2,0,1]=4 2187 B15R1.497 CC(C)SCCNC(C)c1ccccc1 269862a_100000731138_100000185851 [0,0,0,0,0,1|2,0,1]=4 2188 B15R1.497 CC(C)SCCNC(C)c1ccccc1 34a_100000731138_100000211855 [0,0,0,0,0,1|2,0,1]=4 2189 B15R1.497 CC(C)SCCN[C@H](C)c1ccccc1 2230a_100000751104_100000730970 [0,0,0,0,0,1|2,0,1]=4 2190 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100000210206_100009812718 [0,0,0,0,0,1|0,0,0]=1 2191 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000210206 [0,0,0,0,0,1|0,0,0]=1 2192 B15R1.497 CC(C)SCCOC(C)c1ccccc1 34a_200011212901_100000211855 [0,0,0,0,0,1|1,0,1]=3 2193 B15R1.497 CC(C)SCCOC(C)c1ccccc1 7a_200011212901_100000230085 [0,0,0,0,0,1|1,0,1]=3 2194 B15R1.497 CC(C)SCCO[C@H](C)c1ccccc1 34a_100000761318_100000730970 [0,0,0,0,0,1|1,0,1]=3 2195 B15R1.497 CC(C)SCCO[C@H](C)c1ccccc1 7a_100000761318_100000730970 [0,0,0,0,0,1|1,0,1]=3 2196 B15R1.497 CC(C)SCCSC(C)c1ccccc1 62a_100000230085_100000730970 [0,0,0,0,0,1|1,1,1]=4 2197 B15R1.497 CC(C)SCCSC(C)c1ccccc1 62a_100000730970_100000230085 [0,0,0,0,0,1|1,1,1]=4 2198 B15R1.497 CC(COCCN(C)C)c1ccccc1 7a_100011215166_100000755713 [0,0,0,0,0,1|2,0,1]=4 2199 B15R1.497 CC(COCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000756946 [0,0,0,0,0,1|2,0,1]=4 2200 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 34a_100000761318_200000718107 [0,0,0,0,0,1|2,0,1]=4 2201 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 7a_100000761318_200000718107 [0,0,0,0,0,1|2,0,1]=4 2202 B15R1.497 CC(O)CCOCC(C)c1ccccc1 34a_100011215166_100012276601 [0,0,0,0,0,1|2,0,1]=4 2203 B15R1.497 CC(O)CCOCC(C)c1ccccc1 7a_100011215166_100012276601 [0,0,0,0,0,1|2,0,1]=4 2204 B15R1.497 CC(O)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100012276601 [0,0,0,0,0,1|2,0,1]=4 2205 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100000211460_100012276601 [0,0,0,0,0,1|1,1,0]=3 2206 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100012276601_100000211460 [0,0,0,0,0,1|1,1,0]=3 2207 B15R1.497 CC(O)CCSCC(=O)c1ccccn1 62a_100000027445_100012276601 [0,0,0,0,0,1|2,1,0]=4 2208 B15R1.497 CC(O)CCSCC(=O)c1ccccn1 62a_100012276601_100000027445 [0,0,0,0,0,1|2,1,0]=4 2209 B15R1.497 CC(O)CCSCC(=O)c1cccnc1 62a_100000757877_100012276601 [0,0,0,0,0,1|2,1,0]=4 2210 B15R1.497 CC(O)CCSCC(=O)c1cccnc1 62a_100012276601_100000757877 [0,0,0,0,0,1|2,1,0]=4 2211 B15R1.497 CC(O)CCSCC(=O)c1ccncc1 62a_100000027454_100012276601 [0,0,0,0,0,1|2,1,0]=4 2212 B15R1.497 CC(O)CCSCC(=O)c1ccncc1 62a_100012276601_100000027454 [0,0,0,0,0,1|2,1,0]=4 2213 B15R1.497 CC(O)CCSCS(=O)c1ccccc1 62a_100012276601_100000031784 [0,0,0,0,0,1|2,1,0]=4 2214 B15R1.497 CC(O)CNCCC(=O)c1ccccc1 2230a_100000210904_100000750707 [0,0,0,0,0,1|2,0,0]=3 2215 B15R1.497 CC(O)CNCCS(=O)c1ccccc1 2230a_100000210904_100000740319 [0,0,0,0,0,1|3,0,0]=4 2216 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011218427 [0,0,0,0,0,1|2,0,0]=3 2217 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100011218427_100000750707 [0,0,0,0,0,1|2,0,0]=3 2218 B15R1.497 CC(O)CSCCS(=O)c1ccccc1 62a_100011218427_100000740319 [0,0,0,0,0,1|3,0,0]=4 2219 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218427 [0,0,0,0,0,1|1,0,0]=2 2220 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100011218427_100000073877 [0,0,0,0,0,1|1,0,0]=2 2221 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 240690a_102531767803_100000185807 [0,0,0,0,0,1|2,0,0]=3 2222 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 527a_102531767803_100000185807 [0,0,0,0,0,1|2,0,0]=3 2223 B15R1.497 CN(C)CCCOC(=O)c1ccccc1 269982a_100102631434_200009892979 [0,0,0,0,0,1|1,0,0]=2 2224 B15R1.497 CN(C)CCNNC(=O)c1ccccc1 22a_100000738145_100000185807 [0,0,0,0,0,1|2,0,0]=3 2225 B15R1.497 CN(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000755713 [0,0,0,0,0,1|1,1,0]=3 2226 B15R1.497 CN(C)CCSCC(=O)c1ccccn1 62a_100000027445_100000755713 [0,0,0,0,0,1|2,1,0]=4 2227 B15R1.497 CN(C)CCSCC(=O)c1cccnc1 62a_100000757877_100000755713 [0,0,0,0,0,1|2,1,0]=4 2228 B15R1.497 CN(C)CCSCC(=O)c1ccncc1 62a_100000027454_100000755713 [0,0,0,0,0,1|2,1,0]=4 2229 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 11a_200000753449_100000185807 [0,0,0,0,0,1|3,0,0]=4 2230 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 240690a_200000753449_100000185807 [0,0,0,0,0,1|3,0,0]=4 2231 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 527a_200000753449_100000185807 [0,0,0,0,0,1|3,0,0]=4 2232 B15R1.497 C[C@@H](N)CCOCC(=O)c1ccccn1 34a_100000706166_100000027445 [0,0,0,0,0,1|2,0,0]=3 2233 B15R1.497 C[C@@H](N)CCOCC(O)c1ccccc1 34a_100000706166_100000185958 [0,0,0,0,0,1|1,0,2]=4 2234 B15R1.497 C[C@@H](N)CCOC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [0,0,0,0,0,1|1,0,2]=4 2235 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100000750707_100009817552 [0,0,0,0,0,1|2,0,0]=3 2236 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100009817552_100000750707 [0,0,0,0,0,1|2,0,0]=3 2237 B15R1.497 C[C@@H](O)CSCCS(=O)c1ccccc1 62a_100009817552_100000740319 [0,0,0,0,0,1|3,0,0]=4 2238 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100000073877_100009817552 [0,0,0,0,0,1|1,0,0]=2 2239 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100009817552_100000073877 [0,0,0,0,0,1|1,0,0]=2 2240 B15R1.497 C[C@@H](OCCCN(C)C)c1ccccc1 7a_100000761318_100000757444 [0,0,0,0,0,1|2,0,1]=4 2241 B15R1.497 NC(=O)CCOCC(=O)c1ccccc1 7a_100000757172_100000211460 [0,0,0,0,0,1|2,0,1]=4 2242 B15R1.497 NC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747473 [0,0,0,0,0,1|2,0,1]=4 2243 B15R1.497 NC(=O)CSCOC(=O)c1ccccc1 62a_100000747473_100000073877 [0,0,0,0,0,1|2,0,1]=4 2244 B15R1.497 O=C(CCOCC(F)F)c1ccccc1 1458a_100000185807_200012177212 [0,0,0,0,0,1|3,0,0]=4 2245 B15R1.497 O=C(CCSCC(F)F)c1ccccc1 62a_100000750707_100011934356 [0,0,0,0,0,1|3,0,0]=4 2246 B15R1.497 O=C(CCSCC(F)F)c1ccccc1 62a_100011934356_100000750707 [0,0,0,0,0,1|3,0,0]=4 2247 B15R1.497 O=C(COCCC(F)F)c1ccccn1 34a_100103093639_100000027445 [0,0,0,0,0,1|3,0,0]=4 2248 B15R1.497 O=C(O)CNCOC(=O)c1ccccc1 269956a_100016091260_100000073877 [0,0,0,0,0,1|2,0,1]=4 2249 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100000073877_100011934356 [0,0,0,0,0,1|2,0,0]=3 2250 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100011934356_100000073877 [0,0,0,0,0,1|2,0,0]=3 2251 B15R1.497 O=C(OCSC[N+](=O)[O-])c1ccccc1 62a_100000073877_100000761209 [0,0,0,0,0,1|3,0,0]=4 2252 B15R1.497 O=C([O-])CSCOC(=O)c1ccccc1 62a_100000073877_100020667443 [0,0,0,0,0,1|2,0,1]=4 2253 B15R1.497 O=C([O-])CSCOC(=O)c1ccccc1 62a_100020667443_100000073877 [0,0,0,0,0,1|2,0,1]=4 2254 B15R1.497 [13CH3]C(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200025704644 [0,0,0,0,0,1|2,0,1]=4 2255 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 34a_200025717232_100000210624 [0,0,0,0,0,1|3,0,0]=4 2256 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 7a_200025717232_100000210760 [0,0,0,0,0,1|3,0,0]=4 2257 B15R1.1081 CC(=CCNC(=O)Nc1ccccc1)C 2430a_100000106764_100000718196 [0,0,0,0,0,1|1,0,2]=4 2258 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_100000070787_100011194425 [0,0,0,0,0,1|2,0,1]=4 2259 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200000210301 [0,0,0,0,0,1|2,0,1]=4 2260 B15R1.1081 CC(Br)CCOC(C)Cc1ccccc1 34a_100009893172_200011218536 [0,0,0,0,0,1|2,0,1]=4 2261 B15R1.1081 CC(Br)COCC(=O)Nc1ccccc1 34a_100012180447_100000182850 [0,0,0,0,0,1|3,0,0]=4 2262 B15R1.1081 CC(Br)COCC(=O)Oc1ccccc1 34a_100012180447_100009813826 [0,0,0,0,0,1|3,0,0]=4 2263 B15R1.1081 CC(C)/C=C/CC(=O)Cc1ccccc1 1458a_100016292215_100015291786 [0,0,0,0,0,1|1,0,2]=4 2264 B15R1.1081 CC(C)/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016292215 [0,0,0,0,0,1|1,0,2]=4 2265 B15R1.1081 CC(C)/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016292215 [0,0,0,0,0,1|1,0,2]=4 2266 B15R1.1081 CC(C)/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016292215 [0,0,0,0,0,1|1,0,2]=4 2267 B15R1.1081 CC(C)C=NNC(=O)Cc1ccccc1 4a_100000182964_100000210432 [0,0,0,0,0,1|2,0,1]=4 2268 B15R1.1081 CC(C)CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011214892 [0,0,0,0,0,1|2,0,0]=3 2269 B15R1.1081 CC(C)CCCC(=O)Cc1ccccc1 1458a_100011216857_100015291786 [0,0,0,0,0,1|1,0,0]=2 2270 B15R1.1081 CC(C)CCCC(=O)Cc1ccccn1 1458a_100000233486_100011214892 [0,0,0,0,0,1|2,0,0]=3 2271 B15R1.1081 CC(C)CCCC(=O)Cc1ccccn1 1458a_100011216857_100000721315 [0,0,0,0,0,1|2,0,0]=3 2272 B15R1.1081 CC(C)CCCC(=O)Cc1cccnc1 1458a_100000737805_100011214892 [0,0,0,0,0,1|2,0,0]=3 2273 B15R1.1081 CC(C)CCCC(=O)Cc1cccnc1 1458a_100011216857_100000733263 [0,0,0,0,0,1|2,0,0]=3 2274 B15R1.1081 CC(C)CCCC(=O)Cc1cccnn1 1458a_100011216857_100016990269 [0,0,0,0,0,1|3,0,0]=4 2275 B15R1.1081 CC(C)CCCC(=O)Cc1ccncc1 1458a_100011216857_100000705612 [0,0,0,0,0,1|2,0,0]=3 2276 B15R1.1081 CC(C)CCCC(=O)Cc1cnccn1 1458a_100011216857_100016995436 [0,0,0,0,0,1|3,0,0]=4 2277 B15R1.1081 CC(C)CCCC(=O)Cc1cncnc1 1458a_100000721575_100011214892 [0,0,0,0,0,1|3,0,0]=4 2278 B15R1.1081 CC(C)CCCC(=O)Cc1cncnc1 1458a_100011216857_100015196519 [0,0,0,0,0,1|3,0,0]=4 2279 B15R1.1081 CC(C)CCCC(=O)Cc1ncccn1 1458a_100011216857_100000703007 [0,0,0,0,0,1|3,0,0]=4 2280 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100011216857 [0,0,0,0,0,1|1,0,0]=2 2281 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100011216857 [0,0,0,0,0,1|1,0,0]=2 2282 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100011216857 [0,0,0,0,0,1|1,0,0]=2 2283 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100011216857 [0,0,0,0,0,1|1,0,0]=2 2284 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 2230a_100000186898_100011214892 [0,0,0,0,0,1|3,0,0]=4 2285 B15R1.1081 CC(C)CCCN(C)Cc1ccccc1 269982a_100000186898_100011214892 [0,0,0,0,0,1|3,0,0]=4 2286 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 11a_100000210545_200000086051 [0,0,0,0,0,1|2,0,0]=3 2287 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 240690a_100000210545_200000086051 [0,0,0,0,0,1|2,0,0]=3 2288 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 527a_100000210545_200000086051 [0,0,0,0,0,1|2,0,0]=3 2289 B15R1.1081 CC(C)CCNC(=O)Cc1ccccn1 11a_100000210545_100000233486 [0,0,0,0,0,1|2,0,0]=3 2290 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 11a_100000210545_100000737805 [0,0,0,0,0,1|2,0,0]=3 2291 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 240690a_100000210545_100000737805 [0,0,0,0,0,1|2,0,0]=3 2292 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 527a_100000210545_100000737805 [0,0,0,0,0,1|2,0,0]=3 2293 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 11a_100000210545_100011201483 [0,0,0,0,0,1|2,0,0]=3 2294 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 240690a_100000210545_100011201483 [0,0,0,0,0,1|2,0,0]=3 2295 B15R1.1081 CC(C)CCNC(=O)Cc1cnccn1 11a_100000210545_100000726051 [0,0,0,0,0,1|3,0,0]=4 2296 B15R1.1081 CC(C)CCNC(=O)Cc1cnccn1 240690a_100000210545_100000726051 [0,0,0,0,0,1|3,0,0]=4 2297 B15R1.1081 CC(C)CCNC(=O)Cc1cnccn1 527a_100000210545_100000726051 [0,0,0,0,0,1|3,0,0]=4 2298 B15R1.1081 CC(C)CCNC(=O)Cc1cncnc1 11a_100000210545_100000721575 [0,0,0,0,0,1|3,0,0]=4 2299 B15R1.1081 CC(C)CCNC(=O)Cc1cncnc1 240690a_100000210545_100000721575 [0,0,0,0,0,1|3,0,0]=4 2300 B15R1.1081 CC(C)CCNC(=O)Cc1cncnc1 527a_100000210545_100000721575 [0,0,0,0,0,1|3,0,0]=4 2301 B15R1.1081 CC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210545 [0,0,0,0,0,1|1,0,0]=2 2302 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000210254_200011218536 [0,0,0,0,0,1|1,0,1]=3 2303 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000210312 [0,0,0,0,0,1|1,0,1]=3 2304 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000210254_200011218536 [0,0,0,0,0,1|1,0,1]=3 2305 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000210626 [0,0,0,0,0,1|1,0,1]=3 2306 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_100000210312_200011218536 [0,0,0,0,0,1|1,1,1]=4 2307 B15R1.1081 CC(C)CCSC(C)Cc1ccccc1 62a_200011218536_100000210312 [0,0,0,0,0,1|1,1,1]=4 2308 B15R1.1081 CC(C)CNCC(=O)Cc1ccccc1 2230a_100000210953_100000233483 [0,0,0,0,0,1|2,0,0]=3 2309 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 2230a_100000210953_100000182850 [0,0,0,0,0,1|2,0,0]=3 2310 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 270004a_100000742222_100000210432 [0,0,0,0,0,1|2,0,0]=3 2311 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 34a_100000210953_100000182850 [0,0,0,0,0,1|2,0,0]=3 2312 B15R1.1081 CC(C)CNCC(=O)Nc1ccccn1 2230a_100000210953_100020662008 [0,0,0,0,0,1|3,0,0]=4 2313 B15R1.1081 CC(C)CNCC(=O)Nc1ccncc1 2230a_100000210953_100000754145 [0,0,0,0,0,1|3,0,0]=4 2314 B15R1.1081 CC(C)CNCC(=O)Oc1ccccc1 2230a_100000210953_100009813826 [0,0,0,0,0,1|2,0,0]=3 2315 B15R1.1081 CC(C)CNCC(=O)Oc1ccccc1 34a_100000210953_100009813826 [0,0,0,0,0,1|2,0,0]=3 2316 B15R1.1081 CC(C)CNNC(=O)C[n+]1ccccc1 22a_100000696102_200000086051 [0,0,0,0,0,1|3,0,0]=4 2317 B15R1.1081 CC(C)CNNC(=O)Cc1ccccn1 22a_100000696102_100000233486 [0,0,0,0,0,1|3,0,0]=4 2318 B15R1.1081 CC(C)CNNC(=O)Cc1cccnc1 22a_100000696102_100000737805 [0,0,0,0,0,1|3,0,0]=4 2319 B15R1.1081 CC(C)CNNC(=O)Cc1ccncc1 22a_100000696102_100011201483 [0,0,0,0,0,1|3,0,0]=4 2320 B15R1.1081 CC(C)COCC(=O)Cc1ccccc1 1458a_100011223364_100015291786 [0,0,0,0,0,1|2,0,0]=3 2321 B15R1.1081 CC(C)COCC(=O)Cc1ccccn1 1458a_100011223364_100000721315 [0,0,0,0,0,1|3,0,0]=4 2322 B15R1.1081 CC(C)COCC(=O)Cc1cccnc1 1458a_100011223364_100000733263 [0,0,0,0,0,1|3,0,0]=4 2323 B15R1.1081 CC(C)COCC(=O)Cc1ccncc1 1458a_100011223364_100000705612 [0,0,0,0,0,1|3,0,0]=4 2324 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 11a_100000106764_100011223364 [0,0,0,0,0,1|2,0,0]=3 2325 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 1626a_100000106764_100011223364 [0,0,0,0,0,1|2,0,0]=3 2326 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 22a_100000106764_100011223364 [0,0,0,0,0,1|2,0,0]=3 2327 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000210257_100000182850 [0,0,0,0,0,1|2,0,0]=3 2328 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000246334_100000210624 [0,0,0,0,0,1|2,0,0]=3 2329 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 527a_100000106764_100011223364 [0,0,0,0,0,1|2,0,0]=3 2330 B15R1.1081 CC(C)COCC(=O)Oc1ccccc1 34a_100000210257_100009813826 [0,0,0,0,0,1|2,0,0]=3 2331 B15R1.1081 CC(C)CSCC(=O)Cc1ccccc1 62a_100000210624_100000233483 [0,0,0,0,0,1|2,0,0]=3 2332 B15R1.1081 CC(C)CSCC(=O)Cc1ccccc1 62a_100000233483_100000210760 [0,0,0,0,0,1|2,0,0]=3 2333 B15R1.1081 CC(C)CSCC(=O)Nc1ccccc1 62a_100000210624_100000182850 [0,0,0,0,0,1|2,0,0]=3 2334 B15R1.1081 CC(C)CSCC(=O)Nc1ccccc1 62a_100012148978_100000210760 [0,0,0,0,0,1|2,0,0]=3 2335 B15R1.1081 CC(C)CSCC(=O)Nc1ccccn1 62a_100000210624_100020662008 [0,0,0,0,0,1|3,0,0]=4 2336 B15R1.1081 CC(C)CSCC(=O)Nc1ccccn1 62a_100020662008_100000210760 [0,0,0,0,0,1|3,0,0]=4 2337 B15R1.1081 CC(C)CSCC(=O)Nc1ccncc1 62a_100000210624_100000754145 [0,0,0,0,0,1|3,0,0]=4 2338 B15R1.1081 CC(C)CSCC(=O)Oc1ccccc1 62a_100000210624_100009813826 [0,0,0,0,0,1|2,0,0]=3 2339 B15R1.1081 CC(C)CSCC(=O)Oc1ccccc1 62a_100009813826_100000210760 [0,0,0,0,0,1|2,0,0]=3 2340 B15R1.1081 CC(C)NCCC(=O)Nc1ccccc1 2230a_100138425928_100000242058 [0,0,0,0,0,1|2,0,0]=3 2341 B15R1.1081 CC(C)NCCC(=O)Nc1ccccc1 34a_100138425928_100000242058 [0,0,0,0,0,1|2,0,0]=3 2342 B15R1.1081 CC(C)NCCC(=O)Nc1cccnc1 2230a_100138425928_200015187043 [0,0,0,0,0,1|3,0,0]=4 2343 B15R1.1081 CC(C)NCCC(=O)Nc1cccnc1 34a_100000748795_100000210206 [0,0,0,0,0,1|3,0,0]=4 2344 B15R1.1081 CC(C)NCCC(=O)Oc1ccccc1 2230a_100138425928_200000035796 [0,0,0,0,0,1|2,0,0]=3 2345 B15R1.1081 CC(C)OCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000211751 [0,0,0,0,0,1|3,0,0]=4 2346 B15R1.1081 CC(C)OCCC(=O)Cc1ccccn1 1458a_100000233486_100000211751 [0,0,0,0,0,1|3,0,0]=4 2347 B15R1.1081 CC(C)OCCC(=O)Cc1cccnc1 1458a_100000737805_100000211751 [0,0,0,0,0,1|3,0,0]=4 2348 B15R1.1081 CC(C)OCCC(=O)Nc1ccccc1 34a_100000212225_100000242058 [0,0,0,0,0,1|2,0,0]=3 2349 B15R1.1081 CC(C)OCOC(C)Cc1ccccc1 34a_100000748627_100000709892 [0,0,0,0,0,1|2,0,1]=4 2350 B15R1.1081 CC(C)SCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000730970 [0,0,0,0,0,1|3,0,0]=4 2351 B15R1.1081 CC(C)SCCC(=O)Cc1ccccn1 1458a_100000233486_100000730970 [0,0,0,0,0,1|3,0,0]=4 2352 B15R1.1081 CC(C)SCCC(=O)Cc1cccnc1 1458a_100000737805_100000730970 [0,0,0,0,0,1|3,0,0]=4 2353 B15R1.1081 CC(C)SCCC(=O)Nc1ccccc1 62a_100000210206_100000242058 [0,0,0,0,0,1|2,0,0]=3 2354 B15R1.1081 CC(C)SCCC(=O)Nc1cccnc1 62a_100000210206_200015187043 [0,0,0,0,0,1|3,0,0]=4 2355 B15R1.1081 CC(C)SCCC(=O)Oc1ccccc1 62a_100000210206_200000035796 [0,0,0,0,0,1|2,0,0]=3 2356 B15R1.1081 CC(Cc1ccccc1)OCCN(C)C 7a_100000748627_100000755713 [0,0,0,0,0,1|2,0,1]=4 2357 B15R1.1081 CC(Cc1ccccc1)OCC[C@@H](C)N 34a_100000706166_200011218536 [0,0,0,0,0,1|2,0,1]=4 2358 B15R1.1081 CC(F)COCC(=O)Nc1ccccc1 34a_100015925927_100000182850 [0,0,0,0,0,1|3,0,0]=4 2359 B15R1.1081 CC(F)COCC(=O)Oc1ccccc1 34a_100015925927_100009813826 [0,0,0,0,0,1|3,0,0]=4 2360 B15R1.1081 CC(O)CCCC(=O)C[n+]1ccccc1 1458a_200000086051_200000718107 [0,0,0,0,0,1|3,0,0]=4 2361 B15R1.1081 CC(O)CCCC(=O)Cc1ccccn1 1458a_100000233486_200000718107 [0,0,0,0,0,1|3,0,0]=4 2362 B15R1.1081 CC(O)CCCC(=O)Cc1cccnc1 1458a_100000737805_200000718107 [0,0,0,0,0,1|3,0,0]=4 2363 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000761597 [0,0,0,0,0,1|2,0,0]=3 2364 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 22a_100000106764_100000761597 [0,0,0,0,0,1|2,0,0]=3 2365 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 527a_100000106764_100000761597 [0,0,0,0,0,1|2,0,0]=3 2366 B15R1.1081 CC(O)CCNC(=O)C[n+]1ccccc1 240690a_200000755665_200000086051 [0,0,0,0,0,1|3,0,0]=4 2367 B15R1.1081 CC(O)CCNC(=O)C[n+]1ccccc1 527a_200000755665_200000086051 [0,0,0,0,0,1|3,0,0]=4 2368 B15R1.1081 CC(O)CCNC(=O)Cc1cccnc1 240690a_200000755665_100000737805 [0,0,0,0,0,1|3,0,0]=4 2369 B15R1.1081 CC(O)CCNC(=O)Cc1cccnc1 527a_200000755665_100000737805 [0,0,0,0,0,1|3,0,0]=4 2370 B15R1.1081 CC(O)CCNC(=O)Cc1ccncc1 240690a_200000755665_100011201483 [0,0,0,0,0,1|3,0,0]=4 2371 B15R1.1081 CC(O)CCNC(=O)Nc1ccccc1 2430a_100000106764_200000755665 [0,0,0,0,0,1|2,0,0]=3 2372 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 34a_100000748627_100012276601 [0,0,0,0,0,1|2,0,1]=4 2373 B15R1.1081 CC(O)CCOC(C)Cc1ccccc1 7a_100000748627_100012276601 [0,0,0,0,0,1|2,0,1]=4 2374 B15R1.1081 CC(O)CNCC(=O)Cc1ccccc1 2230a_100000210904_100000233483 [0,0,0,0,0,1|3,0,0]=4 2375 B15R1.1081 CC(O)CNCC(=O)Nc1ccccc1 2230a_100000210904_100000182850 [0,0,0,0,0,1|3,0,0]=4 2376 B15R1.1081 CC(O)CNCC(=O)Nc1ccccc1 34a_100000210904_100000182850 [0,0,0,0,0,1|3,0,0]=4 2377 B15R1.1081 CC(O)CNCC(=O)Oc1ccccc1 2230a_100000210904_100009813826 [0,0,0,0,0,1|3,0,0]=4 2378 B15R1.1081 CC(O)CNCC(=O)Oc1ccccc1 34a_100000210904_100009813826 [0,0,0,0,0,1|3,0,0]=4 2379 B15R1.1081 CC(O)COCC(=O)Nc1ccccc1 34a_100000246334_100011218427 [0,0,0,0,0,1|3,0,0]=4 2380 B15R1.1081 CC(O)CSCC(=O)Cc1ccccc1 62a_100000233483_100011218427 [0,0,0,0,0,1|3,0,0]=4 2381 B15R1.1081 CC(O)CSCC(=O)Cc1ccccc1 62a_100011218427_100000233483 [0,0,0,0,0,1|3,0,0]=4 2382 B15R1.1081 CC(O)CSCC(=O)Nc1ccccc1 62a_100011218427_100000182850 [0,0,0,0,0,1|3,0,0]=4 2383 B15R1.1081 CC(O)CSCC(=O)Nc1ccccc1 62a_100012148978_100011218427 [0,0,0,0,0,1|3,0,0]=4 2384 B15R1.1081 CC(O)CSCC(=O)Oc1ccccc1 62a_100009813826_100011218427 [0,0,0,0,0,1|3,0,0]=4 2385 B15R1.1081 CC(O)CSCC(=O)Oc1ccccc1 62a_100011218427_100009813826 [0,0,0,0,0,1|3,0,0]=4 2386 B15R1.1081 CN(C)CC=CC(=O)Cc1ccccc1 1458a_100000754359_100015291786 [0,0,0,0,0,1|2,0,1]=4 2387 B15R1.1081 CN(C)CC=CC(=O)Nc1ccccc1 22a_100000106764_100000754359 [0,0,0,0,0,1|2,0,1]=4 2388 B15R1.1081 CN(C)CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000695564 [0,0,0,0,0,1|3,0,0]=4 2389 B15R1.1081 CN(C)CCCC(=O)Cc1ccccn1 1458a_100000233486_100000695564 [0,0,0,0,0,1|3,0,0]=4 2390 B15R1.1081 CN(C)CCCC(=O)Cc1cccnc1 1458a_100000737805_100000695564 [0,0,0,0,0,1|3,0,0]=4 2391 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100000740757 [0,0,0,0,0,1|2,0,0]=3 2392 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 2230a_100102631434_100011194425 [0,0,0,0,0,1|2,0,0]=3 2393 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100000740757 [0,0,0,0,0,1|2,0,0]=3 2394 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 269982a_100102631434_100011194425 [0,0,0,0,0,1|2,0,0]=3 2395 B15R1.1081 CN(C)CCNC(=O)C[n+]1ccccc1 240690a_100000210585_200000086051 [0,0,0,0,0,1|3,0,0]=4 2396 B15R1.1081 CN(C)CCNC(=O)C[n+]1ccccc1 527a_100000210585_200000086051 [0,0,0,0,0,1|3,0,0]=4 2397 B15R1.1081 CN(C)CCNC(=O)Cc1cccnc1 240690a_100000210585_100000737805 [0,0,0,0,0,1|3,0,0]=4 2398 B15R1.1081 CN(C)CCNC(=O)Cc1cccnc1 527a_100000210585_100000737805 [0,0,0,0,0,1|3,0,0]=4 2399 B15R1.1081 CN(C)CCNC(=O)Cc1ccncc1 240690a_100000210585_100011201483 [0,0,0,0,0,1|3,0,0]=4 2400 B15R1.1081 CN(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210585 [0,0,0,0,0,1|2,0,0]=3 2401 B15R1.1081 C[C@@H](Cl)COCC(=O)Nc1ccccc1 34a_100016084084_100000182850 [0,0,0,0,0,1|3,0,0]=4 2402 B15R1.1081 C[C@@H](Cl)COCC(=O)Oc1ccccc1 34a_100016084084_100009813826 [0,0,0,0,0,1|3,0,0]=4 2403 B15R1.1081 C[C@@H](N)COCC(=O)Nc1ccccc1 34a_100000737577_100000182850 [0,0,0,0,0,1|3,0,0]=4 2404 B15R1.1081 C[C@@H](N)COCC(=O)Oc1ccccc1 34a_100000737577_100009813826 [0,0,0,0,0,1|3,0,0]=4 2405 B15R1.1081 C[C@@H](O)COCC(=O)Nc1ccccc1 34a_100000246334_100009817552 [0,0,0,0,0,1|3,0,0]=4 2406 B15R1.1081 C[C@@H](O)CSCC(=O)Cc1ccccc1 62a_100000233483_100009817552 [0,0,0,0,0,1|3,0,0]=4 2407 B15R1.1081 C[C@@H](O)CSCC(=O)Cc1ccccc1 62a_100009817552_100000233483 [0,0,0,0,0,1|3,0,0]=4 2408 B15R1.1081 C[C@@H](O)CSCC(=O)Nc1ccccc1 62a_100009817552_100000182850 [0,0,0,0,0,1|3,0,0]=4 2409 B15R1.1081 C[C@@H](O)CSCC(=O)Nc1ccccc1 62a_100012148978_100009817552 [0,0,0,0,0,1|3,0,0]=4 2410 B15R1.1081 C[C@@H](O)CSCC(=O)Oc1ccccc1 62a_100009813826_100009817552 [0,0,0,0,0,1|3,0,0]=4 2411 B15R1.1081 C[C@@H](O)CSCC(=O)Oc1ccccc1 62a_100009817552_100009813826 [0,0,0,0,0,1|3,0,0]=4 2412 B15R1.1081 [13CH3]C(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200025704644 [0,0,0,0,0,1|2,0,1]=4 2413 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [1,0,1,0,0,0|1,0,1]=4 2414 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 11a_100000210545_100000185730 [1,0,1,0,0,0|1,0,1]=4 2415 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 1626a_100000210545_100000185730 [1,0,1,0,0,0|1,0,1]=4 2416 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 240690a_100000210545_100000185730 [1,0,1,0,0,0|1,0,1]=4 2417 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [2,0,0,0,0,0|1,0,1]=4 2418 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [2,0,0,0,0,0|1,0,0]=3 2419 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [2,0,0,0,0,0|2,0,0]=4 2420 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [2,0,0,0,0,0|2,0,0]=4 2421 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [2,0,0,0,0,0|2,0,0]=4 2422 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [2,0,0,0,0,0|2,0,0]=4 2423 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [2,0,0,0,0,0|2,0,0]=4 2424 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [2,0,0,0,0,0|2,0,0]=4 2425 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [2,0,0,0,0,0|2,0,0]=4 2426 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [2,0,0,0,0,0|2,0,0]=4 2427 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [2,0,0,0,0,0|1,0,1]=4 2428 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [2,0,0,0,0,0|1,0,1]=4 2429 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2430 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [2,0,0,0,0,0|1,0,1]=4 2431 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [2,0,0,0,0,0|1,0,1]=4 2432 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [2,0,0,0,0,0|1,0,1]=4 2433 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [2,0,0,0,0,0|0,0,1]=3 2434 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [2,0,0,0,0,0|0,0,1]=3 2435 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [2,0,0,0,0,0|0,0,1]=3 2436 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [2,0,0,0,0,0|0,0,1]=3 2437 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [2,0,0,0,0,0|1,0,1]=4 2438 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [2,0,0,0,0,0|1,0,1]=4 2439 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [2,0,0,0,0,0|1,0,1]=4 2440 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [2,0,0,0,0,0|1,0,1]=4 2441 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [2,0,0,0,0,0|1,0,1]=4 2442 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [2,0,0,0,0,0|0,1,1]=4 2443 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [2,0,0,0,0,0|0,1,1]=4 2444 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [2,0,0,0,0,0|2,0,0]=4 2445 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [2,0,0,0,0,0|2,0,0]=4 2446 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [2,0,0,0,0,0|2,0,0]=4 2447 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [2,0,0,0,0,0|2,0,0]=4 2448 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [2,0,0,0,0,0|2,0,0]=4 2449 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [2,0,0,0,0,0|1,0,1]=4 2450 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [2,0,0,0,0,0|2,0,0]=4 2451 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [2,0,0,0,0,0|2,0,0]=4 2452 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [2,0,0,0,0,0|1,0,1]=4 2453 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [2,0,0,0,0,0|2,0,0]=4 2454 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [2,0,0,0,0,0|2,0,0]=4 2455 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [2,0,0,0,0,0|1,0,1]=4 2456 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [2,0,0,0,0,0|1,0,1]=4 2457 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [2,0,0,0,0,0|1,0,1]=4 2458 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [2,0,0,0,0,0|1,0,1]=4 2459 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [2,0,0,0,0,0|1,0,1]=4 2460 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [2,0,0,0,0,0|1,0,1]=4 2461 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [2,0,0,0,0,0|1,0,1]=4 2462 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [2,0,0,0,0,0|1,0,1]=4 2463 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [2,0,0,0,0,0|1,0,1]=4 2464 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [2,0,0,0,0,0|1,0,1]=4 2465 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [2,0,0,0,0,0|1,0,1]=4 2466 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [2,0,0,0,0,0|1,0,1]=4 2467 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [2,0,0,0,0,0|1,0,1]=4 2468 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [2,0,0,0,0,0|1,0,1]=4 2469 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [2,0,0,0,0,0|1,0,1]=4 2470 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [2,0,0,0,0,0|1,0,1]=4 2471 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [2,0,0,0,0,0|1,0,1]=4 2472 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [2,0,0,0,0,0|1,0,1]=4 2473 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [2,0,0,0,0,0|1,0,1]=4 2474 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [2,0,0,0,0,0|1,0,1]=4 2475 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [2,0,0,0,0,0|1,0,1]=4 2476 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [2,0,0,0,0,0|1,0,1]=4 2477 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [2,0,0,0,0,0|1,0,1]=4 2478 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [2,0,0,0,0,0|1,0,1]=4 2479 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [2,0,0,0,0,0|1,0,1]=4 2480 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [2,0,0,0,0,0|1,0,1]=4 2481 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [2,0,0,0,0,0|1,0,1]=4 2482 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [2,0,0,0,0,0|1,0,1]=4 2483 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [2,0,0,0,0,0|1,0,1]=4 2484 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [2,0,0,0,0,0|1,0,1]=4 2485 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [2,0,0,0,0,0|1,0,1]=4 2486 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [2,0,0,0,0,0|1,0,1]=4 2487 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [2,0,0,0,0,0|0,0,2]=4 2488 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [2,0,0,0,0,0|0,0,2]=4 2489 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [2,0,0,0,0,0|0,0,2]=4 2490 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [2,0,0,0,0,0|0,0,2]=4 2491 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [2,0,0,0,0,0|0,0,2]=4 2492 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [2,0,0,0,0,0|0,0,0]=2 2493 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [2,0,0,0,0,0|2,0,0]=4 2494 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [2,0,0,0,0,0|2,0,0]=4 2495 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [2,0,0,0,0,0|2,0,0]=4 2496 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [2,0,0,0,0,0|2,0,0]=4 2497 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [2,0,0,0,0,0|2,0,0]=4 2498 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [2,0,0,0,0,0|2,0,0]=4 2499 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [2,0,0,0,0,0|2,0,0]=4 2500 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [2,0,0,0,0,0|2,0,0]=4 2501 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [2,0,0,0,0,0|2,0,0]=4 2502 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 2503 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 2504 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 2505 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 2506 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [2,0,0,0,0,0|1,0,1]=4 2507 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [2,0,0,0,0,0|1,0,1]=4 2508 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [2,0,0,0,0,0|1,0,1]=4 2509 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [2,0,0,0,0,0|2,0,0]=4 2510 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [2,0,0,0,0,0|2,0,0]=4 2511 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [2,0,0,0,0,0|1,0,0]=3 2512 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [2,0,0,0,0,0|1,0,0]=3 2513 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [2,0,0,0,0,0|2,0,0]=4 2514 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [2,0,0,0,0,0|2,0,0]=4 2515 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [2,0,0,0,0,0|2,0,0]=4 2516 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [2,0,0,0,0,0|2,0,0]=4 2517 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [2,0,0,0,0,0|2,0,0]=4 2518 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [2,0,0,0,0,0|2,0,0]=4 2519 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [2,0,0,0,0,0|2,0,0]=4 2520 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [2,0,0,0,0,0|1,0,0]=3 2521 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [2,0,0,0,0,0|1,0,0]=3 2522 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [2,0,0,0,0,0|2,0,0]=4 2523 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [2,0,0,0,0,0|2,0,0]=4 2524 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [2,0,0,0,0,0|1,0,0]=3 2525 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [2,0,0,0,0,0|1,0,0]=3 2526 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [2,0,0,0,0,0|1,0,0]=3 2527 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [2,0,0,0,0,0|1,0,0]=3 2528 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [2,0,0,0,0,0|1,0,0]=3 2529 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [2,0,0,0,0,0|2,0,0]=4 2530 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [2,0,0,0,0,0|1,0,0]=3 2531 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [2,0,0,0,0,0|1,0,0]=3 2532 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [2,0,0,0,0,0|1,0,1]=4 2533 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [2,0,0,0,0,0|1,0,0]=3 2534 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [2,0,0,0,0,0|1,0,0]=3 2535 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [2,0,0,0,0,0|2,0,0]=4 2536 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [2,0,0,0,0,0|2,0,0]=4 2537 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 2538 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 2539 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 2540 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 2541 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [2,0,0,0,0,0|2,0,0]=4 2542 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [2,0,0,0,0,0|2,0,0]=4 2543 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [2,0,0,0,0,0|1,0,0]=3 2544 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [2,0,0,0,0,0|1,0,0]=3 2545 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [2,0,0,0,0,0|2,0,0]=4 2546 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [2,0,0,0,0,0|1,0,0]=3 2547 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [2,0,0,0,0,0|1,0,0]=3 2548 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [1,1,0,0,0,0|1,0,0]=3 2549 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [1,1,0,0,0,0|1,0,0]=3 2550 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [1,1,0,0,0,0|1,0,0]=3 2551 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [1,1,0,0,0,0|1,0,0]=3 2552 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [1,1,0,0,0,0|1,0,0]=3 2553 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [1,1,0,0,0,0|1,0,0]=3 2554 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [1,1,0,0,0,0|1,0,0]=3 2555 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 11a_100000102301_100000185839 [1,1,0,0,0,0|1,0,0]=3 2556 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 1626a_100000102301_100000185839 [1,1,0,0,0,0|1,0,0]=3 2557 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 240690a_100000102301_100000185839 [1,1,0,0,0,0|1,0,0]=3 2558 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 527a_100000102301_100000185839 [1,1,0,0,0,0|1,0,0]=3 2559 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 11a_100000102301_100000188618 [1,1,0,0,0,0|1,0,0]=3 2560 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 1626a_100000102301_100000188618 [1,1,0,0,0,0|1,0,0]=3 2561 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 240690a_100000102301_100000188618 [1,1,0,0,0,0|1,0,0]=3 2562 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 527a_100000102301_100000188618 [1,1,0,0,0,0|1,0,0]=3 2563 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 11a_100000102301_100000210187 [1,1,0,0,0,0|1,0,0]=3 2564 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 1626a_100000102301_100000210187 [1,1,0,0,0,0|1,0,0]=3 2565 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 240690a_100000102301_100000210187 [1,1,0,0,0,0|1,0,0]=3 2566 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 527a_100000102301_100000210187 [1,1,0,0,0,0|1,0,0]=3 2567 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 11a_100000102301_100000187176 [1,1,0,0,0,0|1,0,0]=3 2568 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 1626a_100000102301_100000187176 [1,1,0,0,0,0|1,0,0]=3 2569 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 240690a_100000102301_100000187176 [1,1,0,0,0,0|1,0,0]=3 2570 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 527a_100000102301_100000187176 [1,1,0,0,0,0|1,0,0]=3 2571 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 11a_100000102301_100000187904 [1,1,0,0,0,0|1,0,0]=3 2572 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 1626a_100000102301_100000187904 [1,1,0,0,0,0|1,0,0]=3 2573 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 240690a_100000102301_100000187904 [1,1,0,0,0,0|1,0,0]=3 2574 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 527a_100000102301_100000187904 [1,1,0,0,0,0|1,0,0]=3 2575 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 240690a_100000102301_100000212099 [1,1,0,0,0,0|1,0,0]=3 2576 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000154866 [1,1,0,0,0,0|1,0,0]=3 2577 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 527a_100000102301_100000212099 [1,1,0,0,0,0|1,0,0]=3 2578 B14R1.19 CCCCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781281 [1,1,0,0,0,0|2,0,0]=4 2579 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [1,1,0,0,0,0|1,0,1]=4 2580 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [1,1,0,0,0,0|1,0,1]=4 2581 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [1,1,0,0,0,0|1,0,1]=4 2582 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [1,1,0,0,0,0|1,0,1]=4 2583 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [1,1,0,0,0,0|1,0,1]=4 2584 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [1,1,0,0,0,0|1,0,1]=4 2585 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [1,1,0,0,0,0|1,0,1]=4 2586 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [1,1,0,0,0,0|1,0,1]=4 2587 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [1,1,0,0,0,0|1,0,1]=4 2588 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [1,1,0,0,0,0|1,0,1]=4 2589 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [1,1,0,0,0,0|1,0,1]=4 2590 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [1,1,0,0,0,0|1,0,1]=4 2591 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [1,1,0,0,0,0|1,0,1]=4 2592 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [1,1,0,0,0,0|1,0,1]=4 2593 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [1,1,0,0,0,0|1,0,1]=4 2594 B14R1.19 CCCNNC(=O)c1ccc(cc1)Br 22a_100000740057_100000185839 [1,1,0,0,0,0|2,0,0]=4 2595 B14R1.19 CCCNNC(=O)c1ccc(cc1)C 22a_100000740057_100000188618 [1,1,0,0,0,0|2,0,0]=4 2596 B14R1.19 CCCNNC(=O)c1ccc(cc1)Cl 22a_100000740057_100000210187 [1,1,0,0,0,0|2,0,0]=4 2597 B14R1.19 CCCNNC(=O)c1ccc(cc1)F 22a_100000740057_100000187176 [1,1,0,0,0,0|2,0,0]=4 2598 B14R1.19 CCCNNC(=O)c1ccc(cc1)I 22a_100000740057_100000187904 [1,1,0,0,0,0|2,0,0]=4 2599 B14R1.19 CCCNNC(=O)c1ccc(cc1)O 22a_100000740057_100000212099 [1,1,0,0,0,0|2,0,0]=4 2600 B14R1.19 CCCOCC(=O)c1ccc(cc1)Br 34a_100000210258_100000188085 [1,1,0,0,0,0|2,0,0]=4 2601 B14R1.19 CCCOCC(=O)c1ccc(cc1)C 34a_100000210258_100000211441 [1,1,0,0,0,0|2,0,0]=4 2602 B14R1.19 CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210303 [1,1,0,0,0,0|2,0,0]=4 2603 B14R1.19 CCCOCC(=O)c1ccc(cc1)I 34a_100000210258_100011216261 [1,1,0,0,0,0|2,0,0]=4 2604 B14R1.19 CCCOCC(=O)c1ccc(cc1)O 34a_100000210258_100009814261 [1,1,0,0,0,0|2,0,0]=4 2605 B14R1.19 CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210303 [1,1,0,0,0,0|2,0,0]=4 2606 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000210303_100000211441 [1,1,0,0,0,0|2,0,0]=4 2607 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210303 [1,1,0,0,0,0|2,0,0]=4 2608 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000210303_100000211071 [1,1,0,0,0,0|2,0,0]=4 2609 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210303 [1,1,0,0,0,0|2,0,0]=4 2610 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000210303_100000211279 [1,1,0,0,0,0|2,0,0]=4 2611 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210303 [1,1,0,0,0,0|2,0,0]=4 2612 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100000210303_100011216261 [1,1,0,0,0,0|2,0,0]=4 2613 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210303 [1,1,0,0,0,0|2,0,0]=4 2614 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100000210303_100009814261 [1,1,0,0,0,0|2,0,0]=4 2615 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210303 [1,1,0,0,0,0|2,0,0]=4 2616 B14R1.19 CCNCCC(=O)c1ccc(cc1)C 2230a_100015525214_100000701375 [1,1,0,0,0,0|2,0,0]=4 2617 B14R1.19 CCNCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211231 [1,1,0,0,0,0|2,0,0]=4 2618 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [1,1,0,0,0,0|2,0,0]=4 2619 B14R1.19 CCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215890 [1,1,0,0,0,0|2,0,0]=4 2620 B14R1.19 CCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215890 [1,1,0,0,0,0|2,0,0]=4 2621 B14R1.19 CCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215890 [1,1,0,0,0,0|2,0,0]=4 2622 B14R1.19 CCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215890 [1,1,0,0,0,0|2,0,0]=4 2623 B14R1.19 CCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215890 [1,1,0,0,0,0|2,0,0]=4 2624 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215890 [1,1,0,0,0,0|2,0,0]=4 2625 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 271570a_203496583355_100018808408 [1,1,0,0,0,0|2,0,0]=4 2626 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000757381 [1,1,0,0,0,0|2,0,0]=4 2627 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100000210202_100011215963 [1,1,0,0,0,0|2,0,0]=4 2628 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210202 [1,1,0,0,0,0|2,0,0]=4 2629 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000757381 [1,1,0,0,0,0|2,0,0]=4 2630 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000210202_100000701375 [1,1,0,0,0,0|2,0,0]=4 2631 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210202 [1,1,0,0,0,0|2,0,0]=4 2632 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000757381 [1,1,0,0,0,0|2,0,0]=4 2633 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100000210202_100011216492 [1,1,0,0,0,0|2,0,0]=4 2634 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210202 [1,1,0,0,0,0|2,0,0]=4 2635 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000757381 [1,1,0,0,0,0|2,0,0]=4 2636 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211231 [1,1,0,0,0,0|2,0,0]=4 2637 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210202 [1,1,0,0,0,0|2,0,0]=4 2638 B14R1.19 CCSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000757381 [1,1,0,0,0,0|2,0,0]=4 2639 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757381 [1,1,0,0,0,0|2,0,0]=4 2640 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 62a_100000210202_100009879949 [1,1,0,0,0,0|2,0,0]=4 2641 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 2230a_106832991635_100000211046 [1,1,0,0,0,0|2,0,0]=4 2642 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 34a_100102657272_100000211046 [1,1,0,0,0,0|2,0,0]=4 2643 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 7a_106832991635_100000211046 [1,1,0,0,0,0|2,0,0]=4 2644 B14R1.19 CNCCCC(=O)c1ccc(cc1)Cl 7a_106832991635_200011217871 [1,1,0,0,0,0|2,0,0]=4 2645 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211961 [1,1,0,0,0,0|2,0,0]=4 2646 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211961 [1,1,0,0,0,0|2,0,0]=4 2647 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 2230a_106832991635_100000039620 [1,1,0,0,0,0|2,0,0]=4 2648 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 7a_106832991635_100000039620 [1,1,0,0,0,0|2,0,0]=4 2649 B14R1.19 CNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_200000210301 [1,1,0,0,0,0|2,0,0]=4 2650 B14R1.19 CNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_200000210301 [1,1,0,0,0,0|2,0,0]=4 2651 B14R1.19 CNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2652 B14R1.19 CNCCNC(=O)c1ccc(cc1)F 34a_100000753910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2653 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000740836 [1,1,0,0,0,0|2,0,0]=4 2654 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 34a_100138415774_100000211046 [1,1,0,0,0,0|2,0,0]=4 2655 B14R1.19 COCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000740836 [1,1,0,0,0,0|2,0,0]=4 2656 B14R1.19 COCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000740836 [1,1,0,0,0,0|2,0,0]=4 2657 B14R1.19 COCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000740836 [1,1,0,0,0,0|2,0,0]=4 2658 B14R1.19 COCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000740836 [1,1,0,0,0,0|2,0,0]=4 2659 B14R1.19 COCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000740836 [1,1,0,0,0,0|2,0,0]=4 2660 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 1626a_100000209980_100000185839 [1,1,0,0,0,0|2,0,0]=4 2661 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 240690a_100000209980_100000185839 [1,1,0,0,0,0|2,0,0]=4 2662 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 34a_200000158904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2663 B14R1.19 COCCNC(=O)c1ccc(cc1)Br 527a_100000209980_100000185839 [1,1,0,0,0,0|2,0,0]=4 2664 B14R1.19 COCCNC(=O)c1ccc(cc1)C 1626a_100000209980_100000188618 [1,1,0,0,0,0|2,0,0]=4 2665 B14R1.19 COCCNC(=O)c1ccc(cc1)C 240690a_100000209980_100000188618 [1,1,0,0,0,0|2,0,0]=4 2666 B14R1.19 COCCNC(=O)c1ccc(cc1)C 34a_200000158910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2667 B14R1.19 COCCNC(=O)c1ccc(cc1)C 527a_100000209980_100000188618 [1,1,0,0,0,0|2,0,0]=4 2668 B14R1.19 COCCNC(=O)c1ccc(cc1)C 7a_200000158910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2669 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 1626a_100000209980_100000210187 [1,1,0,0,0,0|2,0,0]=4 2670 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 240690a_100000209980_100000210187 [1,1,0,0,0,0|2,0,0]=4 2671 B14R1.19 COCCNC(=O)c1ccc(cc1)Cl 527a_100000209980_100000210187 [1,1,0,0,0,0|2,0,0]=4 2672 B14R1.19 COCCNC(=O)c1ccc(cc1)F 1626a_100000209980_100000187176 [1,1,0,0,0,0|2,0,0]=4 2673 B14R1.19 COCCNC(=O)c1ccc(cc1)F 240690a_100000209980_100000187176 [1,1,0,0,0,0|2,0,0]=4 2674 B14R1.19 COCCNC(=O)c1ccc(cc1)F 527a_100000209980_100000187176 [1,1,0,0,0,0|2,0,0]=4 2675 B14R1.19 COCCNC(=O)c1ccc(cc1)I 1626a_100000209980_100000187904 [1,1,0,0,0,0|2,0,0]=4 2676 B14R1.19 COCCNC(=O)c1ccc(cc1)I 240690a_100000209980_100000187904 [1,1,0,0,0,0|2,0,0]=4 2677 B14R1.19 COCCNC(=O)c1ccc(cc1)I 527a_100000209980_100000187904 [1,1,0,0,0,0|2,0,0]=4 2678 B14R1.19 COCCNC(=O)c1ccc(cc1)N 34a_100000740983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2679 B14R1.19 COCCNC(=O)c1ccc(cc1)O 240690a_100000209980_100000212099 [1,1,0,0,0,0|2,0,0]=4 2680 B14R1.19 COCCNC(=O)c1ccc(cc1)O 527a_100000209980_100000212099 [1,1,0,0,0,0|2,0,0]=4 2681 B14R1.19 COCCOC(=O)c1ccc(cc1)C 7a_200000031072_200000210301 [1,1,0,0,0,0|1,0,0]=3 2682 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_200000210301_100000211046 [1,1,0,0,0,0|2,0,0]=4 2684 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200000210301_200011217871 [1,1,0,0,0,0|2,0,0]=4 2685 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200000210301 [1,1,0,0,0,0|2,0,0]=4 2686 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211961 [1,1,0,0,0,0|2,0,0]=4 2688 B14R1.19 CSCCCC(=O)c1ccc(cc1)O 62a_200000210301_100000039620 [1,1,0,0,0,0|2,0,0]=4 2689 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 11a_100020590264_100000185839 [1,1,0,0,0,0|2,0,0]=4 2690 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 1626a_100020590264_100000185839 [1,1,0,0,0,0|2,0,0]=4 2691 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 240690a_100020590264_100000185839 [1,1,0,0,0,0|2,0,0]=4 2692 B14R1.19 CSCCNC(=O)c1ccc(cc1)Br 527a_100020590264_100000185839 [1,1,0,0,0,0|2,0,0]=4 2693 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 11a_100020590264_100000188618 [1,1,0,0,0,0|2,0,0]=4 2694 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 1626a_100020590264_100000188618 [1,1,0,0,0,0|2,0,0]=4 2695 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 240690a_100020590264_100000188618 [1,1,0,0,0,0|2,0,0]=4 2696 B14R1.19 CSCCNC(=O)c1ccc(cc1)C 527a_100020590264_100000188618 [1,1,0,0,0,0|2,0,0]=4 2697 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 11a_100020590264_100000210187 [1,1,0,0,0,0|2,0,0]=4 2698 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 1626a_100020590264_100000210187 [1,1,0,0,0,0|2,0,0]=4 2699 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 240690a_100020590264_100000210187 [1,1,0,0,0,0|2,0,0]=4 2700 B14R1.19 CSCCNC(=O)c1ccc(cc1)Cl 527a_100020590264_100000210187 [1,1,0,0,0,0|2,0,0]=4 2701 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 11a_100020590264_100000187176 [1,1,0,0,0,0|2,0,0]=4 2702 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 1626a_100020590264_100000187176 [1,1,0,0,0,0|2,0,0]=4 2703 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 240690a_100020590264_100000187176 [1,1,0,0,0,0|2,0,0]=4 2704 B14R1.19 CSCCNC(=O)c1ccc(cc1)F 527a_100020590264_100000187176 [1,1,0,0,0,0|2,0,0]=4 2705 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 11a_100020590264_100000187904 [1,1,0,0,0,0|2,0,0]=4 2706 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 1626a_100020590264_100000187904 [1,1,0,0,0,0|2,0,0]=4 2707 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 240690a_100020590264_100000187904 [1,1,0,0,0,0|2,0,0]=4 2708 B14R1.19 CSCCNC(=O)c1ccc(cc1)I 527a_100020590264_100000187904 [1,1,0,0,0,0|2,0,0]=4 2709 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 240690a_100020590264_100000212099 [1,1,0,0,0,0|2,0,0]=4 2710 B14R1.19 CSCCNC(=O)c1ccc(cc1)O 527a_100020590264_100000212099 [1,1,0,0,0,0|2,0,0]=4 2711 B14R1.19 Cc1ccc(cc1)C(=O)CCCCF 1458a_100000188618_100000729493 [1,1,0,0,0,0|2,0,0]=4 2712 B14R1.19 Cc1ccc(cc1)C(=O)CCCCO 1458a_100000188618_100000210776 [1,1,0,0,0,0|2,0,0]=4 2713 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 11a_100015189416_100000188618 [1,1,0,0,0,0|2,0,0]=4 2714 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 1626a_100015189416_100000188618 [1,1,0,0,0,0|2,0,0]=4 2715 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 240690a_100015189416_100000188618 [1,1,0,0,0,0|2,0,0]=4 2716 B14R1.19 Cc1ccc(cc1)C(=O)NCCCF 527a_100015189416_100000188618 [1,1,0,0,0,0|2,0,0]=4 2717 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 240690a_100000182051_100000188618 [1,1,0,0,0,0|2,0,0]=4 2718 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 527a_100000182051_100000188618 [1,1,0,0,0,0|2,0,0]=4 2719 B14R1.19 Cc1ccc(cc1)C(=O)NCCO[13CH3] 34a_200000158910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2720 B14R1.19 Cc1ccc(cc1)C(=O)NCCO[13CH3] 7a_200000158910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2721 B14R1.19 Cc1ccc(cc1)C(=O)OCCO[13CH3] 7a_200000031072_200025704644 [1,1,0,0,0,0|1,0,0]=3 2722 B14R1.19 O=C(CCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729493 [1,1,0,0,0,0|2,0,0]=4 2723 B14R1.19 O=C(CCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729493 [1,1,0,0,0,0|2,0,0]=4 2724 B14R1.19 O=C(CCCCF)c1ccc(cc1)F 1458a_100000187176_100000729493 [1,1,0,0,0,0|2,0,0]=4 2725 B14R1.19 O=C(CCCCF)c1ccc(cc1)I 1458a_100000187904_100000729493 [1,1,0,0,0,0|2,0,0]=4 2726 B14R1.19 O=C(CCCCF)c1ccc(cc1)O 1458a_100000212099_100000729493 [1,1,0,0,0,0|2,0,0]=4 2727 B14R1.19 O=C(CCCCO)c1ccc(cc1)Br 1458a_100000185839_100000210776 [1,1,0,0,0,0|2,0,0]=4 2728 B14R1.19 O=C(CCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000210776 [1,1,0,0,0,0|2,0,0]=4 2729 B14R1.19 O=C(CCCCO)c1ccc(cc1)F 1458a_100000187176_100000210776 [1,1,0,0,0,0|2,0,0]=4 2730 B14R1.19 O=C(CCCCO)c1ccc(cc1)I 1458a_100000187904_100000210776 [1,1,0,0,0,0|2,0,0]=4 2731 B14R1.19 O=C(CCCCO)c1ccc(cc1)O 1458a_100000212099_100000210776 [1,1,0,0,0,0|2,0,0]=4 2732 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 11a_100015189416_100000185839 [1,1,0,0,0,0|2,0,0]=4 2733 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 1626a_100015189416_100000185839 [1,1,0,0,0,0|2,0,0]=4 2734 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 240690a_100015189416_100000185839 [1,1,0,0,0,0|2,0,0]=4 2735 B14R1.19 O=C(NCCCF)c1ccc(cc1)Br 527a_100015189416_100000185839 [1,1,0,0,0,0|2,0,0]=4 2736 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 11a_100015189416_100000210187 [1,1,0,0,0,0|2,0,0]=4 2737 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 1626a_100015189416_100000210187 [1,1,0,0,0,0|2,0,0]=4 2738 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 240690a_100015189416_100000210187 [1,1,0,0,0,0|2,0,0]=4 2739 B14R1.19 O=C(NCCCF)c1ccc(cc1)Cl 527a_100015189416_100000210187 [1,1,0,0,0,0|2,0,0]=4 2740 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 11a_100015189416_100000187176 [1,1,0,0,0,0|2,0,0]=4 2741 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 1626a_100015189416_100000187176 [1,1,0,0,0,0|2,0,0]=4 2742 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 240690a_100015189416_100000187176 [1,1,0,0,0,0|2,0,0]=4 2743 B14R1.19 O=C(NCCCF)c1ccc(cc1)F 527a_100015189416_100000187176 [1,1,0,0,0,0|2,0,0]=4 2744 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 11a_100015189416_100000187904 [1,1,0,0,0,0|2,0,0]=4 2745 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 1626a_100015189416_100000187904 [1,1,0,0,0,0|2,0,0]=4 2746 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 240690a_100015189416_100000187904 [1,1,0,0,0,0|2,0,0]=4 2747 B14R1.19 O=C(NCCCF)c1ccc(cc1)I 527a_100015189416_100000187904 [1,1,0,0,0,0|2,0,0]=4 2748 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 240690a_100015189416_100000212099 [1,1,0,0,0,0|2,0,0]=4 2749 B14R1.19 O=C(NCCCF)c1ccc(cc1)O 527a_100015189416_100000212099 [1,1,0,0,0,0|2,0,0]=4 2750 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 240690a_100000182051_100000185839 [1,1,0,0,0,0|2,0,0]=4 2751 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 527a_100000182051_100000185839 [1,1,0,0,0,0|2,0,0]=4 2752 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 240690a_100000182051_100000210187 [1,1,0,0,0,0|2,0,0]=4 2753 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 527a_100000182051_100000210187 [1,1,0,0,0,0|2,0,0]=4 2754 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 240690a_100000182051_100000187176 [1,1,0,0,0,0|2,0,0]=4 2755 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 527a_100000182051_100000187176 [1,1,0,0,0,0|2,0,0]=4 2756 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 240690a_100000182051_100000187904 [1,1,0,0,0,0|2,0,0]=4 2757 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 527a_100000182051_100000187904 [1,1,0,0,0,0|2,0,0]=4 2758 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 240690a_100000182051_100000212099 [1,1,0,0,0,0|2,0,0]=4 2759 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 527a_100000182051_100000212099 [1,1,0,0,0,0|2,0,0]=4 2760 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_200025704644 [1,1,0,0,0,0|2,0,0]=4 2761 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_200025704644 [1,1,0,0,0,0|2,0,0]=4 2762 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)F 2230a_100000753910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2763 B14R1.19 [13CH3]NCCNC(=O)c1ccc(cc1)F 34a_100000753910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2764 B14R1.19 [13CH3]OCCNC(=O)c1ccc(cc1)Br 34a_200000158904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2765 B14R1.19 [13CH3]OCCNC(=O)c1ccc(cc1)N 34a_100000740983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2766 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_200025704644_100000211046 [1,1,0,0,0,0|2,0,0]=4 2768 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200025704644 [1,1,0,0,0,0|2,0,0]=4 2769 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200025704644_200011217871 [1,1,0,0,0,0|2,0,0]=4 2770 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_100000211961_200025704644 [1,1,0,0,0,0|2,0,0]=4 2771 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211961 [1,1,0,0,0,0|2,0,0]=4 2772 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)O 62a_200025704644_100000039620 [1,1,0,0,0,0|2,0,0]=4 2773 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 34a_217856618577_100000210210 [1,1,0,0,0,0|1,0,1]=4 2774 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 7a_217856618577_100000210211 [1,1,0,0,0,0|1,0,1]=4 2775 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [1,1,0,0,0,0|1,0,0]=3 2776 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [1,1,0,0,0,0|1,0,0]=3 2777 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [1,1,0,0,0,0|1,0,0]=3 2778 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [1,1,0,0,0,0|1,0,0]=3 2779 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [1,1,0,0,0,0|1,0,0]=3 2780 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [1,1,0,0,0,0|1,0,0]=3 2781 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 11a_100000102301_100000210664 [1,1,0,0,0,0|1,0,0]=3 2782 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 1626a_100000102301_100000210664 [1,1,0,0,0,0|1,0,0]=3 2783 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 240690a_100000102301_100000210664 [1,1,0,0,0,0|1,0,0]=3 2784 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 527a_100000102301_100000210664 [1,1,0,0,0,0|1,0,0]=3 2785 B14R1.20 CCCCNC(=O)c1cccc(c1)C 11a_100000102301_100000189346 [1,1,0,0,0,0|1,0,0]=3 2786 B14R1.20 CCCCNC(=O)c1cccc(c1)C 1626a_100000102301_100000189346 [1,1,0,0,0,0|1,0,0]=3 2787 B14R1.20 CCCCNC(=O)c1cccc(c1)C 240690a_100000102301_100000189346 [1,1,0,0,0,0|1,0,0]=3 2788 B14R1.20 CCCCNC(=O)c1cccc(c1)C 527a_100000102301_100000189346 [1,1,0,0,0,0|1,0,0]=3 2789 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 11a_100000102301_100000210390 [1,1,0,0,0,0|1,0,0]=3 2790 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 1626a_100000102301_100000210390 [1,1,0,0,0,0|1,0,0]=3 2791 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 240690a_100000102301_100000210390 [1,1,0,0,0,0|1,0,0]=3 2792 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 527a_100000102301_100000210390 [1,1,0,0,0,0|1,0,0]=3 2793 B14R1.20 CCCCNC(=O)c1cccc(c1)F 11a_100000102301_100000210950 [1,1,0,0,0,0|1,0,0]=3 2794 B14R1.20 CCCCNC(=O)c1cccc(c1)F 1626a_100000102301_100000210950 [1,1,0,0,0,0|1,0,0]=3 2795 B14R1.20 CCCCNC(=O)c1cccc(c1)F 240690a_100000102301_100000210950 [1,1,0,0,0,0|1,0,0]=3 2796 B14R1.20 CCCCNC(=O)c1cccc(c1)F 527a_100000102301_100000210950 [1,1,0,0,0,0|1,0,0]=3 2797 B14R1.20 CCCCNC(=O)c1cccc(c1)I 11a_100000102301_100000184098 [1,1,0,0,0,0|1,0,0]=3 2798 B14R1.20 CCCCNC(=O)c1cccc(c1)I 1626a_100000102301_100000184098 [1,1,0,0,0,0|1,0,0]=3 2799 B14R1.20 CCCCNC(=O)c1cccc(c1)I 240690a_100000102301_100000184098 [1,1,0,0,0,0|1,0,0]=3 2800 B14R1.20 CCCCNC(=O)c1cccc(c1)I 527a_100000102301_100000184098 [1,1,0,0,0,0|1,0,0]=3 2801 B14R1.20 CCCCNC(=O)c1cccc(c1)O 240690a_100000102301_100000183914 [1,1,0,0,0,0|1,0,0]=3 2802 B14R1.20 CCCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000154868 [1,1,0,0,0,0|1,0,0]=3 2803 B14R1.20 CCCCNC(=O)c1cccc(c1)O 527a_100000102301_100000183914 [1,1,0,0,0,0|1,0,0]=3 2804 B14R1.20 CCCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000154871 [1,1,0,0,0,0|2,0,0]=4 2805 B14R1.20 CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210210 [1,1,0,0,0,0|1,0,1]=4 2806 B14R1.20 CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210211 [1,1,0,0,0,0|1,0,1]=4 2807 B14R1.20 CCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210210 [1,1,0,0,0,0|1,0,1]=4 2808 B14R1.20 CCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210211 [1,1,0,0,0,0|1,0,1]=4 2809 B14R1.20 CCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210210 [1,1,0,0,0,0|1,0,1]=4 2810 B14R1.20 CCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210211 [1,1,0,0,0,0|1,0,1]=4 2811 B14R1.20 CCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210210 [1,1,0,0,0,0|1,0,1]=4 2812 B14R1.20 CCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210211 [1,1,0,0,0,0|1,0,1]=4 2813 B14R1.20 CCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210210 [1,1,0,0,0,0|1,0,1]=4 2814 B14R1.20 CCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210211 [1,1,0,0,0,0|1,0,1]=4 2815 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210210 [1,1,0,0,0,0|1,0,1]=4 2816 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210211 [1,1,0,0,0,0|1,0,1]=4 2817 B14R1.20 CCCNNC(=O)c1cccc(c1)Br 22a_100000740057_100000210664 [1,1,0,0,0,0|2,0,0]=4 2818 B14R1.20 CCCNNC(=O)c1cccc(c1)C 22a_100000740057_100000189346 [1,1,0,0,0,0|2,0,0]=4 2819 B14R1.20 CCCNNC(=O)c1cccc(c1)Cl 22a_100000740057_100000210390 [1,1,0,0,0,0|2,0,0]=4 2820 B14R1.20 CCCNNC(=O)c1cccc(c1)F 22a_100000740057_100000210950 [1,1,0,0,0,0|2,0,0]=4 2821 B14R1.20 CCCNNC(=O)c1cccc(c1)I 22a_100000740057_100000184098 [1,1,0,0,0,0|2,0,0]=4 2822 B14R1.20 CCCNNC(=O)c1cccc(c1)O 22a_100000740057_100000183914 [1,1,0,0,0,0|2,0,0]=4 2823 B14R1.20 CCCOCC(=O)c1cccc(c1)Br 34a_100000210258_100000212080 [1,1,0,0,0,0|2,0,0]=4 2824 B14R1.20 CCCOCC(=O)c1cccc(c1)C 34a_100000210258_100000739480 [1,1,0,0,0,0|2,0,0]=4 2825 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 34a_100000210258_100000211444 [1,1,0,0,0,0|2,0,0]=4 2826 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210303 [1,1,0,0,0,0|2,0,0]=4 2827 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100000210258_100000215616 [1,1,0,0,0,0|2,0,0]=4 2828 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2829 B14R1.20 CCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2830 B14R1.20 CCCOCC(=O)c1cccc(c1)O 34a_100000210258_100009813753 [1,1,0,0,0,0|2,0,0]=4 2831 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000210303_100000212080 [1,1,0,0,0,0|2,0,0]=4 2832 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210303 [1,1,0,0,0,0|2,0,0]=4 2833 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000210303_100000739480 [1,1,0,0,0,0|2,0,0]=4 2834 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210303 [1,1,0,0,0,0|2,0,0]=4 2835 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000210303_100000211444 [1,1,0,0,0,0|2,0,0]=4 2836 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210303 [1,1,0,0,0,0|2,0,0]=4 2837 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000210303_100000215616 [1,1,0,0,0,0|2,0,0]=4 2838 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210303 [1,1,0,0,0,0|2,0,0]=4 2839 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100000210303_100009813753 [1,1,0,0,0,0|2,0,0]=4 2840 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210303 [1,1,0,0,0,0|2,0,0]=4 2841 B14R1.20 CCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215890 [1,1,0,0,0,0|2,0,0]=4 2842 B14R1.20 CCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215890 [1,1,0,0,0,0|2,0,0]=4 2843 B14R1.20 CCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215890 [1,1,0,0,0,0|2,0,0]=4 2844 B14R1.20 CCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215890 [1,1,0,0,0,0|2,0,0]=4 2845 B14R1.20 CCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215890 [1,1,0,0,0,0|2,0,0]=4 2846 B14R1.20 CCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215890 [1,1,0,0,0,0|2,0,0]=4 2847 B14R1.20 CCSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000757381 [1,1,0,0,0,0|2,0,0]=4 2848 B14R1.20 CCSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000757381 [1,1,0,0,0,0|2,0,0]=4 2849 B14R1.20 CCSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000757381 [1,1,0,0,0,0|2,0,0]=4 2850 B14R1.20 CCSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000757381 [1,1,0,0,0,0|2,0,0]=4 2851 B14R1.20 CCSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000757381 [1,1,0,0,0,0|2,0,0]=4 2852 B14R1.20 CCSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000757381 [1,1,0,0,0,0|2,0,0]=4 2853 B14R1.20 COCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000740836 [1,1,0,0,0,0|2,0,0]=4 2854 B14R1.20 COCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000740836 [1,1,0,0,0,0|2,0,0]=4 2855 B14R1.20 COCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000740836 [1,1,0,0,0,0|2,0,0]=4 2856 B14R1.20 COCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000740836 [1,1,0,0,0,0|2,0,0]=4 2857 B14R1.20 COCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000740836 [1,1,0,0,0,0|2,0,0]=4 2858 B14R1.20 COCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000740836 [1,1,0,0,0,0|2,0,0]=4 2859 B14R1.20 COCCNC(=O)c1cccc(c1)Br 1626a_100000209980_100000210664 [1,1,0,0,0,0|2,0,0]=4 2860 B14R1.20 COCCNC(=O)c1cccc(c1)Br 240690a_100000209980_100000210664 [1,1,0,0,0,0|2,0,0]=4 2861 B14R1.20 COCCNC(=O)c1cccc(c1)Br 34a_200000158903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2862 B14R1.20 COCCNC(=O)c1cccc(c1)Br 527a_100000209980_100000210664 [1,1,0,0,0,0|2,0,0]=4 2863 B14R1.20 COCCNC(=O)c1cccc(c1)Br 7a_200000158903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2864 B14R1.20 COCCNC(=O)c1cccc(c1)C 1626a_100000209980_100000189346 [1,1,0,0,0,0|2,0,0]=4 2865 B14R1.20 COCCNC(=O)c1cccc(c1)C 240690a_100000209980_100000189346 [1,1,0,0,0,0|2,0,0]=4 2866 B14R1.20 COCCNC(=O)c1cccc(c1)C 527a_100000209980_100000189346 [1,1,0,0,0,0|2,0,0]=4 2867 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 1626a_100000209980_100000210390 [1,1,0,0,0,0|2,0,0]=4 2868 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 240690a_100000209980_100000210390 [1,1,0,0,0,0|2,0,0]=4 2869 B14R1.20 COCCNC(=O)c1cccc(c1)Cl 527a_100000209980_100000210390 [1,1,0,0,0,0|2,0,0]=4 2870 B14R1.20 COCCNC(=O)c1cccc(c1)F 1626a_100000209980_100000210950 [1,1,0,0,0,0|2,0,0]=4 2871 B14R1.20 COCCNC(=O)c1cccc(c1)F 240690a_100000209980_100000210950 [1,1,0,0,0,0|2,0,0]=4 2872 B14R1.20 COCCNC(=O)c1cccc(c1)F 527a_100000209980_100000210950 [1,1,0,0,0,0|2,0,0]=4 2873 B14R1.20 COCCNC(=O)c1cccc(c1)I 1626a_100000209980_100000184098 [1,1,0,0,0,0|2,0,0]=4 2874 B14R1.20 COCCNC(=O)c1cccc(c1)I 240690a_100000209980_100000184098 [1,1,0,0,0,0|2,0,0]=4 2875 B14R1.20 COCCNC(=O)c1cccc(c1)I 527a_100000209980_100000184098 [1,1,0,0,0,0|2,0,0]=4 2876 B14R1.20 COCCNC(=O)c1cccc(c1)O 240690a_100000209980_100000183914 [1,1,0,0,0,0|2,0,0]=4 2877 B14R1.20 COCCNC(=O)c1cccc(c1)O 527a_100000209980_100000183914 [1,1,0,0,0,0|2,0,0]=4 2878 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 11a_100020590264_100000210664 [1,1,0,0,0,0|2,0,0]=4 2879 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 1626a_100020590264_100000210664 [1,1,0,0,0,0|2,0,0]=4 2880 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 240690a_100020590264_100000210664 [1,1,0,0,0,0|2,0,0]=4 2881 B14R1.20 CSCCNC(=O)c1cccc(c1)Br 527a_100020590264_100000210664 [1,1,0,0,0,0|2,0,0]=4 2882 B14R1.20 CSCCNC(=O)c1cccc(c1)C 11a_100020590264_100000189346 [1,1,0,0,0,0|2,0,0]=4 2883 B14R1.20 CSCCNC(=O)c1cccc(c1)C 1626a_100020590264_100000189346 [1,1,0,0,0,0|2,0,0]=4 2884 B14R1.20 CSCCNC(=O)c1cccc(c1)C 240690a_100020590264_100000189346 [1,1,0,0,0,0|2,0,0]=4 2885 B14R1.20 CSCCNC(=O)c1cccc(c1)C 527a_100020590264_100000189346 [1,1,0,0,0,0|2,0,0]=4 2886 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 11a_100020590264_100000210390 [1,1,0,0,0,0|2,0,0]=4 2887 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 1626a_100020590264_100000210390 [1,1,0,0,0,0|2,0,0]=4 2888 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 240690a_100020590264_100000210390 [1,1,0,0,0,0|2,0,0]=4 2889 B14R1.20 CSCCNC(=O)c1cccc(c1)Cl 527a_100020590264_100000210390 [1,1,0,0,0,0|2,0,0]=4 2890 B14R1.20 CSCCNC(=O)c1cccc(c1)F 11a_100020590264_100000210950 [1,1,0,0,0,0|2,0,0]=4 2891 B14R1.20 CSCCNC(=O)c1cccc(c1)F 1626a_100020590264_100000210950 [1,1,0,0,0,0|2,0,0]=4 2892 B14R1.20 CSCCNC(=O)c1cccc(c1)F 240690a_100020590264_100000210950 [1,1,0,0,0,0|2,0,0]=4 2893 B14R1.20 CSCCNC(=O)c1cccc(c1)F 527a_100020590264_100000210950 [1,1,0,0,0,0|2,0,0]=4 2894 B14R1.20 CSCCNC(=O)c1cccc(c1)I 11a_100020590264_100000184098 [1,1,0,0,0,0|2,0,0]=4 2895 B14R1.20 CSCCNC(=O)c1cccc(c1)I 1626a_100020590264_100000184098 [1,1,0,0,0,0|2,0,0]=4 2896 B14R1.20 CSCCNC(=O)c1cccc(c1)I 240690a_100020590264_100000184098 [1,1,0,0,0,0|2,0,0]=4 2897 B14R1.20 CSCCNC(=O)c1cccc(c1)I 527a_100020590264_100000184098 [1,1,0,0,0,0|2,0,0]=4 2898 B14R1.20 CSCCNC(=O)c1cccc(c1)O 240690a_100020590264_100000183914 [1,1,0,0,0,0|2,0,0]=4 2899 B14R1.20 CSCCNC(=O)c1cccc(c1)O 527a_100020590264_100000183914 [1,1,0,0,0,0|2,0,0]=4 2900 B14R1.20 Cc1cccc(c1)C(=O)CCCCF 1458a_100000189346_100000729493 [1,1,0,0,0,0|2,0,0]=4 2901 B14R1.20 Cc1cccc(c1)C(=O)CCCCO 1458a_100000189346_100000210776 [1,1,0,0,0,0|2,0,0]=4 2902 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 11a_100015189416_100000189346 [1,1,0,0,0,0|2,0,0]=4 2903 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 1626a_100015189416_100000189346 [1,1,0,0,0,0|2,0,0]=4 2904 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 240690a_100015189416_100000189346 [1,1,0,0,0,0|2,0,0]=4 2905 B14R1.20 Cc1cccc(c1)C(=O)NCCCF 527a_100015189416_100000189346 [1,1,0,0,0,0|2,0,0]=4 2906 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 240690a_100000182051_100000189346 [1,1,0,0,0,0|2,0,0]=4 2907 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 527a_100000182051_100000189346 [1,1,0,0,0,0|2,0,0]=4 2908 B14R1.20 NCCCNC(=O)c1cccc(c1)O 271570a_203496583355_100000748816 [1,1,0,0,0,0|2,0,0]=4 2909 B14R1.20 O=C(CCCCF)c1cccc(c1)Br 1458a_100000210664_100000729493 [1,1,0,0,0,0|2,0,0]=4 2910 B14R1.20 O=C(CCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729493 [1,1,0,0,0,0|2,0,0]=4 2911 B14R1.20 O=C(CCCCF)c1cccc(c1)F 1458a_100000210950_100000729493 [1,1,0,0,0,0|2,0,0]=4 2912 B14R1.20 O=C(CCCCF)c1cccc(c1)I 1458a_100000184098_100000729493 [1,1,0,0,0,0|2,0,0]=4 2913 B14R1.20 O=C(CCCCF)c1cccc(c1)O 1458a_100000183914_100000729493 [1,1,0,0,0,0|2,0,0]=4 2914 B14R1.20 O=C(CCCCO)c1cccc(c1)Br 1458a_100000210664_100000210776 [1,1,0,0,0,0|2,0,0]=4 2915 B14R1.20 O=C(CCCCO)c1cccc(c1)Cl 1458a_100000210390_100000210776 [1,1,0,0,0,0|2,0,0]=4 2916 B14R1.20 O=C(CCCCO)c1cccc(c1)F 1458a_100000210950_100000210776 [1,1,0,0,0,0|2,0,0]=4 2917 B14R1.20 O=C(CCCCO)c1cccc(c1)I 1458a_100000184098_100000210776 [1,1,0,0,0,0|2,0,0]=4 2918 B14R1.20 O=C(CCCCO)c1cccc(c1)O 1458a_100000183914_100000210776 [1,1,0,0,0,0|2,0,0]=4 2919 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 11a_100015189416_100000210664 [1,1,0,0,0,0|2,0,0]=4 2920 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 1626a_100015189416_100000210664 [1,1,0,0,0,0|2,0,0]=4 2921 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 240690a_100015189416_100000210664 [1,1,0,0,0,0|2,0,0]=4 2922 B14R1.20 O=C(NCCCF)c1cccc(c1)Br 527a_100015189416_100000210664 [1,1,0,0,0,0|2,0,0]=4 2923 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 11a_100015189416_100000210390 [1,1,0,0,0,0|2,0,0]=4 2924 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 1626a_100015189416_100000210390 [1,1,0,0,0,0|2,0,0]=4 2925 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 240690a_100015189416_100000210390 [1,1,0,0,0,0|2,0,0]=4 2926 B14R1.20 O=C(NCCCF)c1cccc(c1)Cl 527a_100015189416_100000210390 [1,1,0,0,0,0|2,0,0]=4 2927 B14R1.20 O=C(NCCCF)c1cccc(c1)F 11a_100015189416_100000210950 [1,1,0,0,0,0|2,0,0]=4 2928 B14R1.20 O=C(NCCCF)c1cccc(c1)F 1626a_100015189416_100000210950 [1,1,0,0,0,0|2,0,0]=4 2929 B14R1.20 O=C(NCCCF)c1cccc(c1)F 240690a_100015189416_100000210950 [1,1,0,0,0,0|2,0,0]=4 2930 B14R1.20 O=C(NCCCF)c1cccc(c1)F 527a_100015189416_100000210950 [1,1,0,0,0,0|2,0,0]=4 2931 B14R1.20 O=C(NCCCF)c1cccc(c1)I 11a_100015189416_100000184098 [1,1,0,0,0,0|2,0,0]=4 2932 B14R1.20 O=C(NCCCF)c1cccc(c1)I 1626a_100015189416_100000184098 [1,1,0,0,0,0|2,0,0]=4 2933 B14R1.20 O=C(NCCCF)c1cccc(c1)I 240690a_100015189416_100000184098 [1,1,0,0,0,0|2,0,0]=4 2934 B14R1.20 O=C(NCCCF)c1cccc(c1)I 527a_100015189416_100000184098 [1,1,0,0,0,0|2,0,0]=4 2935 B14R1.20 O=C(NCCCF)c1cccc(c1)O 240690a_100015189416_100000183914 [1,1,0,0,0,0|2,0,0]=4 2936 B14R1.20 O=C(NCCCF)c1cccc(c1)O 527a_100015189416_100000183914 [1,1,0,0,0,0|2,0,0]=4 2937 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 240690a_100000182051_100000210664 [1,1,0,0,0,0|2,0,0]=4 2938 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 527a_100000182051_100000210664 [1,1,0,0,0,0|2,0,0]=4 2939 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 240690a_100000182051_100000210390 [1,1,0,0,0,0|2,0,0]=4 2940 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 527a_100000182051_100000210390 [1,1,0,0,0,0|2,0,0]=4 2941 B14R1.20 O=C(NCCCO)c1cccc(c1)F 240690a_100000182051_100000210950 [1,1,0,0,0,0|2,0,0]=4 2942 B14R1.20 O=C(NCCCO)c1cccc(c1)F 527a_100000182051_100000210950 [1,1,0,0,0,0|2,0,0]=4 2943 B14R1.20 O=C(NCCCO)c1cccc(c1)I 240690a_100000182051_100000184098 [1,1,0,0,0,0|2,0,0]=4 2944 B14R1.20 O=C(NCCCO)c1cccc(c1)I 527a_100000182051_100000184098 [1,1,0,0,0,0|2,0,0]=4 2945 B14R1.20 O=C(NCCCO)c1cccc(c1)O 240690a_100000182051_100000183914 [1,1,0,0,0,0|2,0,0]=4 2946 B14R1.20 O=C(NCCCO)c1cccc(c1)O 527a_100000182051_100000183914 [1,1,0,0,0,0|2,0,0]=4 2947 B14R1.20 [13CH3]OCCNC(=O)c1cccc(c1)Br 34a_200000158903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2948 B14R1.20 [13CH3]OCCNC(=O)c1cccc(c1)Br 7a_200000158903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2949 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [1,1,0,0,0,0|1,0,1]=4 2950 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [1,1,0,0,0,0|1,0,1]=4 2951 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [1,1,0,0,0,0|1,0,0]=3 2952 B14R1.29 CCCC(C)NC(=O)c1ccccc1 11a_100000741246_100000185807 [1,1,0,0,0,0|1,0,0]=3 2953 B14R1.29 CCCC(C)NC(=O)c1ccccc1 1626a_100000741246_100000185807 [1,1,0,0,0,0|1,0,0]=3 2954 B14R1.29 CCCC(C)NC(=O)c1ccccc1 240690a_100000741246_100000185807 [1,1,0,0,0,0|1,0,0]=3 2955 B14R1.29 CCCC(C)NC(=O)c1ccccc1 527a_100000741246_100000185807 [1,1,0,0,0,0|1,0,0]=3 2956 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [1,1,0,0,0,0|1,0,1]=4 2957 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [1,1,0,0,0,0|1,0,1]=4 2958 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [1,1,0,0,0,0|1,0,1]=4 2959 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [1,1,0,0,0,0|1,0,1]=4 2960 B14R1.29 CCCN(C)CC(=O)c1ccccc1 269982a_100000747261_100000211460 [1,1,0,0,0,0|2,0,0]=4 2961 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 11a_100000764878_100000185807 [1,1,0,0,0,0|2,0,0]=4 2962 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 1626a_100000764878_100000185807 [1,1,0,0,0,0|2,0,0]=4 2963 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 240690a_100000764878_100000185807 [1,1,0,0,0,0|2,0,0]=4 2964 B14R1.29 COC[C@@H](C)NC(=O)c1ccccc1 527a_100000764878_100000185807 [1,1,0,0,0,0|2,0,0]=4 2965 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 240690a_100000706166_100000185807 [1,1,0,0,0,0|2,0,0]=4 2966 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 527a_100000706166_100000185807 [1,1,0,0,0,0|2,0,0]=4 2967 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [1,1,0,0,0,0|1,0,1]=4 2968 B14R1.38 C#CCCCNC(=O)c1ccccc1 11a_100000718082_100000185807 [1,1,0,0,0,0|1,0,1]=4 2969 B14R1.38 C#CCCCNC(=O)c1ccccc1 1626a_100000718082_100000185807 [1,1,0,0,0,0|1,0,1]=4 2970 B14R1.38 C#CCCCNC(=O)c1ccccc1 240690a_100000718082_100000185807 [1,1,0,0,0,0|1,0,1]=4 2971 B14R1.38 C#CCCCNC(=O)c1ccccc1 527a_100000718082_100000185807 [1,1,0,0,0,0|1,0,1]=4 2972 B14R1.38 C#CCSCOC(=O)c1ccccc1 62a_100000038162_100000073877 [1,1,0,0,0,0|0,0,2]=4 2973 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [1,1,0,0,0,0|1,0,1]=4 2974 B14R1.38 C=CCCCNC(=O)c1ccccc1 11a_100000700776_100000185807 [1,1,0,0,0,0|1,0,1]=4 2975 B14R1.38 C=CCCCNC(=O)c1ccccc1 1626a_100000700776_100000185807 [1,1,0,0,0,0|1,0,1]=4 2976 B14R1.38 C=CCCCNC(=O)c1ccccc1 240690a_100000700776_100000185807 [1,1,0,0,0,0|1,0,1]=4 2977 B14R1.38 C=CCCCNC(=O)c1ccccc1 527a_100000700776_100000185807 [1,1,0,0,0,0|1,0,1]=4 2978 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000073877_100000210623 [1,1,0,0,0,0|0,0,2]=4 2979 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000210623_100000073877 [1,1,0,0,0,0|0,0,2]=4 2980 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [1,1,0,0,0,0|1,0,1]=4 2981 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [1,1,0,0,0,0|1,0,1]=4 2982 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [1,1,0,0,0,0|1,0,1]=4 2983 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [1,1,0,0,0,0|1,0,1]=4 2984 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [1,1,0,0,0,0|1,0,1]=4 2985 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [1,1,0,0,0,0|1,0,1]=4 2986 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [1,1,0,0,0,0|1,0,1]=4 2987 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2988 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2989 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [1,1,0,0,0,0|1,0,1]=4 2990 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [1,1,0,0,0,0|1,0,1]=4 2991 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [1,1,0,0,0,0|1,0,0]=3 2992 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [1,1,0,0,0,0|1,0,0]=3 2993 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [1,1,0,0,0,0|1,0,0]=3 2994 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [1,1,0,0,0,0|1,0,0]=3 2995 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [1,1,0,0,0,0|1,0,0]=3 2996 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [1,1,0,0,0,0|1,0,1]=4 2997 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [1,1,0,0,0,0|1,0,1]=4 2998 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [1,1,0,0,0,0|1,0,1]=4 2999 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [1,1,0,0,0,0|1,0,1]=4 3000 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [1,1,0,0,0,0|1,0,0]=3 3001 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [1,1,0,0,0,0|2,0,0]=4 3002 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [1,1,0,0,0,0|2,0,0]=4 3003 B14R1.38 CCCCNN=C(C)c1ccccc1 4a_100025702795_100000185851 [1,1,0,0,0,0|2,0,0]=4 3004 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [1,1,0,0,0,0|1,0,0]=3 3005 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [1,1,0,0,0,0|0,0,0]=2 3006 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [1,1,0,0,0,0|0,0,0]=2 3007 B14R1.38 CCCCOCC(=O)c1ccccn1 34a_100000210227_100000027445 [1,1,0,0,0,0|1,0,0]=3 3008 B14R1.38 CCCCOCC(=O)c1ccccn1 7a_100000210227_100000027445 [1,1,0,0,0,0|1,0,0]=3 3009 B14R1.38 CCCCOCC(=O)c1ccncc1 7a_100000210227_100015248511 [1,1,0,0,0,0|1,0,0]=3 3010 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [1,1,0,0,0,0|1,0,1]=4 3011 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [1,1,0,0,0,0|1,0,1]=4 3012 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [1,1,0,0,0,0|1,0,1]=4 3013 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [1,1,0,0,0,0|1,0,1]=4 3014 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [1,1,0,0,0,0|0,0,2]=4 3015 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [1,1,0,0,0,0|0,0,2]=4 3016 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [1,1,0,0,0,0|2,0,0]=4 3017 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [1,1,0,0,0,0|2,0,0]=4 3018 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [1,1,0,0,0,0|2,0,0]=4 3019 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [1,1,0,0,0,0|1,0,1]=4 3020 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [1,1,0,0,0,0|0,0,2]=4 3021 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [1,1,0,0,0,0|0,0,2]=4 3022 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [1,1,0,0,0,0|0,1,0]=3 3023 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [1,1,0,0,0,0|0,1,0]=3 3024 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000027445_100000210210 [1,1,0,0,0,0|1,1,0]=4 3025 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000210211_100000027445 [1,1,0,0,0,0|1,1,0]=4 3026 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000210211_100000757877 [1,1,0,0,0,0|1,1,0]=4 3027 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000757877_100000210210 [1,1,0,0,0,0|1,1,0]=4 3028 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000027454_100000210210 [1,1,0,0,0,0|1,1,0]=4 3029 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000210211_100000027454 [1,1,0,0,0,0|1,1,0]=4 3030 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [1,1,0,0,0,0|1,1,0]=4 3031 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [1,1,0,0,0,0|1,0,0]=3 3032 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [1,1,0,0,0,0|1,0,0]=3 3033 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [1,1,0,0,0,0|1,0,0]=3 3034 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [1,1,0,0,0,0|2,0,0]=4 3035 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [1,1,0,0,0,0|0,0,0]=2 3036 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [1,1,0,0,0,0|0,0,0]=2 3037 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [1,1,0,0,0,0|1,0,0]=3 3038 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [1,1,0,0,0,0|1,0,0]=3 3039 B14R1.38 CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210202 [1,1,0,0,0,0|2,0,0]=4 3040 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [1,1,0,0,0,0|1,0,0]=3 3041 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [1,1,0,0,0,0|1,0,0]=3 3042 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [1,1,0,0,0,0|1,0,0]=3 3043 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [1,1,0,0,0,0|1,0,0]=3 3044 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [1,1,0,0,0,0|1,0,0]=3 3045 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [1,1,0,0,0,0|1,0,0]=3 3046 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [1,1,0,0,0,0|1,0,0]=3 3047 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [1,1,0,0,0,0|0,0,0]=2 3048 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [1,1,0,0,0,0|0,0,0]=2 3049 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [1,1,0,0,0,0|1,0,1]=4 3050 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [1,1,0,0,0,0|1,0,1]=4 3051 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [1,1,0,0,0,0|1,0,1]=4 3052 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [1,1,0,0,0,0|1,0,1]=4 3053 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [1,1,0,0,0,0|1,1,0]=4 3054 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [1,1,0,0,0,0|1,1,0]=4 3055 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [1,1,0,0,0,0|1,0,0]=3 3056 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [1,1,0,0,0,0|1,0,0]=3 3057 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [1,1,0,0,0,0|1,0,0]=3 3058 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [1,1,0,0,0,0|1,0,0]=3 3059 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [1,1,0,0,0,0|1,0,0]=3 3060 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [1,1,0,0,0,0|1,0,0]=3 3061 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [1,1,0,0,0,0|1,0,0]=3 3062 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [1,1,0,0,0,0|1,0,0]=3 3063 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [1,1,0,0,0,0|0,0,0]=2 3064 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [1,1,0,0,0,0|0,0,0]=2 3065 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [1,1,0,0,0,0|1,0,1]=4 3066 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [1,1,0,0,0,0|1,0,1]=4 3067 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [1,1,0,0,0,0|1,0,1]=4 3068 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [1,1,0,0,0,0|1,0,1]=4 3069 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [1,1,0,0,0,0|0,0,0]=2 3070 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [1,1,0,0,0,0|0,0,0]=2 3071 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [1,1,0,0,0,0|1,0,1]=4 3073 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [1,1,0,0,0,0|1,0,1]=4 3074 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [1,1,0,0,0,0|1,0,0]=3 3075 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [1,1,0,0,0,0|1,0,0]=3 3076 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [1,1,0,0,0,0|1,0,0]=3 3077 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [1,1,0,0,0,0|1,0,0]=3 3078 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [1,1,0,0,0,0|0,0,0]=2 3079 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [1,1,0,0,0,0|1,0,1]=4 3080 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [1,1,0,0,0,0|1,0,1]=4 3081 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [1,1,0,0,0,0|1,0,1]=4 3082 B14R1.38 COCCNNC(=O)c1ccccc1 22a_100000741390_100000185807 [1,1,0,0,0,0|2,0,0]=4 3083 B14R1.38 COCCOCC(=O)c1ccccn1 34a_100000210237_100000027445 [1,1,0,0,0,0|2,0,0]=4 3084 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [1,1,0,0,0,0|1,1,0]=4 3085 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [1,1,0,0,0,0|1,1,0]=4 3086 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [1,1,0,0,0,0|2,0,0]=4 3087 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [1,1,0,0,0,0|2,0,0]=4 3088 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [1,1,0,0,0,0|1,0,0]=3 3089 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [1,1,0,0,0,0|1,0,0]=3 3090 B14R1.38 CSCCCNC(=O)c1ccccc1 11a_100000749238_100000185807 [1,1,0,0,0,0|1,0,0]=3 3091 B14R1.38 CSCCCNC(=O)c1ccccc1 1626a_100000749238_100000185807 [1,1,0,0,0,0|1,0,0]=3 3092 B14R1.38 CSCCCNC(=O)c1ccccc1 240690a_100000749238_100000185807 [1,1,0,0,0,0|1,0,0]=3 3093 B14R1.38 CSCCCNC(=O)c1ccccc1 527a_100000749238_100000185807 [1,1,0,0,0,0|1,0,0]=3 3094 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [1,1,0,0,0,0|0,0,0]=2 3095 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [1,1,0,0,0,0|0,0,0]=2 3096 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [1,1,0,0,0,0|1,0,1]=4 3097 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [1,1,0,0,0,0|1,0,1]=4 3098 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [1,1,0,0,0,0|1,0,0]=3 3099 B14R1.38 CSCCOCC(=O)c1ccccn1 34a_100000230434_100000027445 [1,1,0,0,0,0|2,0,0]=4 3100 B14R1.38 CSCCOCC(=O)c1ccccn1 7a_100000230434_100000027445 [1,1,0,0,0,0|2,0,0]=4 3101 B14R1.38 CSCCOCC(=O)c1ccncc1 7a_100000230434_100015248511 [1,1,0,0,0,0|2,0,0]=4 3102 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [1,1,0,0,0,0|1,1,0]=4 3103 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [1,1,0,0,0,0|1,1,0]=4 3104 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [1,1,0,0,0,0|2,0,0]=4 3105 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [1,1,0,0,0,0|2,0,0]=4 3106 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [1,1,0,0,0,0|1,0,0]=3 3107 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [1,1,0,0,0,0|1,0,0]=3 3108 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [1,1,0,0,0,0|1,0,1]=4 3109 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [1,1,0,0,0,0|1,0,1]=4 3110 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [1,1,0,0,0,0|1,0,1]=4 3111 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [1,1,0,0,0,0|1,0,1]=4 3112 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [1,1,0,0,0,0|1,0,1]=4 3113 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100000073877_100011215382 [1,1,0,0,0,0|1,0,1]=4 3114 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100011215382_100000073877 [1,1,0,0,0,0|1,0,1]=4 3115 B14R1.38 NCCCOCC(=O)c1ccccn1 34a_100000182051_100000027445 [1,1,0,0,0,0|2,0,0]=4 3116 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [1,1,0,0,0,0|1,0,0]=3 3117 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [1,1,0,0,0,0|1,0,0]=3 3118 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [1,1,0,0,0,0|2,0,0]=4 3119 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [1,1,0,0,0,0|2,0,0]=4 3120 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [1,1,0,0,0,0|2,0,0]=4 3121 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [1,1,0,0,0,0|2,0,0]=4 3122 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [1,1,0,0,0,0|2,0,0]=4 3123 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [1,1,0,0,0,0|2,0,0]=4 3124 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [1,1,0,0,0,0|2,0,0]=4 3125 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [1,1,0,0,0,0|2,0,0]=4 3126 B14R1.38 O=C(COCCCBr)c1ccccn1 34a_100011217188_100000027445 [1,1,0,0,0,0|2,0,0]=4 3127 B14R1.38 O=C(COCCCCl)c1ccccn1 34a_100000230001_100000027445 [1,1,0,0,0,0|2,0,0]=4 3128 B14R1.38 O=C(COCCCF)c1ccccn1 34a_100000759539_100000027445 [1,1,0,0,0,0|2,0,0]=4 3129 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [1,1,0,0,0,0|1,1,0]=4 3130 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [1,1,0,0,0,0|1,1,0]=4 3131 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [1,1,0,0,0,0|1,1,0]=4 3132 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [1,1,0,0,0,0|1,1,0]=4 3133 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [1,1,0,0,0,0|1,0,0]=3 3134 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [1,1,0,0,0,0|1,0,0]=3 3135 B14R1.38 O=C(NCCOCF)c1ccccc1 34a_200000158897_100015361967 [1,1,0,0,0,0|2,0,0]=4 3136 B14R1.38 O=C(NCCOCF)c1ccccc1 7a_200000158897_100015361967 [1,1,0,0,0,0|2,0,0]=4 3137 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_100015361967_200011215302 [1,1,0,0,0,0|2,0,0]=4 3138 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_200011215302_100015361967 [1,1,0,0,0,0|2,0,0]=4 3139 B14R1.38 O=C(OCCOCF)c1ccccc1 7a_100000025465_100015361967 [1,1,0,0,0,0|1,0,0]=3 3140 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100009812718_100015361967 [1,1,0,0,0,0|1,0,0]=3 3141 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100015361967_100009812718 [1,1,0,0,0,0|1,0,0]=3 3142 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [1,1,0,0,0,0|1,0,0]=3 3143 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [1,1,0,0,0,0|1,0,0]=3 3144 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [1,1,0,0,0,0|1,0,0]=3 3145 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [1,1,0,0,0,0|1,0,0]=3 3146 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_100000073877_200015260668 [1,1,0,0,0,0|1,0,1]=4 3147 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_200015260668_100000073877 [1,1,0,0,0,0|1,0,1]=4 3148 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [1,1,0,0,0,0|0,0,0]=2 3149 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [1,1,0,0,0,0|0,0,0]=2 3150 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 270084a_100000102301_100000210345 [1,1,0,0,0,0|2,0,0]=4 3151 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 274078a_100000102301_100000210345 [1,1,0,0,0,0|2,0,0]=4 3152 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 40a_100000102301_100000032697 [1,1,0,0,0,0|2,0,0]=4 3153 B14R1.46 CCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210211 [1,1,0,0,0,0|1,0,1]=4 3154 B14R1.46 CCCCOC(F)(F)c1ccccc1 7a_100000210227_100000036403 [1,1,0,0,0,0|1,0,1]=4 3155 B14R1.46 CNCCOS(=O)(=O)c1ccccc1 34a_100102657272_200000070464 [1,1,0,0,0,0|2,0,0]=4 3156 B14R1.46 CNCCOS(=O)(=O)c1ccccc1 7a_106832991635_200000070464 [1,1,0,0,0,0|2,0,0]=4 3157 B14R1.46 COCCOS(=O)(=O)c1ccccc1 34a_100138415774_200000070464 [1,1,0,0,0,0|2,0,0]=4 3158 B14R1.46 CSCCOS(=O)(=O)c1ccccc1 62a_200000210301_200000070464 [1,1,0,0,0,0|2,0,0]=4 3159 B14R1.46 [13CH3]SCCOS(=O)(=O)c1ccccc1 62a_200025704644_200000070464 [1,1,0,0,0,0|2,0,0]=4 3160 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [1,1,0,0,0,0|1,0,1]=4 3161 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [1,1,0,0,0,0|1,0,1]=4 3162 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [1,1,0,0,0,0|1,0,1]=4 3163 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [1,1,0,0,0,0|1,0,1]=4 3164 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [1,1,0,0,0,0|1,0,1]=4 3165 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [1,1,0,0,0,0|1,0,1]=4 3166 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [1,1,0,0,0,0|1,0,1]=4 3167 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [1,1,0,0,0,0|1,0,1]=4 3168 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [1,1,0,0,0,0|1,0,1]=4 3169 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [1,1,0,0,0,0|1,0,1]=4 3170 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [1,1,0,0,0,0|1,0,1]=4 3171 B14R1.163 CC(CCC(=O)c1ccccc1)O[13CH3] 7a_200012571355_200025704644 [1,1,0,0,0,0|2,0,0]=4 3172 B14R1.163 CC(CO)CNC(=O)c1ccccc1 240690a_100000744482_100000185807 [1,1,0,0,0,0|2,0,0]=4 3173 B14R1.163 CC(CO)CNC(=O)c1ccccc1 527a_100000744482_100000185807 [1,1,0,0,0,0|2,0,0]=4 3174 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [1,1,0,0,0,0|1,0,1]=4 3175 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [1,1,0,0,0,0|1,0,1]=4 3176 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [1,1,0,0,0,0|0,0,1]=3 3177 B14R1.163 CCC(C)CNC(=O)c1ccccc1 11a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 3178 B14R1.163 CCC(C)CNC(=O)c1ccccc1 1626a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 3179 B14R1.163 CCC(C)CNC(=O)c1ccccc1 240690a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 3180 B14R1.163 CCC(C)CNC(=O)c1ccccc1 527a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 3181 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [1,1,0,0,0,0|1,0,1]=4 3182 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [1,1,0,0,0,0|1,0,1]=4 3183 B14R1.163 CCC(C)NNC(=O)c1ccccc1 22a_100000718999_100000185807 [1,1,0,0,0,0|2,0,0]=4 3184 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [1,1,0,0,0,0|2,0,0]=4 3185 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000758301 [1,1,0,0,0,0|2,0,0]=4 3186 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000758301_100000211460 [1,1,0,0,0,0|2,0,0]=4 3187 B14R1.163 CCC(O)CNC(=O)c1ccccc1 11a_100011218483_100000185807 [1,1,0,0,0,0|1,0,0]=3 3188 B14R1.163 CCC(O)CNC(=O)c1ccccc1 240690a_100011218483_100000185807 [1,1,0,0,0,0|1,0,0]=3 3189 B14R1.163 CCC(O)CNC(=O)c1ccccc1 527a_100011218483_100000185807 [1,1,0,0,0,0|1,0,0]=3 3190 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [1,1,0,0,0,0|1,0,1]=4 3191 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [1,1,0,0,0,0|1,0,1]=4 3192 B14R1.163 CCN(C)CCC(=O)c1ccccc1 2230a_100000225621_100000750707 [1,1,0,0,0,0|2,0,0]=4 3193 B14R1.163 CCN(C)CCC(=O)c1ccccc1 269982a_100000225621_100000750707 [1,1,0,0,0,0|2,0,0]=4 3194 B14R1.163 CCN(C)COC(=O)c1ccccc1 269982a_100000225621_100000073877 [1,1,0,0,0,0|1,0,0]=3 3195 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [1,1,0,0,0,0|1,0,1]=4 3196 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [1,1,0,0,0,0|1,0,1]=4 3197 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [1,1,0,0,0,0|1,0,1]=4 3198 B14R1.163 CNC(C)COC(=O)c1ccccc1 270004a_106832991635_100000000904 [1,1,0,0,0,0|1,0,0]=3 3199 B14R1.163 COC(C)CCC(=O)c1ccccc1 7a_200012571355_200000210301 [1,1,0,0,0,0|2,0,0]=4 3200 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 11a_100020591295_100000185807 [1,1,0,0,0,0|2,0,0]=4 3201 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 1626a_100020591295_100000185807 [1,1,0,0,0,0|2,0,0]=4 3202 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 240690a_100020591295_100000185807 [1,1,0,0,0,0|2,0,0]=4 3203 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 527a_100020591295_100000185807 [1,1,0,0,0,0|2,0,0]=4 3204 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [1,1,0,0,0,0|1,0,1]=4 3205 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000185807 [1,1,0,0,0,0|2,0,0]=4 3206 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000185807 [1,1,0,0,0,0|2,0,0]=4 3207 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000185807 [1,1,0,0,0,0|2,0,0]=4 3208 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000185807 [1,1,0,0,0,0|2,0,0]=4 3209 B14R1.166 C=C(C(=O)CCCC)c1ccccc1 1458a_100000065200_100000210211 [1,1,0,0,0,0|2,0,0]=4 3210 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [1,1,0,0,0,0|1,0,0]=3 3211 B14R1.166 CCCCN(C)C(=O)c1ccccc1 11a_100000207549_100000185807 [1,1,0,0,0,0|1,0,0]=3 3212 B14R1.166 CCCCN(C)C(=O)c1ccccc1 1626a_100000207549_100000185807 [1,1,0,0,0,0|1,0,0]=3 3213 B14R1.166 CCCCN(C)C(=O)c1ccccc1 240690a_100000207549_100000185807 [1,1,0,0,0,0|1,0,0]=3 3214 B14R1.166 CCCCN(C)C(=O)c1ccccc1 527a_100000207549_100000185807 [1,1,0,0,0,0|1,0,0]=3 3215 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000210303_100000239700 [1,1,0,0,0,0|2,0,0]=4 3216 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210303 [1,1,0,0,0,0|2,0,0]=4 3217 B14R1.166 CN(CCCO)C(=O)c1ccccc1 240690a_100000213112_100000185807 [1,1,0,0,0,0|2,0,0]=4 3218 B14R1.166 CN(CCCO)C(=O)c1ccccc1 527a_100000213112_100000185807 [1,1,0,0,0,0|2,0,0]=4 3219 B14R1.166 COCCN(C)C(=O)c1ccccc1 11a_100000743101_100000185807 [1,1,0,0,0,0|2,0,0]=4 3220 B14R1.166 COCCN(C)C(=O)c1ccccc1 1626a_100000743101_100000185807 [1,1,0,0,0,0|2,0,0]=4 3221 B14R1.166 COCCN(C)C(=O)c1ccccc1 240690a_100000743101_100000185807 [1,1,0,0,0,0|2,0,0]=4 3222 B14R1.166 COCCN(C)C(=O)c1ccccc1 527a_100000743101_100000185807 [1,1,0,0,0,0|2,0,0]=4 3223 B14R1.166 CSCCN(C)C(=O)c1ccccc1 11a_100000686725_100000185807 [1,1,0,0,0,0|2,0,0]=4 3224 B14R1.166 CSCCN(C)C(=O)c1ccccc1 1626a_100000686725_100000185807 [1,1,0,0,0,0|2,0,0]=4 3225 B14R1.166 CSCCN(C)C(=O)c1ccccc1 240690a_100000686725_100000185807 [1,1,0,0,0,0|2,0,0]=4 3226 B14R1.166 CSCCN(C)C(=O)c1ccccc1 527a_100000686725_100000185807 [1,1,0,0,0,0|2,0,0]=4 3227 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [1,1,0,0,0,0|1,0,0]=3 3228 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [1,1,0,0,0,0|1,0,0]=3 3229 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [1,1,0,0,0,0|1,0,0]=3 3230 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [1,1,0,0,0,0|1,0,0]=3 3231 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [1,1,0,0,0,0|1,0,0]=3 3232 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [1,1,0,0,0,0|1,0,0]=3 3233 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [1,1,0,0,0,0|1,0,0]=3 3234 B14R1.1035 CCCCNC(=O)c1ccccc1Br 11a_100000102301_100000188424 [1,1,0,0,0,0|1,0,0]=3 3235 B14R1.1035 CCCCNC(=O)c1ccccc1Br 1626a_100000102301_100000188424 [1,1,0,0,0,0|1,0,0]=3 3236 B14R1.1035 CCCCNC(=O)c1ccccc1Br 240690a_100000102301_100000188424 [1,1,0,0,0,0|1,0,0]=3 3237 B14R1.1035 CCCCNC(=O)c1ccccc1Br 527a_100000102301_100000188424 [1,1,0,0,0,0|1,0,0]=3 3238 B14R1.1035 CCCCNC(=O)c1ccccc1C 11a_100000102301_100000212026 [1,1,0,0,0,0|1,0,0]=3 3239 B14R1.1035 CCCCNC(=O)c1ccccc1C 1626a_100000102301_100000212026 [1,1,0,0,0,0|1,0,0]=3 3240 B14R1.1035 CCCCNC(=O)c1ccccc1C 240690a_100000102301_100000212026 [1,1,0,0,0,0|1,0,0]=3 3241 B14R1.1035 CCCCNC(=O)c1ccccc1C 527a_100000102301_100000212026 [1,1,0,0,0,0|1,0,0]=3 3242 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 11a_100000102301_100000185844 [1,1,0,0,0,0|1,0,0]=3 3243 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 1626a_100000102301_100000185844 [1,1,0,0,0,0|1,0,0]=3 3244 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 240690a_100000102301_100000185844 [1,1,0,0,0,0|1,0,0]=3 3245 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 527a_100000102301_100000185844 [1,1,0,0,0,0|1,0,0]=3 3246 B14R1.1035 CCCCNC(=O)c1ccccc1F 11a_100000102301_100000188656 [1,1,0,0,0,0|1,0,0]=3 3247 B14R1.1035 CCCCNC(=O)c1ccccc1F 1626a_100000102301_100000188656 [1,1,0,0,0,0|1,0,0]=3 3248 B14R1.1035 CCCCNC(=O)c1ccccc1F 240690a_100000102301_100000188656 [1,1,0,0,0,0|1,0,0]=3 3249 B14R1.1035 CCCCNC(=O)c1ccccc1F 527a_100000102301_100000188656 [1,1,0,0,0,0|1,0,0]=3 3250 B14R1.1035 CCCCNC(=O)c1ccccc1I 11a_100000102301_100000187884 [1,1,0,0,0,0|1,0,0]=3 3251 B14R1.1035 CCCCNC(=O)c1ccccc1I 1626a_100000102301_100000187884 [1,1,0,0,0,0|1,0,0]=3 3252 B14R1.1035 CCCCNC(=O)c1ccccc1I 240690a_100000102301_100000187884 [1,1,0,0,0,0|1,0,0]=3 3253 B14R1.1035 CCCCNC(=O)c1ccccc1I 527a_100000102301_100000187884 [1,1,0,0,0,0|1,0,0]=3 3254 B14R1.1035 CCCCNC(=O)c1ccccc1O 240690a_100000102301_100015234032 [1,1,0,0,0,0|1,0,0]=3 3255 B14R1.1035 CCCCNC(=O)c1ccccc1O 271570a_203496583355_200000154865 [1,1,0,0,0,0|1,0,0]=3 3256 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 1626a_100000102301_100009911694 [1,1,0,0,0,0|1,0,0]=3 3257 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 240690a_100000102301_100009911694 [1,1,0,0,0,0|1,0,0]=3 3258 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 527a_100000102301_100009911694 [1,1,0,0,0,0|1,0,0]=3 3259 B14R1.1035 CCCCOC(C)c1ccccc1Br 34a_100000702211_100000210210 [1,1,0,0,0,0|1,0,1]=4 3260 B14R1.1035 CCCCOC(C)c1ccccc1Br 7a_100000702211_100000210211 [1,1,0,0,0,0|1,0,1]=4 3261 B14R1.1035 CCCCOC(C)c1ccccc1C 34a_100000742021_100000210210 [1,1,0,0,0,0|1,0,1]=4 3262 B14R1.1035 CCCCOC(C)c1ccccc1C 7a_100000742021_100000210211 [1,1,0,0,0,0|1,0,1]=4 3263 B14R1.1035 CCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210210 [1,1,0,0,0,0|1,0,1]=4 3264 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000210227_100000181259 [1,1,0,0,0,0|1,0,1]=4 3265 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210211 [1,1,0,0,0,0|1,0,1]=4 3266 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000210227_200000741388 [1,1,0,0,0,0|1,0,1]=4 3267 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000697922_100000210210 [1,1,0,0,0,0|1,0,1]=4 3268 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000210227_200000741388 [1,1,0,0,0,0|1,0,1]=4 3269 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000697922_100000210211 [1,1,0,0,0,0|1,0,1]=4 3270 B14R1.1035 CCCCOC(C)c1ccccc1N 7a_100011405641_100000210211 [1,1,0,0,0,0|1,0,1]=4 3271 B14R1.1035 CCCNNC(=O)c1ccccc1Br 22a_100000740057_100000188424 [1,1,0,0,0,0|2,0,0]=4 3272 B14R1.1035 CCCNNC(=O)c1ccccc1C 22a_100000740057_100000212026 [1,1,0,0,0,0|2,0,0]=4 3273 B14R1.1035 CCCNNC(=O)c1ccccc1Cl 22a_100000740057_100000185844 [1,1,0,0,0,0|2,0,0]=4 3274 B14R1.1035 CCCNNC(=O)c1ccccc1F 22a_100000740057_100000188656 [1,1,0,0,0,0|2,0,0]=4 3275 B14R1.1035 CCCNNC(=O)c1ccccc1I 22a_100000740057_100000187884 [1,1,0,0,0,0|2,0,0]=4 3276 B14R1.1035 CCCNNC(=O)c1ccccc1O 22a_100000740057_100015234032 [1,1,0,0,0,0|2,0,0]=4 3277 B14R1.1035 CCCNNC(=O)c1ccccc1[O-] 22a_100000740057_100009911694 [1,1,0,0,0,0|2,0,0]=4 3278 B14R1.1035 CCCOCC(=O)c1ccccc1Br 34a_100000210258_100000199116 [1,1,0,0,0,0|2,0,0]=4 3279 B14R1.1035 CCCOCC(=O)c1ccccc1C 34a_100000210258_100000741374 [1,1,0,0,0,0|2,0,0]=4 3280 B14R1.1035 CCCOCC(=O)c1ccccc1Cl 34a_100000210258_100000211432 [1,1,0,0,0,0|2,0,0]=4 3281 B14R1.1035 CCCOCC(=O)c1ccccc1F 34a_100000210258_100000204681 [1,1,0,0,0,0|2,0,0]=4 3282 B14R1.1035 CCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210303 [1,1,0,0,0,0|2,0,0]=4 3283 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000210303_100000741374 [1,1,0,0,0,0|2,0,0]=4 3284 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000741374_100000210303 [1,1,0,0,0,0|2,0,0]=4 3285 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000210303_100000211432 [1,1,0,0,0,0|2,0,0]=4 3286 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210303 [1,1,0,0,0,0|2,0,0]=4 3287 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000204681_100000210303 [1,1,0,0,0,0|2,0,0]=4 3288 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000210303_100000204681 [1,1,0,0,0,0|2,0,0]=4 3289 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000188908_100000210303 [1,1,0,0,0,0|2,0,0]=4 3290 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000210303_100000188908 [1,1,0,0,0,0|2,0,0]=4 3291 B14R1.1035 CCNCCC(=O)c1ccccc1F 2230a_100015525214_100000086012 [1,1,0,0,0,0|2,0,0]=4 3292 B14R1.1035 CCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215890 [1,1,0,0,0,0|2,0,0]=4 3293 B14R1.1035 CCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215890 [1,1,0,0,0,0|2,0,0]=4 3294 B14R1.1035 CCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215890 [1,1,0,0,0,0|2,0,0]=4 3295 B14R1.1035 CCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215890 [1,1,0,0,0,0|2,0,0]=4 3296 B14R1.1035 CCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215890 [1,1,0,0,0,0|2,0,0]=4 3297 B14R1.1035 CCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215890 [1,1,0,0,0,0|2,0,0]=4 3298 B14R1.1035 CCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215890 [1,1,0,0,0,0|2,0,0]=4 3299 B14R1.1035 CCSCCC(=O)c1ccccc1Br 1458a_100000188424_100000757381 [1,1,0,0,0,0|2,0,0]=4 3300 B14R1.1035 CCSCCC(=O)c1ccccc1C 1458a_100000212026_100000757381 [1,1,0,0,0,0|2,0,0]=4 3301 B14R1.1035 CCSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000757381 [1,1,0,0,0,0|2,0,0]=4 3302 B14R1.1035 CCSCCC(=O)c1ccccc1F 1458a_100000188656_100000757381 [1,1,0,0,0,0|2,0,0]=4 3303 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000086012_100000210202 [1,1,0,0,0,0|2,0,0]=4 3304 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000210202_100000086012 [1,1,0,0,0,0|2,0,0]=4 3305 B14R1.1035 CCSCCC(=O)c1ccccc1I 1458a_100000187884_100000757381 [1,1,0,0,0,0|2,0,0]=4 3306 B14R1.1035 CCSCCC(=O)c1ccccc1O 1458a_100015234032_100000757381 [1,1,0,0,0,0|2,0,0]=4 3307 B14R1.1035 CCSCCC(=O)c1ccccc1O 62a_100000210202_100009873196 [1,1,0,0,0,0|2,0,0]=4 3308 B14R1.1035 CCSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000757381 [1,1,0,0,0,0|2,0,0]=4 3309 B14R1.1035 CNCCNC(=O)c1ccccc1Cl 2230a_100000737833_200000210301 [1,1,0,0,0,0|2,0,0]=4 3310 B14R1.1035 CNCCNC(=O)c1ccccc1Cl 34a_100000737833_200000210301 [1,1,0,0,0,0|2,0,0]=4 3311 B14R1.1035 COCCCC(=O)c1ccccc1Br 1458a_100000188424_100000740836 [1,1,0,0,0,0|2,0,0]=4 3312 B14R1.1035 COCCCC(=O)c1ccccc1C 1458a_100000212026_100000740836 [1,1,0,0,0,0|2,0,0]=4 3313 B14R1.1035 COCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000740836 [1,1,0,0,0,0|2,0,0]=4 3314 B14R1.1035 COCCCC(=O)c1ccccc1F 1458a_100000188656_100000740836 [1,1,0,0,0,0|2,0,0]=4 3315 B14R1.1035 COCCCC(=O)c1ccccc1I 1458a_100000187884_100000740836 [1,1,0,0,0,0|2,0,0]=4 3316 B14R1.1035 COCCCC(=O)c1ccccc1O 1458a_100015234032_100000740836 [1,1,0,0,0,0|2,0,0]=4 3317 B14R1.1035 COCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000740836 [1,1,0,0,0,0|2,0,0]=4 3318 B14R1.1035 COCCNC(=O)c1ccccc1Br 1626a_100000209980_100000188424 [1,1,0,0,0,0|2,0,0]=4 3319 B14R1.1035 COCCNC(=O)c1ccccc1Br 240690a_100000209980_100000188424 [1,1,0,0,0,0|2,0,0]=4 3320 B14R1.1035 COCCNC(=O)c1ccccc1Br 34a_200000158863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3321 B14R1.1035 COCCNC(=O)c1ccccc1Br 527a_100000209980_100000188424 [1,1,0,0,0,0|2,0,0]=4 3322 B14R1.1035 COCCNC(=O)c1ccccc1Br 7a_200000158863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B14R1.1035 COCCNC(=O)c1ccccc1C 1626a_100000209980_100000212026 [1,1,0,0,0,0|2,0,0]=4 3324 B14R1.1035 COCCNC(=O)c1ccccc1C 240690a_100000209980_100000212026 [1,1,0,0,0,0|2,0,0]=4 3325 B14R1.1035 COCCNC(=O)c1ccccc1C 527a_100000209980_100000212026 [1,1,0,0,0,0|2,0,0]=4 3326 B14R1.1035 COCCNC(=O)c1ccccc1Cl 1626a_100000209980_100000185844 [1,1,0,0,0,0|2,0,0]=4 3327 B14R1.1035 COCCNC(=O)c1ccccc1Cl 240690a_100000209980_100000185844 [1,1,0,0,0,0|2,0,0]=4 3328 B14R1.1035 COCCNC(=O)c1ccccc1Cl 527a_100000209980_100000185844 [1,1,0,0,0,0|2,0,0]=4 3329 B14R1.1035 COCCNC(=O)c1ccccc1F 1626a_100000209980_100000188656 [1,1,0,0,0,0|2,0,0]=4 3330 B14R1.1035 COCCNC(=O)c1ccccc1F 240690a_100000209980_100000188656 [1,1,0,0,0,0|2,0,0]=4 3331 B14R1.1035 COCCNC(=O)c1ccccc1F 527a_100000209980_100000188656 [1,1,0,0,0,0|2,0,0]=4 3332 B14R1.1035 COCCNC(=O)c1ccccc1I 1626a_100000209980_100000187884 [1,1,0,0,0,0|2,0,0]=4 3333 B14R1.1035 COCCNC(=O)c1ccccc1I 240690a_100000209980_100000187884 [1,1,0,0,0,0|2,0,0]=4 3334 B14R1.1035 COCCNC(=O)c1ccccc1I 527a_100000209980_100000187884 [1,1,0,0,0,0|2,0,0]=4 3335 B14R1.1035 COCCNC(=O)c1ccccc1O 240690a_100000209980_100015234032 [1,1,0,0,0,0|2,0,0]=4 3336 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 1626a_100000209980_100009911694 [1,1,0,0,0,0|2,0,0]=4 3337 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 240690a_100000209980_100009911694 [1,1,0,0,0,0|2,0,0]=4 3338 B14R1.1035 COCCNC(=O)c1ccccc1[O-] 527a_100000209980_100009911694 [1,1,0,0,0,0|2,0,0]=4 3339 B14R1.1035 CSCCNC(=O)c1ccccc1Br 11a_100020590264_100000188424 [1,1,0,0,0,0|2,0,0]=4 3340 B14R1.1035 CSCCNC(=O)c1ccccc1Br 1626a_100020590264_100000188424 [1,1,0,0,0,0|2,0,0]=4 3341 B14R1.1035 CSCCNC(=O)c1ccccc1Br 240690a_100020590264_100000188424 [1,1,0,0,0,0|2,0,0]=4 3342 B14R1.1035 CSCCNC(=O)c1ccccc1Br 527a_100020590264_100000188424 [1,1,0,0,0,0|2,0,0]=4 3343 B14R1.1035 CSCCNC(=O)c1ccccc1C 11a_100020590264_100000212026 [1,1,0,0,0,0|2,0,0]=4 3344 B14R1.1035 CSCCNC(=O)c1ccccc1C 1626a_100020590264_100000212026 [1,1,0,0,0,0|2,0,0]=4 3345 B14R1.1035 CSCCNC(=O)c1ccccc1C 240690a_100020590264_100000212026 [1,1,0,0,0,0|2,0,0]=4 3346 B14R1.1035 CSCCNC(=O)c1ccccc1C 527a_100020590264_100000212026 [1,1,0,0,0,0|2,0,0]=4 3347 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 11a_100020590264_100000185844 [1,1,0,0,0,0|2,0,0]=4 3348 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 1626a_100020590264_100000185844 [1,1,0,0,0,0|2,0,0]=4 3349 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 240690a_100020590264_100000185844 [1,1,0,0,0,0|2,0,0]=4 3350 B14R1.1035 CSCCNC(=O)c1ccccc1Cl 527a_100020590264_100000185844 [1,1,0,0,0,0|2,0,0]=4 3351 B14R1.1035 CSCCNC(=O)c1ccccc1F 11a_100020590264_100000188656 [1,1,0,0,0,0|2,0,0]=4 3352 B14R1.1035 CSCCNC(=O)c1ccccc1F 1626a_100020590264_100000188656 [1,1,0,0,0,0|2,0,0]=4 3353 B14R1.1035 CSCCNC(=O)c1ccccc1F 240690a_100020590264_100000188656 [1,1,0,0,0,0|2,0,0]=4 3354 B14R1.1035 CSCCNC(=O)c1ccccc1F 527a_100020590264_100000188656 [1,1,0,0,0,0|2,0,0]=4 3355 B14R1.1035 CSCCNC(=O)c1ccccc1I 11a_100020590264_100000187884 [1,1,0,0,0,0|2,0,0]=4 3356 B14R1.1035 CSCCNC(=O)c1ccccc1I 1626a_100020590264_100000187884 [1,1,0,0,0,0|2,0,0]=4 3357 B14R1.1035 CSCCNC(=O)c1ccccc1I 240690a_100020590264_100000187884 [1,1,0,0,0,0|2,0,0]=4 3358 B14R1.1035 CSCCNC(=O)c1ccccc1I 527a_100020590264_100000187884 [1,1,0,0,0,0|2,0,0]=4 3359 B14R1.1035 CSCCNC(=O)c1ccccc1O 240690a_100020590264_100015234032 [1,1,0,0,0,0|2,0,0]=4 3360 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 1626a_100020590264_100009911694 [1,1,0,0,0,0|2,0,0]=4 3361 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 240690a_100020590264_100009911694 [1,1,0,0,0,0|2,0,0]=4 3362 B14R1.1035 CSCCNC(=O)c1ccccc1[O-] 527a_100020590264_100009911694 [1,1,0,0,0,0|2,0,0]=4 3363 B14R1.1035 Cc1ccccc1C(=O)CCCCF 1458a_100000212026_100000729493 [1,1,0,0,0,0|2,0,0]=4 3364 B14R1.1035 Cc1ccccc1C(=O)CCCCO 1458a_100000212026_100000210776 [1,1,0,0,0,0|2,0,0]=4 3365 B14R1.1035 Cc1ccccc1C(=O)NCCCF 11a_100015189416_100000212026 [1,1,0,0,0,0|2,0,0]=4 3366 B14R1.1035 Cc1ccccc1C(=O)NCCCF 1626a_100015189416_100000212026 [1,1,0,0,0,0|2,0,0]=4 3367 B14R1.1035 Cc1ccccc1C(=O)NCCCF 240690a_100015189416_100000212026 [1,1,0,0,0,0|2,0,0]=4 3368 B14R1.1035 Cc1ccccc1C(=O)NCCCF 527a_100015189416_100000212026 [1,1,0,0,0,0|2,0,0]=4 3369 B14R1.1035 Cc1ccccc1C(=O)NCCCO 240690a_100000182051_100000212026 [1,1,0,0,0,0|2,0,0]=4 3370 B14R1.1035 Cc1ccccc1C(=O)NCCCO 527a_100000182051_100000212026 [1,1,0,0,0,0|2,0,0]=4 3371 B14R1.1035 O=C(CCCCF)c1ccccc1Br 1458a_100000188424_100000729493 [1,1,0,0,0,0|2,0,0]=4 3372 B14R1.1035 O=C(CCCCF)c1ccccc1Cl 1458a_100000185844_100000729493 [1,1,0,0,0,0|2,0,0]=4 3373 B14R1.1035 O=C(CCCCF)c1ccccc1F 1458a_100000188656_100000729493 [1,1,0,0,0,0|2,0,0]=4 3374 B14R1.1035 O=C(CCCCF)c1ccccc1I 1458a_100000187884_100000729493 [1,1,0,0,0,0|2,0,0]=4 3375 B14R1.1035 O=C(CCCCF)c1ccccc1O 1458a_100015234032_100000729493 [1,1,0,0,0,0|2,0,0]=4 3376 B14R1.1035 O=C(CCCCF)c1ccccc1[O-] 1458a_100009911694_100000729493 [1,1,0,0,0,0|2,0,0]=4 3377 B14R1.1035 O=C(CCCCO)c1ccccc1Br 1458a_100000188424_100000210776 [1,1,0,0,0,0|2,0,0]=4 3378 B14R1.1035 O=C(CCCCO)c1ccccc1Cl 1458a_100000185844_100000210776 [1,1,0,0,0,0|2,0,0]=4 3379 B14R1.1035 O=C(CCCCO)c1ccccc1F 1458a_100000188656_100000210776 [1,1,0,0,0,0|2,0,0]=4 3380 B14R1.1035 O=C(CCCCO)c1ccccc1I 1458a_100000187884_100000210776 [1,1,0,0,0,0|2,0,0]=4 3381 B14R1.1035 O=C(CCCCO)c1ccccc1O 1458a_100015234032_100000210776 [1,1,0,0,0,0|2,0,0]=4 3382 B14R1.1035 O=C(CCCCO)c1ccccc1[O-] 1458a_100009911694_100000210776 [1,1,0,0,0,0|2,0,0]=4 3383 B14R1.1035 O=C(NCCCF)c1ccccc1Br 11a_100015189416_100000188424 [1,1,0,0,0,0|2,0,0]=4 3384 B14R1.1035 O=C(NCCCF)c1ccccc1Br 1626a_100015189416_100000188424 [1,1,0,0,0,0|2,0,0]=4 3385 B14R1.1035 O=C(NCCCF)c1ccccc1Br 240690a_100015189416_100000188424 [1,1,0,0,0,0|2,0,0]=4 3386 B14R1.1035 O=C(NCCCF)c1ccccc1Br 527a_100015189416_100000188424 [1,1,0,0,0,0|2,0,0]=4 3387 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 11a_100015189416_100000185844 [1,1,0,0,0,0|2,0,0]=4 3388 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 1626a_100015189416_100000185844 [1,1,0,0,0,0|2,0,0]=4 3389 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 240690a_100015189416_100000185844 [1,1,0,0,0,0|2,0,0]=4 3390 B14R1.1035 O=C(NCCCF)c1ccccc1Cl 527a_100015189416_100000185844 [1,1,0,0,0,0|2,0,0]=4 3391 B14R1.1035 O=C(NCCCF)c1ccccc1F 11a_100015189416_100000188656 [1,1,0,0,0,0|2,0,0]=4 3392 B14R1.1035 O=C(NCCCF)c1ccccc1F 1626a_100015189416_100000188656 [1,1,0,0,0,0|2,0,0]=4 3393 B14R1.1035 O=C(NCCCF)c1ccccc1F 240690a_100015189416_100000188656 [1,1,0,0,0,0|2,0,0]=4 3394 B14R1.1035 O=C(NCCCF)c1ccccc1F 527a_100015189416_100000188656 [1,1,0,0,0,0|2,0,0]=4 3395 B14R1.1035 O=C(NCCCF)c1ccccc1I 11a_100015189416_100000187884 [1,1,0,0,0,0|2,0,0]=4 3396 B14R1.1035 O=C(NCCCF)c1ccccc1I 1626a_100015189416_100000187884 [1,1,0,0,0,0|2,0,0]=4 3397 B14R1.1035 O=C(NCCCF)c1ccccc1I 240690a_100015189416_100000187884 [1,1,0,0,0,0|2,0,0]=4 3398 B14R1.1035 O=C(NCCCF)c1ccccc1I 527a_100015189416_100000187884 [1,1,0,0,0,0|2,0,0]=4 3399 B14R1.1035 O=C(NCCCF)c1ccccc1O 240690a_100015189416_100015234032 [1,1,0,0,0,0|2,0,0]=4 3400 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 1626a_100015189416_100009911694 [1,1,0,0,0,0|2,0,0]=4 3401 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 240690a_100015189416_100009911694 [1,1,0,0,0,0|2,0,0]=4 3402 B14R1.1035 O=C(NCCCF)c1ccccc1[O-] 527a_100015189416_100009911694 [1,1,0,0,0,0|2,0,0]=4 3403 B14R1.1035 O=C(NCCCO)c1ccccc1Br 240690a_100000182051_100000188424 [1,1,0,0,0,0|2,0,0]=4 3404 B14R1.1035 O=C(NCCCO)c1ccccc1Br 527a_100000182051_100000188424 [1,1,0,0,0,0|2,0,0]=4 3405 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 240690a_100000182051_100000185844 [1,1,0,0,0,0|2,0,0]=4 3406 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 527a_100000182051_100000185844 [1,1,0,0,0,0|2,0,0]=4 3407 B14R1.1035 O=C(NCCCO)c1ccccc1F 240690a_100000182051_100000188656 [1,1,0,0,0,0|2,0,0]=4 3408 B14R1.1035 O=C(NCCCO)c1ccccc1F 527a_100000182051_100000188656 [1,1,0,0,0,0|2,0,0]=4 3409 B14R1.1035 O=C(NCCCO)c1ccccc1I 240690a_100000182051_100000187884 [1,1,0,0,0,0|2,0,0]=4 3410 B14R1.1035 O=C(NCCCO)c1ccccc1I 527a_100000182051_100000187884 [1,1,0,0,0,0|2,0,0]=4 3411 B14R1.1035 O=C(NCCCO)c1ccccc1O 240690a_100000182051_100015234032 [1,1,0,0,0,0|2,0,0]=4 3412 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 240690a_100000182051_100009911694 [1,1,0,0,0,0|2,0,0]=4 3413 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 527a_100000182051_100009911694 [1,1,0,0,0,0|2,0,0]=4 3414 B14R1.1035 [13CH3]NCCNC(=O)c1ccccc1Cl 2230a_100000737833_200025704644 [1,1,0,0,0,0|2,0,0]=4 3415 B14R1.1035 [13CH3]NCCNC(=O)c1ccccc1Cl 34a_100000737833_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B14R1.1035 [13CH3]OCCNC(=O)c1ccccc1Br 34a_200000158863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3417 B14R1.1035 [13CH3]OCCNC(=O)c1ccccc1Br 7a_200000158863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3418 B14R1.148 CC(Br)CCOCc1cccc(c1)Br 34a_100009893172_100000698116 [1,1,0,0,0,0|1,0,1]=4 3419 B14R1.148 CC(Br)CCOCc1cccc(c1)Cl 34a_100009893172_100000187163 [1,1,0,0,0,0|1,0,1]=4 3420 B14R1.148 CC(Br)CCOCc1cccc(c1)F 34a_100009893172_100000187166 [1,1,0,0,0,0|1,0,1]=4 3421 B14R1.148 CC(Br)CCOCc1cccc(c1)I 34a_100009893172_100011218688 [1,1,0,0,0,0|1,0,1]=4 3422 B14R1.148 CC(Br)CCOCc1cccc(c1)O 34a_100009893172_100011660834 [1,1,0,0,0,0|1,0,1]=4 3423 B14R1.148 CC(C)CCCNc1cccc(c1)Br 34a_100000210019_100011214892 [1,1,0,0,0,0|2,0,0]=4 3424 B14R1.148 CC(C)CCCNc1cccc(c1)Cl 34a_100000185859_100011214892 [1,1,0,0,0,0|2,0,0]=4 3425 B14R1.148 CC(C)CCCNc1cccc(c1)F 34a_100000210047_100011214892 [1,1,0,0,0,0|2,0,0]=4 3426 B14R1.148 CC(C)CCCNc1cccc(c1)I 34a_100000211102_100011214892 [1,1,0,0,0,0|2,0,0]=4 3427 B14R1.148 CC(C)CCCNc1cccc(c1)O 34a_100000210217_100011214892 [1,1,0,0,0,0|2,0,0]=4 3428 B14R1.148 CC(C)CCCOc1cccc(c1)Br 34a_100000210342_100011214892 [1,1,0,0,0,0|2,0,0]=4 3429 B14R1.148 CC(C)CCCOc1cccc(c1)Br 7a_100000210342_100011214892 [1,1,0,0,0,0|2,0,0]=4 3430 B14R1.148 CC(C)CCCOc1cccc(c1)Cl 34a_100000210295_100011214892 [1,1,0,0,0,0|2,0,0]=4 3431 B14R1.148 CC(C)CCCOc1cccc(c1)Cl 7a_100000210295_100011214892 [1,1,0,0,0,0|2,0,0]=4 3432 B14R1.148 CC(C)CCCOc1cccc(c1)F 34a_100000210426_100011214892 [1,1,0,0,0,0|2,0,0]=4 3433 B14R1.148 CC(C)CCCOc1cccc(c1)F 7a_100000210426_100011214892 [1,1,0,0,0,0|2,0,0]=4 3434 B14R1.148 CC(C)CCCOc1cccc(c1)I 34a_100000211634_100011214892 [1,1,0,0,0,0|2,0,0]=4 3435 B14R1.148 CC(C)CCCOc1cccc(c1)I 7a_100000211634_100011214892 [1,1,0,0,0,0|2,0,0]=4 3436 B14R1.148 CC(C)CCCOc1cccc(c1)N 34a_100000210217_100011214892 [1,1,0,0,0,0|2,0,0]=4 3437 B14R1.148 CC(C)CCCSc1cccc(c1)Br 62a_100000691529_100011214892 [1,1,0,0,0,0|2,0,0]=4 3438 B14R1.148 CC(C)CCCSc1cccc(c1)Br 62a_100011214892_100000691529 [1,1,0,0,0,0|2,0,0]=4 3439 B14R1.148 CC(C)CCCSc1cccc(c1)Cl 62a_100000699651_100011214892 [1,1,0,0,0,0|2,0,0]=4 3440 B14R1.148 CC(C)CCCSc1cccc(c1)Cl 62a_100011214892_100000699651 [1,1,0,0,0,0|2,0,0]=4 3441 B14R1.148 CC(C)CCCSc1cccc(c1)F 62a_100000685547_100011214892 [1,1,0,0,0,0|2,0,0]=4 3442 B14R1.148 CC(C)CCCSc1cccc(c1)F 62a_100011214892_100000685547 [1,1,0,0,0,0|2,0,0]=4 3443 B14R1.148 CC(C)CCCSc1cccc(c1)N 62a_100000210019_100011214892 [1,1,0,0,0,0|2,0,0]=4 3444 B14R1.148 CC(C)CCCSc1cccc(c1)N 62a_100011214892_100000210019 [1,1,0,0,0,0|2,0,0]=4 3445 B14R1.148 CC(C)CCCSc1cccc(c1)O 62a_100011214892_100000211634 [1,1,0,0,0,0|2,0,0]=4 3446 B14R1.148 CC(C)CCCSc1cccc(c1)[S] 62a_100011214892_114929384022 [1,1,0,0,0,0|2,0,0]=4 3447 B14R1.148 CC(C)CCCSc1cccc(c1)[S] 62a_114929384022_100011214892 [1,1,0,0,0,0|2,0,0]=4 3448 B14R1.148 CC(C)CCNCc1cccc(c1)Br 207a_100000210545_100000210085 [1,1,0,0,0,0|1,0,1]=4 3449 B14R1.148 CC(C)CCNCc1cccc(c1)Br 2230a_100000174977_100000210312 [1,1,0,0,0,0|1,0,1]=4 3450 B14R1.148 CC(C)CCNCc1cccc(c1)Br 269862a_100000174977_100000185833 [1,1,0,0,0,0|1,0,1]=4 3451 B14R1.148 CC(C)CCNCc1cccc(c1)Br 26a_100000210545_100000210342 [1,1,0,0,0,0|1,0,1]=4 3452 B14R1.148 CC(C)CCNCc1cccc(c1)Br 270004a_100000210545_100000210085 [1,1,0,0,0,0|1,0,1]=4 3453 B14R1.148 CC(C)CCNCc1cccc(c1)Br 34a_100000174977_100000210312 [1,1,0,0,0,0|1,0,1]=4 3454 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 207a_100000210545_100000210801 [1,1,0,0,0,0|1,0,1]=4 3455 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 2230a_100000174878_100000210312 [1,1,0,0,0,0|1,0,1]=4 3456 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 269862a_100000174878_100000185833 [1,1,0,0,0,0|1,0,1]=4 3457 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 270004a_100000210545_100000210801 [1,1,0,0,0,0|1,0,1]=4 3458 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 34a_100000174878_100000210312 [1,1,0,0,0,0|1,0,1]=4 3459 B14R1.148 CC(C)CCNCc1cccc(c1)F 207a_100000210545_100000210812 [1,1,0,0,0,0|1,0,1]=4 3460 B14R1.148 CC(C)CCNCc1cccc(c1)F 2230a_100000174948_100000210312 [1,1,0,0,0,0|1,0,1]=4 3461 B14R1.148 CC(C)CCNCc1cccc(c1)F 269862a_100000174948_100000185833 [1,1,0,0,0,0|1,0,1]=4 3462 B14R1.148 CC(C)CCNCc1cccc(c1)F 270004a_100000210545_100000210812 [1,1,0,0,0,0|1,0,1]=4 3463 B14R1.148 CC(C)CCNCc1cccc(c1)F 34a_100000174948_100000210312 [1,1,0,0,0,0|1,0,1]=4 3464 B14R1.148 CC(C)CCNCc1cccc(c1)I 207a_100000210545_100000014684 [1,1,0,0,0,0|1,0,1]=4 3465 B14R1.148 CC(C)CCNCc1cccc(c1)I 2230a_100000106179_100000210312 [1,1,0,0,0,0|1,0,1]=4 3466 B14R1.148 CC(C)CCNCc1cccc(c1)I 269862a_100000106179_100000185833 [1,1,0,0,0,0|1,0,1]=4 3467 B14R1.148 CC(C)CCNCc1cccc(c1)I 270004a_100000210545_100000014684 [1,1,0,0,0,0|1,0,1]=4 3468 B14R1.148 CC(C)CCNCc1cccc(c1)I 34a_100000106179_100000210312 [1,1,0,0,0,0|1,0,1]=4 3469 B14R1.148 CC(C)CCNCc1cccc(c1)O 207a_100000210545_100000188321 [1,1,0,0,0,0|1,0,1]=4 3470 B14R1.148 CC(C)CCNCc1cccc(c1)O 2230a_100000743036_100000210312 [1,1,0,0,0,0|1,0,1]=4 3471 B14R1.148 CC(C)CCNCc1cccc(c1)O 269862a_100000743036_100000185833 [1,1,0,0,0,0|1,0,1]=4 3472 B14R1.148 CC(C)CCNCc1cccc(c1)O 270004a_100000210545_100000188321 [1,1,0,0,0,0|1,0,1]=4 3473 B14R1.148 CC(C)CCNCc1cccc(c1)O 34a_100000743036_100000210312 [1,1,0,0,0,0|1,0,1]=4 3474 B14R1.148 CC(C)CCOCc1cc(ccn1)Br 34a_100000210254_100010173614 [1,1,0,0,0,0|1,0,1]=4 3475 B14R1.148 CC(C)CCOCc1cc(ccn1)Br 7a_100000210254_100010173614 [1,1,0,0,0,0|1,0,1]=4 3476 B14R1.148 CC(C)CCOCc1cc(ccn1)Cl 34a_100000210254_100016988179 [1,1,0,0,0,0|1,0,1]=4 3477 B14R1.148 CC(C)CCOCc1cc(ccn1)Cl 34a_100000748867_100000210312 [1,1,0,0,0,0|1,0,1]=4 3478 B14R1.148 CC(C)CCOCc1cc(ccn1)Cl 7a_100000210254_100016988179 [1,1,0,0,0,0|1,0,1]=4 3479 B14R1.148 CC(C)CCOCc1cc(ccn1)N 34a_100000692640_100000210312 [1,1,0,0,0,0|1,0,1]=4 3480 B14R1.148 CC(C)CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210312 [1,1,0,0,0,0|1,0,1]=4 3481 B14R1.148 CC(C)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210626 [1,1,0,0,0,0|1,0,1]=4 3482 B14R1.148 CC(C)CCOCc1cccc(c1)Br 34a_100000210254_100000698116 [1,1,0,0,0,0|0,0,1]=3 3483 B14R1.148 CC(C)CCOCc1cccc(c1)Br 34a_100000687537_100000210312 [1,1,0,0,0,0|0,0,1]=3 3484 B14R1.148 CC(C)CCOCc1cccc(c1)Br 7a_100000210254_100000211773 [1,1,0,0,0,0|0,0,1]=3 3485 B14R1.148 CC(C)CCOCc1cccc(c1)Br 7a_100000687537_100000210626 [1,1,0,0,0,0|0,0,1]=3 3486 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 34a_100000210254_100000187163 [1,1,0,0,0,0|0,0,1]=3 3487 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 34a_100000241301_100000210312 [1,1,0,0,0,0|0,0,1]=3 3488 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 7a_100000210254_100000187163 [1,1,0,0,0,0|0,0,1]=3 3489 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 7a_100000241301_100000210626 [1,1,0,0,0,0|0,0,1]=3 3490 B14R1.148 CC(C)CCOCc1cccc(c1)F 34a_100000210254_100000187166 [1,1,0,0,0,0|0,0,1]=3 3491 B14R1.148 CC(C)CCOCc1cccc(c1)F 34a_100000210976_100000210312 [1,1,0,0,0,0|0,0,1]=3 3492 B14R1.148 CC(C)CCOCc1cccc(c1)F 7a_100000210254_100000230114 [1,1,0,0,0,0|0,0,1]=3 3493 B14R1.148 CC(C)CCOCc1cccc(c1)F 7a_100000210976_100000210626 [1,1,0,0,0,0|0,0,1]=3 3494 B14R1.148 CC(C)CCOCc1cccc(c1)I 34a_100000210254_100011218688 [1,1,0,0,0,0|0,0,1]=3 3495 B14R1.148 CC(C)CCOCc1cccc(c1)I 34a_100011215336_100000210312 [1,1,0,0,0,0|0,0,1]=3 3496 B14R1.148 CC(C)CCOCc1cccc(c1)I 7a_100000210254_100011218688 [1,1,0,0,0,0|0,0,1]=3 3497 B14R1.148 CC(C)CCOCc1cccc(c1)I 7a_100011215336_100000210626 [1,1,0,0,0,0|0,0,1]=3 3498 B14R1.148 CC(C)CCOCc1cccc(c1)N 34a_100000211919_100000210312 [1,1,0,0,0,0|0,0,1]=3 3499 B14R1.148 CC(C)CCOCc1cccc(c1)O 34a_100000210254_100011660834 [1,1,0,0,0,0|0,0,1]=3 3500 B14R1.148 CC(C)CCOCc1cccc(c1)O 7a_100000210254_100000084143 [1,1,0,0,0,0|0,0,1]=3 3501 B14R1.148 CC(C)CCOCc1cccc(n1)Br 34a_100000210254_100009889011 [1,1,0,0,0,0|1,0,1]=4 3502 B14R1.148 CC(C)CCOCc1cccc(n1)Br 34a_100000694195_100000210312 [1,1,0,0,0,0|1,0,1]=4 3503 B14R1.148 CC(C)CCOCc1cccc(n1)Br 7a_100000210254_100009889011 [1,1,0,0,0,0|1,0,1]=4 3504 B14R1.148 CC(C)CCOCc1cccc(n1)Cl 34a_100000210254_100000086093 [1,1,0,0,0,0|1,0,1]=4 3505 B14R1.148 CC(C)CCOCc1cccc(n1)Cl 34a_100011998359_100000210312 [1,1,0,0,0,0|1,0,1]=4 3506 B14R1.148 CC(C)CCOCc1cccc(n1)Cl 7a_100000210254_100000086093 [1,1,0,0,0,0|1,0,1]=4 3507 B14R1.148 CC(C)CCOCc1cccc(n1)F 34a_100000086748_100000210312 [1,1,0,0,0,0|1,0,1]=4 3508 B14R1.148 CC(C)CCOCc1cccc(n1)F 34a_100000210254_100009819644 [1,1,0,0,0,0|1,0,1]=4 3509 B14R1.148 CC(C)CCOCc1cccc(n1)F 7a_100000210254_100009819644 [1,1,0,0,0,0|1,0,1]=4 3510 B14R1.148 CC(C)CCOCc1ccnc(c1)Br 34a_100000210254_100010243470 [1,1,0,0,0,0|1,0,1]=4 3511 B14R1.148 CC(C)CCOCc1ccnc(c1)Br 34a_100009814636_100000210312 [1,1,0,0,0,0|1,0,1]=4 3512 B14R1.148 CC(C)CCOCc1ccnc(c1)Br 7a_100000210254_100010254460 [1,1,0,0,0,0|1,0,1]=4 3513 B14R1.148 CC(C)CCOCc1ccnc(c1)Br 7a_100009814636_100000210626 [1,1,0,0,0,0|1,0,1]=4 3514 B14R1.148 CC(C)CCOCc1ccnc(c1)Cl 34a_100000210254_100000764220 [1,1,0,0,0,0|1,0,1]=4 3515 B14R1.148 CC(C)CCOCc1ccnc(c1)Cl 34a_100000748751_100000210312 [1,1,0,0,0,0|1,0,1]=4 3516 B14R1.148 CC(C)CCOCc1ccnc(c1)Cl 7a_100000210254_100000764220 [1,1,0,0,0,0|1,0,1]=4 3517 B14R1.148 CC(C)CCOCc1ccnc(c1)F 34a_100000082451_100000210312 [1,1,0,0,0,0|1,0,1]=4 3518 B14R1.148 CC(C)CCOCc1cncc(c1)Br 34a_100000210254_100000738771 [1,1,0,0,0,0|1,0,1]=4 3519 B14R1.148 CC(C)CCOCc1cncc(c1)Br 34a_100011259137_100000210312 [1,1,0,0,0,0|1,0,1]=4 3520 B14R1.148 CC(C)CCOCc1cncc(c1)Br 7a_100000210254_100000738771 [1,1,0,0,0,0|1,0,1]=4 3521 B14R1.148 CC(C)CCOCc1cncc(c1)Br 7a_100011259137_100000210626 [1,1,0,0,0,0|1,0,1]=4 3522 B14R1.148 CC(C)CCOCc1cncc(c1)Cl 34a_100000092867_100000210312 [1,1,0,0,0,0|1,0,1]=4 3523 B14R1.148 CC(C)CCOCc1cncc(c1)Cl 34a_100000210254_100016992070 [1,1,0,0,0,0|1,0,1]=4 3524 B14R1.148 CC(C)CCOCc1cncc(c1)Cl 7a_100000092867_100000210626 [1,1,0,0,0,0|1,0,1]=4 3525 B14R1.148 CC(C)CCOCc1cncc(c1)Cl 7a_100000210254_100016992070 [1,1,0,0,0,0|1,0,1]=4 3526 B14R1.148 CC(C)CCOCc1cncc(c1)F 34a_100000210254_100000725299 [1,1,0,0,0,0|1,0,1]=4 3527 B14R1.148 CC(C)CCOCc1cncc(c1)F 34a_100011962875_100000210312 [1,1,0,0,0,0|1,0,1]=4 3528 B14R1.148 CC(C)CCOCc1cncc(c1)F 7a_100000210254_100000725299 [1,1,0,0,0,0|1,0,1]=4 3529 B14R1.148 CC(C)CCOCc1cncc(c1)F 7a_100011962875_100000210626 [1,1,0,0,0,0|1,0,1]=4 3530 B14R1.148 CC(C)CCOCc1cncc(c1)N 34a_100000085308_100000210312 [1,1,0,0,0,0|1,0,1]=4 3531 B14R1.148 CC(C)CCSCc1cccc(c1)Br 62a_100000210312_100000211773 [1,1,0,0,0,0|0,1,1]=4 3532 B14R1.148 CC(C)CCSCc1cccc(c1)Br 62a_100000211773_100000210312 [1,1,0,0,0,0|0,1,1]=4 3533 B14R1.148 CC(C)CCSCc1cccc(c1)Cl 62a_100000187163_100000210312 [1,1,0,0,0,0|0,1,1]=4 3534 B14R1.148 CC(C)CCSCc1cccc(c1)Cl 62a_100000210312_100000187163 [1,1,0,0,0,0|0,1,1]=4 3535 B14R1.148 CC(C)CCSCc1cccc(c1)F 62a_100000210312_100000230114 [1,1,0,0,0,0|0,1,1]=4 3536 B14R1.148 CC(C)CCSCc1cccc(c1)F 62a_100000230114_100000210312 [1,1,0,0,0,0|0,1,1]=4 3537 B14R1.148 CC(C)CCSCc1cccc(c1)I 62a_100000210312_100011218688 [1,1,0,0,0,0|0,1,1]=4 3538 B14R1.148 CC(C)CCSCc1cccc(c1)I 62a_100011218688_100000210312 [1,1,0,0,0,0|0,1,1]=4 3539 B14R1.148 CC(C)CCSCc1cccc(c1)O 62a_100000210312_100011660834 [1,1,0,0,0,0|0,1,1]=4 3540 B14R1.148 CC(C)CCSCc1cccc(c1)O 62a_100011660834_100000210312 [1,1,0,0,0,0|0,1,1]=4 3541 B14R1.148 CC(C)OCOCc1cccc(c1)Br 34a_100000687537_100000709892 [1,1,0,0,0,0|1,0,1]=4 3542 B14R1.148 CC(C)OCOCc1cccc(c1)Cl 34a_100000241301_100000709892 [1,1,0,0,0,0|1,0,1]=4 3543 B14R1.148 CC(C)OCOCc1cccc(c1)F 34a_100000210976_100000709892 [1,1,0,0,0,0|1,0,1]=4 3544 B14R1.148 CC(C)OCOCc1cccc(c1)I 34a_100011215336_100000709892 [1,1,0,0,0,0|1,0,1]=4 3545 B14R1.148 CC(C)OCOCc1cccc(c1)N 34a_100000211919_100000709892 [1,1,0,0,0,0|1,0,1]=4 3546 B14R1.148 CC(O)CCOCc1cccc(c1)Br 34a_100000687537_100012276601 [1,1,0,0,0,0|1,0,1]=4 3547 B14R1.148 CC(O)CCOCc1cccc(c1)Br 7a_100000687537_100012276601 [1,1,0,0,0,0|1,0,1]=4 3548 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 34a_100000241301_100012276601 [1,1,0,0,0,0|1,0,1]=4 3549 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 7a_100000241301_100012276601 [1,1,0,0,0,0|1,0,1]=4 3550 B14R1.148 CC(O)CCOCc1cccc(c1)F 34a_100000210976_100012276601 [1,1,0,0,0,0|1,0,1]=4 3551 B14R1.148 CC(O)CCOCc1cccc(c1)F 7a_100000210976_100012276601 [1,1,0,0,0,0|1,0,1]=4 3552 B14R1.148 CC(O)CCOCc1cccc(c1)I 34a_100011215336_100012276601 [1,1,0,0,0,0|1,0,1]=4 3553 B14R1.148 CC(O)CCOCc1cccc(c1)I 7a_100011215336_100012276601 [1,1,0,0,0,0|1,0,1]=4 3554 B14R1.148 CC(O)CCOCc1cccc(c1)N 34a_100000211919_100012276601 [1,1,0,0,0,0|1,0,1]=4 3555 B14R1.148 CN(C)CCOCc1cccc(c1)Br 7a_100000687537_100000755713 [1,1,0,0,0,0|1,0,1]=4 3556 B14R1.148 CN(C)CCOCc1cccc(c1)Cl 7a_100000241301_100000755713 [1,1,0,0,0,0|1,0,1]=4 3557 B14R1.148 CN(C)CCOCc1cccc(c1)F 7a_100000210976_100000755713 [1,1,0,0,0,0|1,0,1]=4 3558 B14R1.148 CN(C)CCOCc1cccc(c1)I 7a_100011215336_100000755713 [1,1,0,0,0,0|1,0,1]=4 3559 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)Br 34a_100000706166_100000698116 [1,1,0,0,0,0|1,0,1]=4 3560 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)Cl 34a_100000706166_100000187163 [1,1,0,0,0,0|1,0,1]=4 3561 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)F 34a_100000706166_100000187166 [1,1,0,0,0,0|1,0,1]=4 3562 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)I 34a_100000706166_100011218688 [1,1,0,0,0,0|1,0,1]=4 3563 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)O 34a_100000706166_100011660834 [1,1,0,0,0,0|1,0,1]=4 3564 B14R1.148 Cc1cc(ccn1)COCCC(C)C 34a_100000210254_200020672517 [1,1,0,0,0,0|1,0,1]=4 3565 B14R1.148 Cc1cc(ccn1)COCCC(C)C 34a_100011998630_100000210312 [1,1,0,0,0,0|1,0,1]=4 3566 B14R1.148 Cc1cc(ccn1)COCCC(C)C 7a_100000210254_200020672517 [1,1,0,0,0,0|1,0,1]=4 3567 B14R1.148 Cc1cccc(c1)CNCCC(C)C 207a_100000210545_100000211157 [1,1,0,0,0,0|1,0,1]=4 3568 B14R1.148 Cc1cccc(c1)CNCCC(C)C 2230a_100000185548_100000210312 [1,1,0,0,0,0|1,0,1]=4 3569 B14R1.148 Cc1cccc(c1)CNCCC(C)C 269862a_100000185548_100000185833 [1,1,0,0,0,0|1,0,1]=4 3570 B14R1.148 Cc1cccc(c1)CNCCC(C)C 270004a_100000210545_100000211157 [1,1,0,0,0,0|1,0,1]=4 3571 B14R1.148 Cc1cccc(c1)CNCCC(C)C 34a_100000185548_100000210312 [1,1,0,0,0,0|1,0,1]=4 3572 B14R1.148 Cc1cccc(c1)COCCC(C)Br 34a_100009893172_100000211840 [1,1,0,0,0,0|1,0,1]=4 3573 B14R1.148 Cc1cccc(c1)COCCC(C)C 34a_100000210254_100000211840 [1,1,0,0,0,0|0,0,1]=3 3574 B14R1.148 Cc1cccc(c1)COCCC(C)C 34a_100011217746_100000210312 [1,1,0,0,0,0|0,0,1]=3 3575 B14R1.148 Cc1cccc(c1)COCCC(C)C 7a_100000210254_100000211840 [1,1,0,0,0,0|0,0,1]=3 3576 B14R1.148 Cc1cccc(c1)COCCC(C)C 7a_100011217746_100000210626 [1,1,0,0,0,0|0,0,1]=3 3577 B14R1.148 Cc1cccc(c1)COCCC(C)O 34a_100011217746_100012276601 [1,1,0,0,0,0|1,0,1]=4 3578 B14R1.148 Cc1cccc(c1)COCCC(C)O 7a_100011217746_100012276601 [1,1,0,0,0,0|1,0,1]=4 3579 B14R1.148 Cc1cccc(c1)COCCN(C)C 7a_100011217746_100000755713 [1,1,0,0,0,0|1,0,1]=4 3580 B14R1.148 Cc1cccc(c1)COCC[C@@H](C)N 34a_100000706166_100000211840 [1,1,0,0,0,0|1,0,1]=4 3581 B14R1.148 Cc1cccc(c1)COCOC(C)C 34a_100011217746_100000709892 [1,1,0,0,0,0|1,0,1]=4 3582 B14R1.148 Cc1cccc(c1)CSCCC(C)C 62a_100000210312_100000211840 [1,1,0,0,0,0|0,1,1]=4 3583 B14R1.148 Cc1cccc(c1)CSCCC(C)C 62a_100000211840_100000210312 [1,1,0,0,0,0|0,1,1]=4 3584 B14R1.148 Cc1cccc(c1)NCCCC(C)C 2230a_100000188690_100011214892 [1,1,0,0,0,0|2,0,0]=4 3585 B14R1.148 Cc1cccc(c1)NCCCC(C)C 34a_100000188690_100011214892 [1,1,0,0,0,0|2,0,0]=4 3586 B14R1.148 Cc1cccc(c1)OCCCC(C)C 34a_100000210337_100011214892 [1,1,0,0,0,0|2,0,0]=4 3587 B14R1.148 Cc1cccc(c1)OCCCC(C)C 7a_100000210337_100011214892 [1,1,0,0,0,0|2,0,0]=4 3588 B14R1.148 Cc1cccc(c1)SCCCC(C)C 62a_100011214892_100011215228 [1,1,0,0,0,0|2,0,0]=4 3589 B14R1.148 Cc1cccc(c1)SCCCC(C)C 62a_100011215228_100011214892 [1,1,0,0,0,0|2,0,0]=4 3590 B14R1.148 Cc1cccc(n1)COCCC(C)C 34a_100000210254_100000757606 [1,1,0,0,0,0|1,0,1]=4 3591 B14R1.148 Cc1cccc(n1)COCCC(C)C 34a_100000690600_100000210312 [1,1,0,0,0,0|1,0,1]=4 3592 B14R1.148 Cc1cccc(n1)COCCC(C)C 7a_100000210254_100000757606 [1,1,0,0,0,0|1,0,1]=4 3593 B14R1.148 Cc1ccnc(c1)COCCC(C)C 34a_100000210254_100000718516 [1,1,0,0,0,0|1,0,1]=4 3594 B14R1.148 Cc1ccnc(c1)COCCC(C)C 34a_100011998357_100000210312 [1,1,0,0,0,0|1,0,1]=4 3595 B14R1.148 Cc1ccnc(c1)COCCC(C)C 7a_100000210254_100000718516 [1,1,0,0,0,0|1,0,1]=4 3596 B14R1.148 Cc1cncc(c1)COCCC(C)C 34a_100000210254_100000716715 [1,1,0,0,0,0|1,0,1]=4 3597 B14R1.148 Cc1cncc(c1)COCCC(C)C 34a_100011998709_100000210312 [1,1,0,0,0,0|1,0,1]=4 3598 B14R1.148 Cc1cncc(c1)COCCC(C)C 7a_100000210254_100000716715 [1,1,0,0,0,0|1,0,1]=4 3599 B14R1.148 Cc1cncc(c1)COCCC(C)C 7a_100011998709_100000210626 [1,1,0,0,0,0|1,0,1]=4 3600 B14R1.159 CC(Br)CCOCc1ccccc1Br 34a_100009893172_100000184730 [1,1,0,0,0,0|1,0,1]=4 3601 B14R1.159 CC(Br)CCOCc1ccccc1Cl 34a_100009893172_100000187162 [1,1,0,0,0,0|1,0,1]=4 3602 B14R1.159 CC(Br)CCOCc1ccccc1F 34a_100009893172_100000211605 [1,1,0,0,0,0|1,0,1]=4 3603 B14R1.159 CC(Br)CCOCc1ccccc1I 34a_100009893172_100011215278 [1,1,0,0,0,0|1,0,1]=4 3604 B14R1.159 CC(C)CCCNc1ccccc1Br 34a_100000210017_100011214892 [1,1,0,0,0,0|2,0,0]=4 3605 B14R1.159 CC(C)CCCNc1ccccc1Cl 34a_100000185783_100011214892 [1,1,0,0,0,0|2,0,0]=4 3606 B14R1.159 CC(C)CCCNc1ccccc1F 34a_100000210422_100011214892 [1,1,0,0,0,0|2,0,0]=4 3607 B14R1.159 CC(C)CCCNc1ccccc1I 34a_100000210053_100011214892 [1,1,0,0,0,0|2,0,0]=4 3608 B14R1.159 CC(C)CCCNc1ccccc1O 34a_100000185747_100011214892 [1,1,0,0,0,0|2,0,0]=4 3609 B14R1.159 CC(C)CCCOc1ccccc1Br 34a_100000181306_100011214892 [1,1,0,0,0,0|2,0,0]=4 3610 B14R1.159 CC(C)CCCOc1ccccc1Br 7a_100000181306_100011214892 [1,1,0,0,0,0|2,0,0]=4 3611 B14R1.159 CC(C)CCCOc1ccccc1Cl 34a_100000210172_100011214892 [1,1,0,0,0,0|2,0,0]=4 3612 B14R1.159 CC(C)CCCOc1ccccc1Cl 7a_100000210172_100011214892 [1,1,0,0,0,0|2,0,0]=4 3613 B14R1.159 CC(C)CCCOc1ccccc1F 34a_100000210171_100011214892 [1,1,0,0,0,0|2,0,0]=4 3614 B14R1.159 CC(C)CCCOc1ccccc1F 7a_100000210171_100011214892 [1,1,0,0,0,0|2,0,0]=4 3615 B14R1.159 CC(C)CCCOc1ccccc1I 34a_100000739446_100011214892 [1,1,0,0,0,0|2,0,0]=4 3616 B14R1.159 CC(C)CCCOc1ccccc1I 7a_100000739446_100011214892 [1,1,0,0,0,0|2,0,0]=4 3617 B14R1.159 CC(C)CCCOc1ccccc1N 34a_100000185747_100011214892 [1,1,0,0,0,0|2,0,0]=4 3618 B14R1.159 CC(C)CCCOc1ccccc1N 7a_100000185747_100011214892 [1,1,0,0,0,0|2,0,0]=4 3619 B14R1.159 CC(C)CCCSc1ccccc1Br 62a_100000695589_100011214892 [1,1,0,0,0,0|2,0,0]=4 3620 B14R1.159 CC(C)CCCSc1ccccc1Br 62a_100011214892_100000695589 [1,1,0,0,0,0|2,0,0]=4 3621 B14R1.159 CC(C)CCCSc1ccccc1Cl 62a_100000764095_100011214892 [1,1,0,0,0,0|2,0,0]=4 3622 B14R1.159 CC(C)CCCSc1ccccc1Cl 62a_100011214892_100000764095 [1,1,0,0,0,0|2,0,0]=4 3623 B14R1.159 CC(C)CCCSc1ccccc1F 62a_100011214892_100011215700 [1,1,0,0,0,0|2,0,0]=4 3624 B14R1.159 CC(C)CCCSc1ccccc1F 62a_100011215700_100011214892 [1,1,0,0,0,0|2,0,0]=4 3625 B14R1.159 CC(C)CCCSc1ccccc1N 62a_100000210017_100011214892 [1,1,0,0,0,0|2,0,0]=4 3626 B14R1.159 CC(C)CCCSc1ccccc1N 62a_100011214892_100000210017 [1,1,0,0,0,0|2,0,0]=4 3627 B14R1.159 CC(C)CCCSc1ccccc1O 62a_100000739446_100011214892 [1,1,0,0,0,0|2,0,0]=4 3628 B14R1.159 CC(C)CCCSc1ccccc1O 62a_100011214892_100000739446 [1,1,0,0,0,0|2,0,0]=4 3629 B14R1.159 CC(C)CCNCc1ccccc1Br 207a_100000210545_100000211189 [1,1,0,0,0,0|1,0,1]=4 3630 B14R1.159 CC(C)CCNCc1ccccc1Br 2230a_100000689332_100000210312 [1,1,0,0,0,0|1,0,1]=4 3631 B14R1.159 CC(C)CCNCc1ccccc1Br 269862a_100000689332_100000185833 [1,1,0,0,0,0|1,0,1]=4 3632 B14R1.159 CC(C)CCNCc1ccccc1Br 26a_100000210545_100000181306 [1,1,0,0,0,0|1,0,1]=4 3633 B14R1.159 CC(C)CCNCc1ccccc1Br 270004a_100000210545_100000211189 [1,1,0,0,0,0|1,0,1]=4 3634 B14R1.159 CC(C)CCNCc1ccccc1Br 34a_100000689332_100000210312 [1,1,0,0,0,0|1,0,1]=4 3635 B14R1.159 CC(C)CCNCc1ccccc1Cl 207a_100000210545_100000210073 [1,1,0,0,0,0|1,0,1]=4 3636 B14R1.159 CC(C)CCNCc1ccccc1Cl 2230a_100000174879_100000210312 [1,1,0,0,0,0|1,0,1]=4 3637 B14R1.159 CC(C)CCNCc1ccccc1Cl 269862a_100000174879_100000185833 [1,1,0,0,0,0|1,0,1]=4 3638 B14R1.159 CC(C)CCNCc1ccccc1Cl 26a_100000210545_100000210172 [1,1,0,0,0,0|1,0,1]=4 3639 B14R1.159 CC(C)CCNCc1ccccc1Cl 270004a_100000210545_100000210073 [1,1,0,0,0,0|1,0,1]=4 3640 B14R1.159 CC(C)CCNCc1ccccc1Cl 34a_100000174879_100000210312 [1,1,0,0,0,0|1,0,1]=4 3641 B14R1.159 CC(C)CCNCc1ccccc1F 207a_100000210545_100000210811 [1,1,0,0,0,0|1,0,1]=4 3642 B14R1.159 CC(C)CCNCc1ccccc1F 269862a_100000174869_100000185833 [1,1,0,0,0,0|1,0,1]=4 3643 B14R1.159 CC(C)CCNCc1ccccc1F 270004a_100000210545_100000210811 [1,1,0,0,0,0|1,0,1]=4 3644 B14R1.159 CC(C)CCNCc1ccccc1F 34a_100000174869_100000210312 [1,1,0,0,0,0|1,0,1]=4 3645 B14R1.159 CC(C)CCNCc1ccccc1I 207a_100000210545_100000010305 [1,1,0,0,0,0|1,0,1]=4 3646 B14R1.159 CC(C)CCNCc1ccccc1I 269862a_100015347259_100000185833 [1,1,0,0,0,0|1,0,1]=4 3647 B14R1.159 CC(C)CCNCc1ccccc1I 270004a_100000210545_100000010305 [1,1,0,0,0,0|1,0,1]=4 3648 B14R1.159 CC(C)CCNCc1ccccc1O 269862a_100000185550_100000185833 [1,1,0,0,0,0|1,0,1]=4 3649 B14R1.159 CC(C)CCNCc1ccccc1O 34a_100000185550_100000210312 [1,1,0,0,0,0|1,0,1]=4 3650 B14R1.159 CC(C)CCOCc1ccccc1Br 34a_100000210254_100000184730 [1,1,0,0,0,0|0,0,1]=3 3651 B14R1.159 CC(C)CCOCc1ccccc1Br 34a_100000756307_100000210312 [1,1,0,0,0,0|0,0,1]=3 3652 B14R1.159 CC(C)CCOCc1ccccc1Br 7a_100000210254_100000184730 [1,1,0,0,0,0|0,0,1]=3 3653 B14R1.159 CC(C)CCOCc1ccccc1Br 7a_100000756307_100000210626 [1,1,0,0,0,0|0,0,1]=3 3654 B14R1.159 CC(C)CCOCc1ccccc1Cl 34a_100000210254_100000187162 [1,1,0,0,0,0|0,0,1]=3 3655 B14R1.159 CC(C)CCOCc1ccccc1Cl 34a_100000210847_100000210312 [1,1,0,0,0,0|0,0,1]=3 3656 B14R1.159 CC(C)CCOCc1ccccc1Cl 7a_100000210254_100000187162 [1,1,0,0,0,0|0,0,1]=3 3657 B14R1.159 CC(C)CCOCc1ccccc1Cl 7a_100000210847_100000210626 [1,1,0,0,0,0|0,0,1]=3 3658 B14R1.159 CC(C)CCOCc1ccccc1F 34a_100000210254_100000211605 [1,1,0,0,0,0|0,0,1]=3 3659 B14R1.159 CC(C)CCOCc1ccccc1F 34a_100000211962_100000210312 [1,1,0,0,0,0|0,0,1]=3 3660 B14R1.159 CC(C)CCOCc1ccccc1F 7a_100000210254_100000211605 [1,1,0,0,0,0|0,0,1]=3 3661 B14R1.159 CC(C)CCOCc1ccccc1F 7a_100000211962_100000210626 [1,1,0,0,0,0|0,0,1]=3 3662 B14R1.159 CC(C)CCOCc1ccccc1I 34a_100000187465_100000210312 [1,1,0,0,0,0|0,0,1]=3 3663 B14R1.159 CC(C)CCOCc1ccccc1I 34a_100000210254_100011215278 [1,1,0,0,0,0|0,0,1]=3 3664 B14R1.159 CC(C)CCOCc1ccccc1I 7a_100000187465_100000210626 [1,1,0,0,0,0|0,0,1]=3 3665 B14R1.159 CC(C)CCOCc1ccccc1I 7a_100000210254_100011215278 [1,1,0,0,0,0|0,0,1]=3 3666 B14R1.159 CC(C)CCOCc1ccccc1N 34a_100000212039_100000210312 [1,1,0,0,0,0|0,0,1]=3 3667 B14R1.159 CC(C)CCOCc1cccnc1Br 34a_100000210254_100010140945 [1,1,0,0,0,0|1,0,1]=4 3668 B14R1.159 CC(C)CCOCc1cccnc1Br 34a_100000719692_100000210312 [1,1,0,0,0,0|1,0,1]=4 3669 B14R1.159 CC(C)CCOCc1cccnc1Br 7a_100000210254_100010140945 [1,1,0,0,0,0|1,0,1]=4 3670 B14R1.159 CC(C)CCOCc1cccnc1Br 7a_100000719692_100000210626 [1,1,0,0,0,0|1,0,1]=4 3671 B14R1.159 CC(C)CCOCc1cccnc1Cl 34a_100000210254_100000045678 [1,1,0,0,0,0|1,0,1]=4 3672 B14R1.159 CC(C)CCOCc1cccnc1Cl 34a_100000748726_100000210312 [1,1,0,0,0,0|1,0,1]=4 3673 B14R1.159 CC(C)CCOCc1cccnc1Cl 7a_100000210254_100000045678 [1,1,0,0,0,0|1,0,1]=4 3674 B14R1.159 CC(C)CCOCc1cccnc1Cl 7a_100000748726_100000210626 [1,1,0,0,0,0|1,0,1]=4 3675 B14R1.159 CC(C)CCOCc1cccnc1F 34a_100000079888_100000210312 [1,1,0,0,0,0|1,0,1]=4 3676 B14R1.159 CC(C)CCOCc1cccnc1F 34a_100000210254_100000099810 [1,1,0,0,0,0|1,0,1]=4 3677 B14R1.159 CC(C)CCOCc1cccnc1F 7a_100000079888_100000210626 [1,1,0,0,0,0|1,0,1]=4 3678 B14R1.159 CC(C)CCOCc1cccnc1F 7a_100000210254_100000099810 [1,1,0,0,0,0|1,0,1]=4 3679 B14R1.159 CC(C)CCOCc1ccncc1Cl 7a_100000210254_100000763264 [1,1,0,0,0,0|1,0,1]=4 3680 B14R1.159 CC(C)CCOCc1ccncc1F 34a_100012172863_100000210312 [1,1,0,0,0,0|1,0,1]=4 3681 B14R1.159 CC(C)CCOCc1cnccc1Cl 34a_100000117392_100000210312 [1,1,0,0,0,0|1,0,1]=4 3682 B14R1.159 CC(C)CCOCc1ncccc1Br 34a_100000210254_100025702911 [1,1,0,0,0,0|1,0,1]=4 3683 B14R1.159 CC(C)CCOCc1ncccc1Br 34a_100011996772_100000210312 [1,1,0,0,0,0|1,0,1]=4 3684 B14R1.159 CC(C)CCOCc1ncccc1Br 7a_100000210254_100025702911 [1,1,0,0,0,0|1,0,1]=4 3685 B14R1.159 CC(C)CCOCc1ncccc1Cl 34a_100012002383_100000210312 [1,1,0,0,0,0|1,0,1]=4 3686 B14R1.159 CC(C)CCOCc1ncccc1Cl 7a_100000210254_100000099807 [1,1,0,0,0,0|1,0,1]=4 3687 B14R1.159 CC(C)CCOCc1ncccc1F 34a_100000210254_100000104219 [1,1,0,0,0,0|1,0,1]=4 3688 B14R1.159 CC(C)CCOCc1ncccc1F 34a_100011934865_100000210312 [1,1,0,0,0,0|1,0,1]=4 3689 B14R1.159 CC(C)CCOCc1ncccc1F 7a_100000210254_100000104219 [1,1,0,0,0,0|1,0,1]=4 3690 B14R1.159 CC(C)CCOCc1ncccc1N 34a_114873767017_100000210312 [1,1,0,0,0,0|1,0,1]=4 3691 B14R1.159 CC(C)CCOCc1ncccc1O 34a_100000210254_200020655725 [1,1,0,0,0,0|1,0,1]=4 3692 B14R1.159 CC(C)CCOCc1ncccc1O 7a_100000210254_200020655725 [1,1,0,0,0,0|1,0,1]=4 3693 B14R1.159 CC(C)CCSCc1ccccc1Br 62a_100000184730_100000210312 [1,1,0,0,0,0|0,1,1]=4 3694 B14R1.159 CC(C)CCSCc1ccccc1Br 62a_100000210312_100000184730 [1,1,0,0,0,0|0,1,1]=4 3695 B14R1.159 CC(C)CCSCc1ccccc1Cl 62a_100000187162_100000210312 [1,1,0,0,0,0|0,1,1]=4 3696 B14R1.159 CC(C)CCSCc1ccccc1Cl 62a_100000210312_100000187162 [1,1,0,0,0,0|0,1,1]=4 3697 B14R1.159 CC(C)CCSCc1ccccc1F 62a_100000210312_100000211605 [1,1,0,0,0,0|0,1,1]=4 3698 B14R1.159 CC(C)CCSCc1ccccc1F 62a_100000211605_100000210312 [1,1,0,0,0,0|0,1,1]=4 3699 B14R1.159 CC(C)CCSCc1ccccc1I 62a_100000210312_100011216222 [1,1,0,0,0,0|0,1,1]=4 3700 B14R1.159 CC(C)CCSCc1ccccc1I 62a_100011216222_100000210312 [1,1,0,0,0,0|0,1,1]=4 3701 B14R1.159 CC(C)OCOCc1ccccc1Br 34a_100000756307_100000709892 [1,1,0,0,0,0|1,0,1]=4 3702 B14R1.159 CC(C)OCOCc1ccccc1Cl 34a_100000210847_100000709892 [1,1,0,0,0,0|1,0,1]=4 3703 B14R1.159 CC(C)OCOCc1ccccc1F 34a_100000211962_100000709892 [1,1,0,0,0,0|1,0,1]=4 3704 B14R1.159 CC(C)OCOCc1ccccc1I 34a_100000187465_100000709892 [1,1,0,0,0,0|1,0,1]=4 3705 B14R1.159 CC(C)OCOCc1ccccc1N 34a_100000212039_100000709892 [1,1,0,0,0,0|1,0,1]=4 3706 B14R1.159 CC(O)CCOCc1ccccc1Br 34a_100000756307_100012276601 [1,1,0,0,0,0|1,0,1]=4 3707 B14R1.159 CC(O)CCOCc1ccccc1Br 7a_100000756307_100012276601 [1,1,0,0,0,0|1,0,1]=4 3708 B14R1.159 CC(O)CCOCc1ccccc1Cl 34a_100000210847_100012276601 [1,1,0,0,0,0|1,0,1]=4 3709 B14R1.159 CC(O)CCOCc1ccccc1Cl 7a_100000210847_100012276601 [1,1,0,0,0,0|1,0,1]=4 3710 B14R1.159 CC(O)CCOCc1ccccc1F 34a_100000211962_100012276601 [1,1,0,0,0,0|1,0,1]=4 3711 B14R1.159 CC(O)CCOCc1ccccc1F 7a_100000211962_100012276601 [1,1,0,0,0,0|1,0,1]=4 3712 B14R1.159 CC(O)CCOCc1ccccc1I 34a_100000187465_100012276601 [1,1,0,0,0,0|1,0,1]=4 3713 B14R1.159 CC(O)CCOCc1ccccc1I 7a_100000187465_100012276601 [1,1,0,0,0,0|1,0,1]=4 3714 B14R1.159 CC(O)CCOCc1ccccc1N 34a_100000212039_100012276601 [1,1,0,0,0,0|1,0,1]=4 3715 B14R1.159 CN(C)CCOCc1ccccc1Br 7a_100000756307_100000755713 [1,1,0,0,0,0|1,0,1]=4 3716 B14R1.159 CN(C)CCOCc1ccccc1Cl 7a_100000210847_100000755713 [1,1,0,0,0,0|1,0,1]=4 3717 B14R1.159 CN(C)CCOCc1ccccc1F 7a_100000211962_100000755713 [1,1,0,0,0,0|1,0,1]=4 3718 B14R1.159 CN(C)CCOCc1ccccc1I 7a_100000187465_100000755713 [1,1,0,0,0,0|1,0,1]=4 3719 B14R1.159 C[C@@H](N)CCOCc1ccccc1Br 34a_100000706166_100000184730 [1,1,0,0,0,0|1,0,1]=4 3720 B14R1.159 C[C@@H](N)CCOCc1ccccc1Cl 34a_100000706166_100000187162 [1,1,0,0,0,0|1,0,1]=4 3721 B14R1.159 C[C@@H](N)CCOCc1ccccc1F 34a_100000706166_100000211605 [1,1,0,0,0,0|1,0,1]=4 3722 B14R1.159 C[C@@H](N)CCOCc1ccccc1I 34a_100000706166_100011215278 [1,1,0,0,0,0|1,0,1]=4 3723 B14R1.159 Cc1ccccc1CNCCC(C)C 207a_100000210545_100000211143 [1,1,0,0,0,0|1,0,1]=4 3724 B14R1.159 Cc1ccccc1CNCCC(C)C 269862a_100000174972_100000185833 [1,1,0,0,0,0|1,0,1]=4 3725 B14R1.159 Cc1ccccc1CNCCC(C)C 270004a_100000210545_100000211143 [1,1,0,0,0,0|1,0,1]=4 3726 B14R1.159 Cc1ccccc1CNCCC(C)C 34a_100000174972_100000210312 [1,1,0,0,0,0|1,0,1]=4 3727 B14R1.159 Cc1ccccc1COCCC(C)Br 34a_100009893172_100000211839 [1,1,0,0,0,0|1,0,1]=4 3728 B14R1.159 Cc1ccccc1COCCC(C)C 34a_100000210254_100000211839 [1,1,0,0,0,0|0,0,1]=3 3729 B14R1.159 Cc1ccccc1COCCC(C)C 34a_100000698903_100000210312 [1,1,0,0,0,0|0,0,1]=3 3730 B14R1.159 Cc1ccccc1COCCC(C)C 7a_100000210254_100000211839 [1,1,0,0,0,0|0,0,1]=3 3731 B14R1.159 Cc1ccccc1COCCC(C)C 7a_100000698903_100000210626 [1,1,0,0,0,0|0,0,1]=3 3732 B14R1.159 Cc1ccccc1COCCC(C)O 34a_100000698903_100012276601 [1,1,0,0,0,0|1,0,1]=4 3733 B14R1.159 Cc1ccccc1COCCC(C)O 7a_100000698903_100012276601 [1,1,0,0,0,0|1,0,1]=4 3734 B14R1.159 Cc1ccccc1COCCN(C)C 7a_100000698903_100000755713 [1,1,0,0,0,0|1,0,1]=4 3735 B14R1.159 Cc1ccccc1COCC[C@@H](C)N 34a_100000706166_100000211839 [1,1,0,0,0,0|1,0,1]=4 3736 B14R1.159 Cc1ccccc1COCOC(C)C 34a_100000698903_100000709892 [1,1,0,0,0,0|1,0,1]=4 3737 B14R1.159 Cc1ccccc1CSCCC(C)C 62a_100000210312_100000211839 [1,1,0,0,0,0|0,1,1]=4 3738 B14R1.159 Cc1ccccc1CSCCC(C)C 62a_100000211839_100000210312 [1,1,0,0,0,0|0,1,1]=4 3739 B14R1.159 Cc1ccccc1NCCCC(C)C 34a_100015192222_100011214892 [1,1,0,0,0,0|2,0,0]=4 3740 B14R1.159 Cc1ccccc1OCCCC(C)C 34a_100000210338_100011214892 [1,1,0,0,0,0|2,0,0]=4 3741 B14R1.159 Cc1ccccc1OCCCC(C)C 7a_100000210338_100011214892 [1,1,0,0,0,0|2,0,0]=4 3742 B14R1.159 Cc1ccccc1SCCCC(C)C 62a_100000210755_100011214892 [1,1,0,0,0,0|2,0,0]=4 3743 B14R1.159 Cc1ccccc1SCCCC(C)C 62a_100011214892_100000210755 [1,1,0,0,0,0|2,0,0]=4 3744 B14R1.159 Cc1cccnc1COCCC(C)C 34a_100000210254_100000696600 [1,1,0,0,0,0|1,0,1]=4 3745 B14R1.159 Cc1cccnc1COCCC(C)C 34a_100000698912_100000210312 [1,1,0,0,0,0|1,0,1]=4 3746 B14R1.159 Cc1cccnc1COCCC(C)C 7a_100000210254_100000696600 [1,1,0,0,0,0|1,0,1]=4 3747 B14R1.159 Cc1ccncc1COCCC(C)C 34a_100000210254_100000690890 [1,1,0,0,0,0|1,0,1]=4 3748 B14R1.159 Cc1ccncc1COCCC(C)C 34a_100011996381_100000210312 [1,1,0,0,0,0|1,0,1]=4 3749 B14R1.159 Cc1ccncc1COCCC(C)C 7a_100000210254_100000690890 [1,1,0,0,0,0|1,0,1]=4 3750 B14R1.159 Cc1cnccc1COCCC(C)C 34a_100000210254_100020672809 [1,1,0,0,0,0|1,0,1]=4 3751 B14R1.159 Cc1cnccc1COCCC(C)C 34a_100011997032_100000210312 [1,1,0,0,0,0|1,0,1]=4 3752 B14R1.159 Cc1cnccc1COCCC(C)C 7a_100000210254_100020672808 [1,1,0,0,0,0|1,0,1]=4 3753 B14R1.159 Cc1ncccc1COCCC(C)C 34a_100000210254_100000732876 [1,1,0,0,0,0|1,0,1]=4 3754 B14R1.159 Cc1ncccc1COCCC(C)C 34a_100000729262_100000210312 [1,1,0,0,0,0|1,0,1]=4 3755 B14R1.159 Cc1ncccc1COCCC(C)C 7a_100000210254_100000732876 [1,1,0,0,0,0|1,0,1]=4 3756 B14R1.159 Cc1ncccc1COCCC(C)C 7a_100000729262_100000210626 [1,1,0,0,0,0|1,0,1]=4 3757 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 34a_200025717232_100000210206 [1,1,0,0,0,0|2,0,0]=4 3758 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 7a_200025717232_100000210206 [1,1,0,0,0,0|2,0,0]=4 3759 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [1,1,0,0,0,0|1,0,1]=4 3760 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000181311 [1,1,0,0,0,0|2,0,0]=4 3761 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000181311 [1,1,0,0,0,0|2,0,0]=4 3762 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000181311 [1,1,0,0,0,0|2,0,0]=4 3763 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000181311 [1,1,0,0,0,0|2,0,0]=4 3764 B14R1.423 CC(C)CCC(C)Nc1ccccc1 34a_100000106764_100011261404 [1,1,0,0,0,0|2,0,0]=4 3765 B14R1.423 CC(C)CCC(C)Oc1ccccc1 34a_100000210340_100011261404 [1,1,0,0,0,0|2,0,0]=4 3766 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100000719477_100011261404 [1,1,0,0,0,0|2,0,0]=4 3767 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100011261404_100000041952 [1,1,0,0,0,0|2,0,0]=4 3768 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000186898_100000210312 [1,1,0,0,0,0|1,0,1]=4 3769 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000742789_100015291786 [1,1,0,0,0,0|1,0,1]=4 3770 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000186898_100000210312 [1,1,0,0,0,0|1,0,1]=4 3771 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000742789_100000211182 [1,1,0,0,0,0|1,0,1]=4 3772 B14R1.423 CC(C)CCN(C)Cc1ccccc1 270004a_100000742789_100015611070 [1,1,0,0,0,0|1,0,1]=4 3773 B14R1.677 CC(Br)CCOCc1ccc(cc1)Br 34a_100009893172_100000189115 [1,1,0,0,0,0|1,0,1]=4 3774 B14R1.677 CC(Br)CCOCc1ccc(cc1)Cl 34a_100009893172_100000694040 [1,1,0,0,0,0|1,0,1]=4 3775 B14R1.677 CC(Br)CCOCc1ccc(cc1)F 34a_100009893172_100000198546 [1,1,0,0,0,0|1,0,1]=4 3776 B14R1.677 CC(Br)CCOCc1ccc(cc1)I 34a_100009893172_100000189116 [1,1,0,0,0,0|1,0,1]=4 3777 B14R1.677 CC(C)CCCNc1ccc(cc1)Br 2230a_100000210018_100011214892 [1,1,0,0,0,0|2,0,0]=4 3778 B14R1.677 CC(C)CCCNc1ccc(cc1)Br 34a_100000210018_100011214892 [1,1,0,0,0,0|2,0,0]=4 3779 B14R1.677 CC(C)CCCNc1ccc(cc1)Cl 2230a_100000210052_100011214892 [1,1,0,0,0,0|2,0,0]=4 3780 B14R1.677 CC(C)CCCNc1ccc(cc1)Cl 34a_100000210052_100011214892 [1,1,0,0,0,0|2,0,0]=4 3781 B14R1.677 CC(C)CCCNc1ccc(cc1)F 34a_100000185862_100011214892 [1,1,0,0,0,0|2,0,0]=4 3782 B14R1.677 CC(C)CCCNc1ccc(cc1)I 34a_100000185761_100011214892 [1,1,0,0,0,0|2,0,0]=4 3783 B14R1.677 CC(C)CCCNc1ccc(cc1)O 34a_100000185829_100011214892 [1,1,0,0,0,0|2,0,0]=4 3784 B14R1.677 CC(C)CCCOc1ccc(cc1)Br 34a_100000185759_100011214892 [1,1,0,0,0,0|2,0,0]=4 3785 B14R1.677 CC(C)CCCOc1ccc(cc1)Br 7a_100000185759_100011214892 [1,1,0,0,0,0|2,0,0]=4 3786 B14R1.677 CC(C)CCCOc1ccc(cc1)Cl 34a_100000210216_100011214892 [1,1,0,0,0,0|2,0,0]=4 3787 B14R1.677 CC(C)CCCOc1ccc(cc1)Cl 7a_100000210216_100011214892 [1,1,0,0,0,0|2,0,0]=4 3788 B14R1.677 CC(C)CCCOc1ccc(cc1)F 34a_100000210339_100011214892 [1,1,0,0,0,0|2,0,0]=4 3789 B14R1.677 CC(C)CCCOc1ccc(cc1)I 34a_100000212066_100011214892 [1,1,0,0,0,0|2,0,0]=4 3790 B14R1.677 CC(C)CCCOc1ccc(cc1)I 7a_100000212066_100011214892 [1,1,0,0,0,0|2,0,0]=4 3791 B14R1.677 CC(C)CCCOc1ccc(cc1)N 34a_100000185829_100011214892 [1,1,0,0,0,0|2,0,0]=4 3792 B14R1.677 CC(C)CCCSc1ccc(cc1)Br 62a_100000752885_100011214892 [1,1,0,0,0,0|2,0,0]=4 3793 B14R1.677 CC(C)CCCSc1ccc(cc1)Br 62a_100011214892_100000752885 [1,1,0,0,0,0|2,0,0]=4 3794 B14R1.677 CC(C)CCCSc1ccc(cc1)Cl 62a_100000755918_100011214892 [1,1,0,0,0,0|2,0,0]=4 3795 B14R1.677 CC(C)CCCSc1ccc(cc1)Cl 62a_100011214892_100000755918 [1,1,0,0,0,0|2,0,0]=4 3796 B14R1.677 CC(C)CCCSc1ccc(cc1)F 62a_100000211213_100011214892 [1,1,0,0,0,0|2,0,0]=4 3797 B14R1.677 CC(C)CCCSc1ccc(cc1)F 62a_100011214892_100000211213 [1,1,0,0,0,0|2,0,0]=4 3798 B14R1.677 CC(C)CCCSc1ccc(cc1)N 62a_100000185761_100011214892 [1,1,0,0,0,0|2,0,0]=4 3799 B14R1.677 CC(C)CCCSc1ccc(cc1)N 62a_100011214892_100000185761 [1,1,0,0,0,0|2,0,0]=4 3800 B14R1.677 CC(C)CCCSc1ccc(cc1)O 62a_100011214892_100000185759 [1,1,0,0,0,0|2,0,0]=4 3801 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 207a_100000210545_100000186029 [1,1,0,0,0,0|1,0,1]=4 3802 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 2230a_100000174875_100000210312 [1,1,0,0,0,0|1,0,1]=4 3803 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 269862a_100000174875_100000185833 [1,1,0,0,0,0|1,0,1]=4 3804 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 26a_100000210545_100000185759 [1,1,0,0,0,0|1,0,1]=4 3805 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 270004a_100000210545_100000186029 [1,1,0,0,0,0|1,0,1]=4 3806 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 34a_100000174875_100000210312 [1,1,0,0,0,0|1,0,1]=4 3807 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 207a_100000210545_100000189385 [1,1,0,0,0,0|1,0,1]=4 3808 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210312 [1,1,0,0,0,0|1,0,1]=4 3809 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 269862a_100000174871_100000185833 [1,1,0,0,0,0|1,0,1]=4 3810 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 270004a_100000210545_100000189385 [1,1,0,0,0,0|1,0,1]=4 3811 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 34a_100000174871_100000210312 [1,1,0,0,0,0|1,0,1]=4 3812 B14R1.677 CC(C)CCNCc1ccc(cc1)F 207a_100000210545_100000210084 [1,1,0,0,0,0|1,0,1]=4 3813 B14R1.677 CC(C)CCNCc1ccc(cc1)F 2230a_100000174882_100000210312 [1,1,0,0,0,0|1,0,1]=4 3814 B14R1.677 CC(C)CCNCc1ccc(cc1)F 269862a_100000174882_100000185833 [1,1,0,0,0,0|1,0,1]=4 3815 B14R1.677 CC(C)CCNCc1ccc(cc1)F 270004a_100000210545_100000210084 [1,1,0,0,0,0|1,0,1]=4 3816 B14R1.677 CC(C)CCNCc1ccc(cc1)F 34a_100000174882_100000210312 [1,1,0,0,0,0|1,0,1]=4 3817 B14R1.677 CC(C)CCNCc1ccc(cc1)I 207a_100000210545_100000188517 [1,1,0,0,0,0|1,0,1]=4 3818 B14R1.677 CC(C)CCNCc1ccc(cc1)I 2230a_100016989417_100000210312 [1,1,0,0,0,0|1,0,1]=4 3819 B14R1.677 CC(C)CCNCc1ccc(cc1)I 269862a_100016989417_100000185833 [1,1,0,0,0,0|1,0,1]=4 3820 B14R1.677 CC(C)CCNCc1ccc(cc1)I 34a_100016989417_100000210312 [1,1,0,0,0,0|1,0,1]=4 3821 B14R1.677 CC(C)CCNCc1ccc(cc1)O 34a_100000185549_100000210312 [1,1,0,0,0,0|1,0,1]=4 3822 B14R1.677 CC(C)CCOCc1cc[n+](cc1)C 34a_100009831711_100000210312 [1,1,0,0,0,0|1,0,1]=4 3823 B14R1.677 CC(C)CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210312 [1,1,0,0,0,0|1,0,1]=4 3824 B14R1.677 CC(C)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210626 [1,1,0,0,0,0|1,0,1]=4 3825 B14R1.677 CC(C)CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210312 [1,1,0,0,0,0|1,0,1]=4 3826 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 34a_100000210254_100000189115 [1,1,0,0,0,0|0,0,1]=3 3827 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 34a_100000695286_100000210312 [1,1,0,0,0,0|0,0,1]=3 3828 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 7a_100000210254_100011217064 [1,1,0,0,0,0|0,0,1]=3 3829 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 34a_100000210254_100000694040 [1,1,0,0,0,0|0,0,1]=3 3830 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 34a_100000211118_100000210312 [1,1,0,0,0,0|0,0,1]=3 3831 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 7a_100000210254_100000187161 [1,1,0,0,0,0|0,0,1]=3 3832 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 7a_100000211118_100000210626 [1,1,0,0,0,0|0,0,1]=3 3833 B14R1.677 CC(C)CCOCc1ccc(cc1)F 34a_100000210254_100000198546 [1,1,0,0,0,0|0,0,1]=3 3834 B14R1.677 CC(C)CCOCc1ccc(cc1)F 34a_100000210977_100000210312 [1,1,0,0,0,0|0,0,1]=3 3835 B14R1.677 CC(C)CCOCc1ccc(cc1)F 7a_100000210254_100000198546 [1,1,0,0,0,0|0,0,1]=3 3836 B14R1.677 CC(C)CCOCc1ccc(cc1)F 7a_100000210977_100000210626 [1,1,0,0,0,0|0,0,1]=3 3837 B14R1.677 CC(C)CCOCc1ccc(cc1)I 34a_100000210254_100000189116 [1,1,0,0,0,0|0,0,1]=3 3838 B14R1.677 CC(C)CCOCc1ccc(cc1)I 34a_100000690907_100000210312 [1,1,0,0,0,0|0,0,1]=3 3839 B14R1.677 CC(C)CCOCc1ccc(cc1)I 7a_100000210254_100000189116 [1,1,0,0,0,0|0,0,1]=3 3840 B14R1.677 CC(C)CCOCc1ccc(cc1)I 7a_100000690907_100000210626 [1,1,0,0,0,0|0,0,1]=3 3841 B14R1.677 CC(C)CCOCc1ccc(cc1)N 34a_100011215238_100000210312 [1,1,0,0,0,0|0,0,1]=3 3842 B14R1.677 CC(C)CCOCc1ccc(cn1)Br 34a_100000210254_100000702658 [1,1,0,0,0,0|1,0,1]=4 3843 B14R1.677 CC(C)CCOCc1ccc(cn1)Br 34a_100000754261_100000210312 [1,1,0,0,0,0|1,0,1]=4 3844 B14R1.677 CC(C)CCOCc1ccc(cn1)Br 7a_100000210254_100000702658 [1,1,0,0,0,0|1,0,1]=4 3845 B14R1.677 CC(C)CCOCc1ccc(cn1)Cl 34a_100000210254_100012066911 [1,1,0,0,0,0|1,0,1]=4 3846 B14R1.677 CC(C)CCOCc1ccc(cn1)Cl 34a_100000703999_100000210312 [1,1,0,0,0,0|1,0,1]=4 3847 B14R1.677 CC(C)CCOCc1ccc(cn1)Cl 7a_100000210254_100012066911 [1,1,0,0,0,0|1,0,1]=4 3848 B14R1.677 CC(C)CCOCc1ccc(cn1)F 34a_100000210254_100000703193 [1,1,0,0,0,0|1,0,1]=4 3849 B14R1.677 CC(C)CCOCc1ccc(cn1)F 34a_100011999454_100000210312 [1,1,0,0,0,0|1,0,1]=4 3850 B14R1.677 CC(C)CCOCc1ccc(cn1)F 7a_100000210254_100000703193 [1,1,0,0,0,0|1,0,1]=4 3851 B14R1.677 CC(C)CCOCc1ccc(cn1)N 34a_100011998161_100000210312 [1,1,0,0,0,0|1,0,1]=4 3852 B14R1.677 CC(C)CCOCc1ccc(nc1)Br 34a_100000210254_100009831999 [1,1,0,0,0,0|1,0,1]=4 3853 B14R1.677 CC(C)CCOCc1ccc(nc1)Br 34a_100009816760_100000210312 [1,1,0,0,0,0|1,0,1]=4 3854 B14R1.677 CC(C)CCOCc1ccc(nc1)Br 7a_100000210254_100009831999 [1,1,0,0,0,0|1,0,1]=4 3855 B14R1.677 CC(C)CCOCc1ccc(nc1)Br 7a_100009816760_100000210626 [1,1,0,0,0,0|1,0,1]=4 3856 B14R1.677 CC(C)CCOCc1ccc(nc1)Cl 34a_100000210254_100000735431 [1,1,0,0,0,0|1,0,1]=4 3857 B14R1.677 CC(C)CCOCc1ccc(nc1)Cl 34a_100000755211_100000210312 [1,1,0,0,0,0|1,0,1]=4 3858 B14R1.677 CC(C)CCOCc1ccc(nc1)Cl 7a_100000210254_100000735431 [1,1,0,0,0,0|1,0,1]=4 3859 B14R1.677 CC(C)CCOCc1ccc(nc1)Cl 7a_100000755211_100000210626 [1,1,0,0,0,0|1,0,1]=4 3860 B14R1.677 CC(C)CCOCc1ccc(nc1)F 34a_100000079959_100000210312 [1,1,0,0,0,0|1,0,1]=4 3861 B14R1.677 CC(C)CCOCc1ccc(nc1)F 34a_100000210254_100000099788 [1,1,0,0,0,0|1,0,1]=4 3862 B14R1.677 CC(C)CCOCc1ccc(nc1)F 7a_100000210254_100009820150 [1,1,0,0,0,0|1,0,1]=4 3863 B14R1.677 CC(C)CCOCc1ccc(nc1)N 34a_100000704267_100000210312 [1,1,0,0,0,0|1,0,1]=4 3864 B14R1.677 CC(C)CCSCc1ccc(cc1)Br 62a_100000189115_100000210312 [1,1,0,0,0,0|0,1,1]=4 3865 B14R1.677 CC(C)CCSCc1ccc(cc1)Br 62a_100000210312_100000189115 [1,1,0,0,0,0|0,1,1]=4 3866 B14R1.677 CC(C)CCSCc1ccc(cc1)Cl 62a_100000187161_100000210312 [1,1,0,0,0,0|0,1,1]=4 3867 B14R1.677 CC(C)CCSCc1ccc(cc1)Cl 62a_100000210312_100000187161 [1,1,0,0,0,0|0,1,1]=4 3868 B14R1.677 CC(C)CCSCc1ccc(cc1)F 62a_100000198546_100000210312 [1,1,0,0,0,0|0,1,1]=4 3869 B14R1.677 CC(C)CCSCc1ccc(cc1)F 62a_100000210312_100000187164 [1,1,0,0,0,0|0,1,1]=4 3870 B14R1.677 CC(C)CCSCc1ccc(cc1)I 62a_100000189116_100000210312 [1,1,0,0,0,0|0,1,1]=4 3871 B14R1.677 CC(C)CCSCc1ccc(cc1)I 62a_100000210312_100000189116 [1,1,0,0,0,0|0,1,1]=4 3872 B14R1.677 CC(C)OCOCc1ccc(cc1)Br 34a_100000695286_100000709892 [1,1,0,0,0,0|1,0,1]=4 3873 B14R1.677 CC(C)OCOCc1ccc(cc1)Cl 34a_100000211118_100000709892 [1,1,0,0,0,0|1,0,1]=4 3874 B14R1.677 CC(C)OCOCc1ccc(cc1)F 34a_100000210977_100000709892 [1,1,0,0,0,0|1,0,1]=4 3875 B14R1.677 CC(C)OCOCc1ccc(cc1)I 34a_100000690907_100000709892 [1,1,0,0,0,0|1,0,1]=4 3876 B14R1.677 CC(C)OCOCc1ccc(cc1)N 34a_100011215238_100000709892 [1,1,0,0,0,0|1,0,1]=4 3877 B14R1.677 CC(O)CCOCc1ccc(cc1)Br 34a_100000695286_100012276601 [1,1,0,0,0,0|1,0,1]=4 3878 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 34a_100000211118_100012276601 [1,1,0,0,0,0|1,0,1]=4 3879 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 7a_100000211118_100012276601 [1,1,0,0,0,0|1,0,1]=4 3880 B14R1.677 CC(O)CCOCc1ccc(cc1)F 34a_100000210977_100012276601 [1,1,0,0,0,0|1,0,1]=4 3881 B14R1.677 CC(O)CCOCc1ccc(cc1)F 7a_100000210977_100012276601 [1,1,0,0,0,0|1,0,1]=4 3882 B14R1.677 CC(O)CCOCc1ccc(cc1)I 34a_100000690907_100012276601 [1,1,0,0,0,0|1,0,1]=4 3883 B14R1.677 CC(O)CCOCc1ccc(cc1)I 7a_100000690907_100012276601 [1,1,0,0,0,0|1,0,1]=4 3884 B14R1.677 CC(O)CCOCc1ccc(cc1)N 34a_100011215238_100012276601 [1,1,0,0,0,0|1,0,1]=4 3885 B14R1.677 CN(C)CCOCc1ccc(cc1)Cl 7a_100000211118_100000755713 [1,1,0,0,0,0|1,0,1]=4 3886 B14R1.677 CN(C)CCOCc1ccc(cc1)F 7a_100000210977_100000755713 [1,1,0,0,0,0|1,0,1]=4 3887 B14R1.677 CN(C)CCOCc1ccc(cc1)I 7a_100000690907_100000755713 [1,1,0,0,0,0|1,0,1]=4 3888 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)Br 34a_100000706166_100000189115 [1,1,0,0,0,0|1,0,1]=4 3889 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)Cl 34a_100000706166_100000694040 [1,1,0,0,0,0|1,0,1]=4 3890 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)F 34a_100000706166_100000198546 [1,1,0,0,0,0|1,0,1]=4 3891 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)I 34a_100000706166_100000189116 [1,1,0,0,0,0|1,0,1]=4 3892 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 207a_100000210545_100000211033 [1,1,0,0,0,0|1,0,1]=4 3893 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 2230a_100000174908_100000210312 [1,1,0,0,0,0|1,0,1]=4 3894 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 269862a_100000174908_100000185833 [1,1,0,0,0,0|1,0,1]=4 3895 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 26a_100000210545_200020625495 [1,1,0,0,0,0|1,0,1]=4 3896 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 270004a_100000210545_100000211033 [1,1,0,0,0,0|1,0,1]=4 3897 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 34a_100000174908_100000210312 [1,1,0,0,0,0|1,0,1]=4 3898 B14R1.677 Cc1ccc(cc1)COCCC(C)Br 34a_100009893172_100000210814 [1,1,0,0,0,0|1,0,1]=4 3899 B14R1.677 Cc1ccc(cc1)COCCC(C)C 34a_100000210254_100000210814 [1,1,0,0,0,0|0,0,1]=3 3900 B14R1.677 Cc1ccc(cc1)COCCC(C)C 34a_100011215236_100000210312 [1,1,0,0,0,0|0,0,1]=3 3901 B14R1.677 Cc1ccc(cc1)COCCC(C)C 7a_100000210254_100000210814 [1,1,0,0,0,0|0,0,1]=3 3902 B14R1.677 Cc1ccc(cc1)COCCC(C)C 7a_100011215236_100000210626 [1,1,0,0,0,0|0,0,1]=3 3903 B14R1.677 Cc1ccc(cc1)COCCC(C)O 34a_100011215236_100012276601 [1,1,0,0,0,0|1,0,1]=4 3904 B14R1.677 Cc1ccc(cc1)COCCC(C)O 7a_100011215236_100012276601 [1,1,0,0,0,0|1,0,1]=4 3905 B14R1.677 Cc1ccc(cc1)COCCN(C)C 7a_100011215236_100000755713 [1,1,0,0,0,0|1,0,1]=4 3906 B14R1.677 Cc1ccc(cc1)COCC[C@@H](C)N 34a_100000706166_100000210814 [1,1,0,0,0,0|1,0,1]=4 3907 B14R1.677 Cc1ccc(cc1)COCOC(C)C 34a_100011215236_100000709892 [1,1,0,0,0,0|1,0,1]=4 3908 B14R1.677 Cc1ccc(cc1)CSCCC(C)C 62a_100000210312_100000210814 [1,1,0,0,0,0|0,1,1]=4 3909 B14R1.677 Cc1ccc(cc1)CSCCC(C)C 62a_100000210814_100000210312 [1,1,0,0,0,0|0,1,1]=4 3910 B14R1.677 Cc1ccc(cc1)NCCCC(C)C 34a_100000124888_100011214892 [1,1,0,0,0,0|2,0,0]=4 3911 B14R1.677 Cc1ccc(cc1)OCCCC(C)C 34a_100000210336_100011214892 [1,1,0,0,0,0|2,0,0]=4 3912 B14R1.677 Cc1ccc(cc1)OCCCC(C)C 7a_100000210336_100011214892 [1,1,0,0,0,0|2,0,0]=4 3913 B14R1.677 Cc1ccc(cc1)SCCCC(C)C 62a_100000186775_100011214892 [1,1,0,0,0,0|2,0,0]=4 3914 B14R1.677 Cc1ccc(cc1)SCCCC(C)C 62a_100011214892_100000186775 [1,1,0,0,0,0|2,0,0]=4 3915 B14R1.677 Cc1ccc(cn1)COCCC(C)C 34a_100000210254_100016987292 [1,1,0,0,0,0|1,0,1]=4 3916 B14R1.677 Cc1ccc(cn1)COCCC(C)C 34a_100011248133_100000210312 [1,1,0,0,0,0|1,0,1]=4 3917 B14R1.677 Cc1ccc(cn1)COCCC(C)C 7a_100000210254_100016987292 [1,1,0,0,0,0|1,0,1]=4 3918 B14R1.677 Cc1ccc(nc1)COCCC(C)C 34a_100000210254_100000691093 [1,1,0,0,0,0|1,0,1]=4 3919 B14R1.677 Cc1ccc(nc1)COCCC(C)C 34a_100012001401_100000210312 [1,1,0,0,0,0|1,0,1]=4 3920 B14R1.677 Cc1ccc(nc1)COCCC(C)C 7a_100000210254_100000691093 [1,1,0,0,0,0|1,0,1]=4 3921 B14R1.716 CC(CF)OC/C=C/c1ccccc1 34a_100016041109_100016265936 [1,1,0,0,0,0|2,0,0]=4 3922 B14R1.716 CC(CF)OC/C=C/c1ccccc1 7a_100016041109_100016265936 [1,1,0,0,0,0|2,0,0]=4 3923 B14R1.716 CC(CF)OCOCc1ccccc1 34a_100016041109_100000763385 [1,1,0,0,0,0|1,0,1]=4 3924 B14R1.716 CC(CN)OC/C=C/c1ccccc1 34a_100000210904_100016265936 [1,1,0,0,0,0|2,0,0]=4 3925 B14R1.716 CC(CN)OCOCc1ccccc1 34a_100000210904_100000763385 [1,1,0,0,0,0|1,0,1]=4 3926 B14R1.716 CC(CO)CCNCc1ccccc1 207a_106354213184_100015611070 [1,1,0,0,0,0|1,0,1]=4 3927 B14R1.716 CC(CO)CCNCc1ccccc1 2230a_106354213184_100015291786 [1,1,0,0,0,0|1,0,1]=4 3928 B14R1.716 CC(CO)CCNCc1ccccc1 270004a_106354213184_100015611070 [1,1,0,0,0,0|1,0,1]=4 3929 B14R1.716 CC(CO)CCNCc1ccccc1 34a_106354213184_100015291786 [1,1,0,0,0,0|1,0,1]=4 3930 B14R1.716 CC(CO)NC/C=C/c1ccccc1 2230a_100020603302_100012180447 [1,1,0,0,0,0|2,0,0]=4 3931 B14R1.716 CC(CO)NC/C=C/c1ccccc1 34a_100020603302_100012180447 [1,1,0,0,0,0|2,0,0]=4 3932 B14R1.716 CC(CO)OC/C=C/c1ccccc1 34a_100000210256_100012180447 [1,1,0,0,0,0|2,0,0]=4 3933 B14R1.716 CC(CO)SC/C=C/c1ccccc1 62a_100012180447_100016265936 [1,1,0,0,0,0|2,0,0]=4 3934 B14R1.716 CC(CO)SCOCc1ccccc1 62a_100012180447_100000763385 [1,1,0,0,0,0|1,0,1]=4 3935 B14R1.716 CCC(C)CCNCc1ccccc1 207a_100020591266_100015611070 [1,1,0,0,0,0|1,0,1]=4 3936 B14R1.716 CCC(C)CCNCc1ccccc1 2230a_100020591266_100015291786 [1,1,0,0,0,0|1,0,1]=4 3937 B14R1.716 CCC(C)CCNCc1ccccc1 270004a_100020591266_100015611070 [1,1,0,0,0,0|1,0,1]=4 3938 B14R1.716 CCC(C)CCOCc1ccccc1 7a_100011215188_100000211182 [1,1,0,0,0,0|0,0,1]=3 3939 B14R1.716 CCC(C)CCOCc1ccccn1 7a_100011215188_100000721315 [1,1,0,0,0,0|1,0,1]=4 3940 B14R1.716 CCC(C)CCOCc1cccnc1 7a_100011215188_100000741622 [1,1,0,0,0,0|1,0,1]=4 3941 B14R1.716 CCC(C)CCOCc1ccncc1 7a_100011215188_100015193705 [1,1,0,0,0,0|1,0,1]=4 3942 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100000209981_100016265936 [1,1,0,0,0,0|2,0,0]=4 3943 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000758301 [1,1,0,0,0,0|2,0,0]=4 3944 B14R1.716 CCC(C)NC/C=C/c1ccccc1 34a_100020603302_100011215416 [1,1,0,0,0,0|2,0,0]=4 3945 B14R1.716 CCC(C)NCC=Cc1ccccc1 270004a_100000209981_100000210105 [1,1,0,0,0,0|2,0,0]=4 3946 B14R1.716 CCC(C)NCOCc1ccccc1 2230a_100000209981_100000763385 [1,1,0,0,0,0|1,0,1]=4 3947 B14R1.716 CCC(C)OC/C=C/c1ccccc1 34a_100000210256_100011215416 [1,1,0,0,0,0|2,0,0]=4 3948 B14R1.716 CCC(C)OC/C=C/c1ccccc1 7a_100000210228_100016265936 [1,1,0,0,0,0|2,0,0]=4 3949 B14R1.716 CCC(C)SC/C=C/c1ccccc1 62a_100000758301_100016265936 [1,1,0,0,0,0|2,0,0]=4 3950 B14R1.716 CCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000758301 [1,1,0,0,0,0|2,0,0]=4 3951 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000758301_100000763385 [1,1,0,0,0,0|1,0,1]=4 3952 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000763385_100000758301 [1,1,0,0,0,0|1,0,1]=4 3953 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000225621_100000234347 [1,1,0,0,0,0|1,0,1]=4 3954 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000687121_100000210202 [1,1,0,0,0,0|1,0,1]=4 3955 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000225621_100000234347 [1,1,0,0,0,0|1,0,1]=4 3956 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000687121_100000204670 [1,1,0,0,0,0|1,0,1]=4 3957 B14R1.716 CN(CF)CCOCc1ccccc1 269982a_100000687121_100015361967 [1,1,0,0,0,0|1,0,1]=4 3958 B14R1.716 CNC(C)CCCCc1ccccc1 270004a_106832991635_200011485782 [1,1,0,0,0,0|1,0,1]=4 3959 B14R1.716 CNC(C)CCOCc1ccccc1 270004a_106832991635_100011219826 [1,1,0,0,0,0|0,0,1]=3 3960 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [1,1,0,0,0,0|0,0,1]=3 3961 B14R1.716 COC(C)CCOCc1ccccn1 7a_100000764861_100000721315 [1,1,0,0,0,0|1,0,1]=4 3962 B14R1.716 COC(C)CCOCc1cccnc1 7a_100000764861_100000741622 [1,1,0,0,0,0|1,0,1]=4 3963 B14R1.716 COC(C)CCOCc1ccncc1 7a_100000764861_100015193705 [1,1,0,0,0,0|1,0,1]=4 3964 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100009879195_100016265936 [1,1,0,0,0,0|2,0,0]=4 3965 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100016265936_100009879195 [1,1,0,0,0,0|2,0,0]=4 3966 B14R1.716 COC(C)SCOCc1ccccc1 62a_100000763385_100009879195 [1,1,0,0,0,0|1,0,1]=4 3967 B14R1.716 COC(C)SCOCc1ccccc1 62a_100009879195_100000763385 [1,1,0,0,0,0|1,0,1]=4 3968 B14R1.716 C[C@H](CF)NCC=Cc1ccccc1 270004a_100102880703_100000210105 [1,1,0,0,0,0|2,0,0]=4 3969 B14R1.716 C[C@H](CO)NC/C=C/c1ccccc1 2230a_100000737577_100016265936 [1,1,0,0,0,0|2,0,0]=4 3970 B14R1.716 C[C@H](CO)NCC=Cc1ccccc1 270004a_100000737577_100000210105 [1,1,0,0,0,0|2,0,0]=4 3971 B14R1.716 C[C@H](CO)NCOCc1ccccc1 2230a_100000737577_100000763385 [1,1,0,0,0,0|1,0,1]=4 3972 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016084084_100016265936 [1,1,0,0,0,0|2,0,0]=4 3973 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016265936_100016084084 [1,1,0,0,0,0|2,0,0]=4 3974 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100000763385_100016084084 [1,1,0,0,0,0|1,0,1]=4 3975 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100016084084_100000763385 [1,1,0,0,0,0|1,0,1]=4 3976 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [1,1,0,0,0,0|1,0,1]=4 3977 B14R1.818 CC(C)CC(C)NCc1ccccc1 207a_100000692259_100015611070 [1,1,0,0,0,0|1,0,1]=4 3978 B14R1.818 CC(C)CC(C)NCc1ccccc1 2230a_100000692259_100015291786 [1,1,0,0,0,0|1,0,1]=4 3979 B14R1.818 CC(C)CC(C)NCc1ccccc1 2230a_100015324214_100000731052 [1,1,0,0,0,0|1,0,1]=4 3980 B14R1.818 CC(C)CC(C)NCc1ccccc1 270004a_100000692259_100015611070 [1,1,0,0,0,0|1,0,1]=4 3981 B14R1.818 CC(C)CC(C)NCc1ccccc1 34a_100015324214_100000731052 [1,1,0,0,0,0|1,0,1]=4 3982 B14R1.818 CC(C)CC(C)OCc1ccccc1 34a_100000210790_100000731052 [1,1,0,0,0,0|0,0,1]=3 3983 B14R1.818 CC(C)CC(C)OCc1ccccc1 34a_100000211805_100015291786 [1,1,0,0,0,0|0,0,1]=3 3984 B14R1.818 CC(C)CC(C)OCc1ccccc1 7a_100000210790_100000731052 [1,1,0,0,0,0|0,0,1]=3 3985 B14R1.818 CC(C)CC(C)OCc1ccccc1 7a_100000211805_100000211182 [1,1,0,0,0,0|0,0,1]=3 3986 B14R1.818 CC(C)CC(C)OCc1ccccn1 34a_100000211805_100000721315 [1,1,0,0,0,0|1,0,1]=4 3987 B14R1.818 CC(C)CC(C)OCc1ccccn1 7a_100000211805_100000721315 [1,1,0,0,0,0|1,0,1]=4 3988 B14R1.818 CC(C)CC(C)OCc1cccnc1 34a_100000211805_100000733263 [1,1,0,0,0,0|1,0,1]=4 3989 B14R1.818 CC(C)CC(C)OCc1cccnc1 7a_100000211805_100000741622 [1,1,0,0,0,0|1,0,1]=4 3990 B14R1.818 CC(C)CC(C)OCc1ccncc1 7a_100000211805_100015193705 [1,1,0,0,0,0|1,0,1]=4 3991 B14R1.818 CC(C)CC(C)SCc1ccccc1 62a_100000211182_100000731052 [1,1,0,0,0,0|0,1,1]=4 3992 B14R1.818 CC(C)CC(C)SCc1ccccc1 62a_100000731052_100015291786 [1,1,0,0,0,0|0,1,1]=4 3993 B14R1.3331 CC(C)(C)CCNCc1ccccc1 207a_100000738805_100015611070 [1,1,0,0,0,0|1,0,1]=4 3994 B14R1.3331 CC(C)(C)CCNCc1ccccc1 2230a_100000738805_100015291786 [1,1,0,0,0,0|1,0,1]=4 3995 B14R1.3331 CC(C)(C)CCNCc1ccccc1 2230a_100015324214_100000755188 [1,1,0,0,0,0|1,0,1]=4 3996 B14R1.3331 CC(C)(C)CCNCc1ccccc1 270004a_100000738805_100015611070 [1,1,0,0,0,0|1,0,1]=4 3997 B14R1.3331 CC(C)(C)CCNCc1ccccc1 34a_100015324214_100000755188 [1,1,0,0,0,0|1,0,1]=4 3998 B14R1.3331 CC(C)(C)CCOCc1ccccc1 34a_100000210790_100000755188 [1,1,0,0,0,0|0,0,1]=3 3999 B14R1.3331 CC(C)(C)CCOCc1ccccc1 7a_100000210790_100000755188 [1,1,0,0,0,0|0,0,1]=3 4000 B14R1.3331 CC(C)(C)CCOCc1ccccc1 7a_100000765024_100000211182 [1,1,0,0,0,0|0,0,1]=3 4001 B14R1.3331 CC(C)(C)CCOCc1ccccn1 7a_100000765024_100000721315 [1,1,0,0,0,0|1,0,1]=4 4002 B14R1.3331 CC(C)(C)CCOCc1cccnc1 7a_100000765024_100000741622 [1,1,0,0,0,0|1,0,1]=4 4003 B14R1.3331 CC(C)(C)CCOCc1ccncc1 7a_100000765024_100015193705 [1,1,0,0,0,0|1,0,1]=4 4004 B14R1.3331 CC(C)(C)CCSCc1ccccc1 62a_100000211182_100000755188 [1,1,0,0,0,0|0,1,1]=4 4005 B14R1.3331 CC(C)(C)CCSCc1ccccc1 62a_100000755188_100015291786 [1,1,0,0,0,0|0,1,1]=4 4006 B14R1.3331 CC(C)(C)NC/C=C/c1ccccc1 2230a_100000715429_100016265936 [1,1,0,0,0,0|2,0,0]=4 4007 B14R1.3331 CC(C)(C)NC/C=C/c1ccccc1 34a_100020603302_100000210625 [1,1,0,0,0,0|2,0,0]=4 4008 B14R1.3331 CC(C)(C)NCOCc1ccccc1 2230a_100000715429_100000763385 [1,1,0,0,0,0|1,0,1]=4 4009 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100000210256_100000210625 [1,1,0,0,0,0|2,0,0]=4 4010 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100015890283_100016265936 [1,1,0,0,0,0|2,0,0]=4 4011 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 7a_100015890283_100016265936 [1,1,0,0,0,0|2,0,0]=4 4012 B14R1.3331 CC(C)(C)OCOCc1ccccc1 34a_100015890283_100000763385 [1,1,0,0,0,0|1,0,1]=4 4013 B14R1.3331 CC(C)(C)SC/C=C/c1ccccc1 62a_100000211941_100016265936 [1,1,0,0,0,0|2,0,0]=4 4014 B14R1.3331 CC(C)(C)SC/C=C/c1ccccc1 62a_100016265936_100000211941 [1,1,0,0,0,0|2,0,0]=4 4015 B14R1.3331 CC(C)(C)SCOCc1ccccc1 62a_100000211941_100000763385 [1,1,0,0,0,0|1,0,1]=4 4016 B14R1.3331 CC(C)(C)SCOCc1ccccc1 62a_100000763385_100000211941 [1,1,0,0,0,0|1,0,1]=4 4017 B14R1.3331 CC(C)(F)CCNCc1ccccc1 207a_100016253952_100015611070 [1,1,0,0,0,0|1,0,1]=4 4018 B14R1.3331 CC(C)(F)CCNCc1ccccc1 2230a_100016253952_100015291786 [1,1,0,0,0,0|1,0,1]=4 4019 B14R1.3331 CC(C)(F)CCNCc1ccccc1 270004a_100016253952_100015611070 [1,1,0,0,0,0|1,0,1]=4 4020 B14R1.3331 CC(C)(O)CCCNc1ccccc1 34a_100000106764_100009888830 [1,1,0,0,0,0|2,0,0]=4 4021 B14R1.3331 CC(C)(O)CCCOc1ccccc1 34a_100000210340_100009888830 [1,1,0,0,0,0|2,0,0]=4 4022 B14R1.3331 CC(C)(O)CCCOc1ccccc1 7a_100000210340_100009888830 [1,1,0,0,0,0|2,0,0]=4 4023 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100000719477_100009888830 [1,1,0,0,0,0|2,0,0]=4 4024 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100009888830_100000041952 [1,1,0,0,0,0|2,0,0]=4 4025 B14R1.3331 CC(C)(O)CCNCc1ccccc1 207a_100000707701_100015611070 [1,1,0,0,0,0|1,0,1]=4 4026 B14R1.3331 CC(C)(O)CCNCc1ccccc1 2230a_100015324214_100000702414 [1,1,0,0,0,0|1,0,1]=4 4027 B14R1.3331 CC(C)(O)CCNCc1ccccc1 270004a_100000707701_100015611070 [1,1,0,0,0,0|1,0,1]=4 4028 B14R1.3331 CC(C)(O)CCNCc1ccccc1 34a_100015324214_100000702414 [1,1,0,0,0,0|1,0,1]=4 4029 B14R1.3331 CC(C)(O)CCOCc1ccccc1 34a_100000210790_100000702414 [1,1,0,0,0,0|0,0,1]=3 4030 B14R1.3331 CC(C)(O)CCOCc1ccccc1 7a_100000210790_100000702414 [1,1,0,0,0,0|0,0,1]=3 4031 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000211182_100000702414 [1,1,0,0,0,0|0,1,1]=4 4032 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000702414_100015291786 [1,1,0,0,0,0|0,1,1]=4 4033 B14R1.3331 C[N+](C)(C)CCOCc1ccccc1 34a_100000210790_100000085578 [1,1,0,0,0,0|1,0,1]=4 4034 B14R1.3331 C[N+](C)(C)CCOCc1ccccc1 7a_100000210790_100000085578 [1,1,0,0,0,0|1,0,1]=4 4035 B14R1.3331 C[N+](C)(C)CCOCc1ccccc1 7a_200020618287_100000211182 [1,1,0,0,0,0|1,0,1]=4 4036 B14R1.3331 C[Si](C)(C)CCOCc1ccccc1 34a_100000210790_200000733723 [1,1,0,0,0,0|0,1,1]=4 4037 B14R1.3331 C[Si](C)(C)CCOCc1ccccc1 7a_100000039746_100000211182 [1,1,0,0,0,0|0,1,1]=4 4038 B14R1.3331 C[Si](C)(C)CCOCc1ccccc1 7a_100000210790_200000733723 [1,1,0,0,0,0|0,1,1]=4 4039 B14R1.6449 CC(C)C(=O)C/C=C/c1ccccc1 1458a_100000210198_100016265936 [1,1,0,0,0,0|1,0,1]=4 4040 B14R1.6449 CC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210206 [1,1,0,0,0,0|1,0,1]=4 4041 B14R1.6449 CC(C)C(=O)COCc1ccccc1 1458a_100000230186_100000210206 [1,1,0,0,0,0|0,0,2]=4 4042 B14R1.6449 CC(C)C(=O)COCc1ccccc1 34a_100000210790_100000753385 [1,1,0,0,0,0|0,0,2]=4 4043 B14R1.6449 CC(C)C(=O)COCc1ccccc1 7a_100000210790_100000753385 [1,1,0,0,0,0|0,0,2]=4 4044 B14R1.6449 CC(C)C(O)CNCc1ccccc1 207a_100000759067_100015611070 [1,1,0,0,0,0|1,0,1]=4 4045 B14R1.6449 CC(C)C(O)CNCc1ccccc1 2230a_100000759067_100015291786 [1,1,0,0,0,0|1,0,1]=4 4046 B14R1.6449 CC(C)C(O)CNCc1ccccc1 270004a_100000759067_100015611070 [1,1,0,0,0,0|1,0,1]=4 4047 B14R1.6449 CC(C)C(O)CNCc1ccccc1 34a_100000759067_100015291786 [1,1,0,0,0,0|1,0,1]=4 4048 B14R1.6449 CC(C)N(C)C/C=C/c1ccccc1 269982a_200000211004_100016265936 [1,1,0,0,0,0|2,0,0]=4 4049 B14R1.6449 CC(C)N(C)CC=Cc1ccccc1 270004a_200000211004_100000210105 [1,1,0,0,0,0|2,0,0]=4 4050 B14R1.6449 CC(C)[C@@H](N)COCc1ccccc1 34a_100011830312_100015291786 [1,1,0,0,0,0|0,0,1]=3 4051 B14R1.6449 CC(C)[C@@H](N)COCc1ccccn1 34a_100011830312_100000721315 [1,1,0,0,0,0|1,0,1]=4 4052 B14R1.6449 CC(C)[C@@H](N)COCc1cccnc1 34a_100011830312_100000733263 [1,1,0,0,0,0|1,0,1]=4 4053 B14R1.6449 CC(COCc1ccccc1)N(C)C 270004a_100102631434_100011215004 [1,1,0,0,0,0|1,0,1]=4 4054 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000730704 [0,1,0,0,1,0|0,0,2]=4 4055 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)C 1458a_100000189346_100000730704 [0,1,0,0,1,0|0,0,2]=4 4056 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000730704 [0,1,0,0,1,0|0,0,2]=4 4057 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)F 1458a_100000210950_100000730704 [0,1,0,0,1,0|0,0,2]=4 4058 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)I 1458a_100000184098_100000730704 [0,1,0,0,1,0|0,0,2]=4 4059 B14R1.149 C=C(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000730704 [0,1,0,0,1,0|0,0,2]=4 4060 B14R1.149 CC(=CCC(=O)c1cccc(c1)Br)C 1458a_100000210664_100000761012 [0,1,0,0,1,0|0,0,2]=4 4061 B14R1.149 CC(=CCC(=O)c1cccc(c1)C)C 1458a_100000189346_100000761012 [0,1,0,0,1,0|0,0,2]=4 4062 B14R1.149 CC(=CCC(=O)c1cccc(c1)Cl)C 1458a_100000210390_100000761012 [0,1,0,0,1,0|0,0,2]=4 4063 B14R1.149 CC(=CCC(=O)c1cccc(c1)F)C 1458a_100000210950_100000761012 [0,1,0,0,1,0|0,0,2]=4 4064 B14R1.149 CC(=CCC(=O)c1cccc(c1)I)C 1458a_100000184098_100000761012 [0,1,0,0,1,0|0,0,2]=4 4065 B14R1.149 CC(=CCC(=O)c1cccc(c1)O)C 1458a_100000183914_100000761012 [0,1,0,0,1,0|0,0,2]=4 4066 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210312 [0,1,0,0,1,0|0,0,0]=2 4067 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210312 [0,1,0,0,1,0|0,0,0]=2 4068 B14R1.149 CC(C)CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210312 [0,1,0,0,1,0|0,0,0]=2 4069 B14R1.149 CC(C)CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210312 [0,1,0,0,1,0|0,0,0]=2 4070 B14R1.149 CC(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210312 [0,1,0,0,1,0|0,0,0]=2 4071 B14R1.149 CC(C)CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210312 [0,1,0,0,1,0|2,0,0]=4 4072 B14R1.149 CC(C)CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210312 [0,1,0,0,1,0|2,0,0]=4 4073 B14R1.149 CC(C)CCN(C)c1cccc(c1)Br 34a_100000219648_100000210312 [0,1,0,0,1,0|2,0,0]=4 4074 B14R1.149 CC(C)CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210312 [0,1,0,0,1,0|2,0,0]=4 4075 B14R1.149 CC(C)CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210312 [0,1,0,0,1,0|2,0,0]=4 4076 B14R1.149 CC(C)CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210312 [0,1,0,0,1,0|2,0,0]=4 4077 B14R1.149 CC(C)CCN(C)c1cccc(c1)F 2230a_100020633736_100000210312 [0,1,0,0,1,0|2,0,0]=4 4078 B14R1.149 CC(C)CCN(C)c1cccc(c1)F 269982a_100020633736_100000210312 [0,1,0,0,1,0|2,0,0]=4 4079 B14R1.149 CC(C)CCN(C)c1cccc(c1)F 34a_100020633736_100000210312 [0,1,0,0,1,0|2,0,0]=4 4080 B14R1.149 CC(C)CCN(C)c1cccc(c1)I 2230a_100000221217_100000210312 [0,1,0,0,1,0|2,0,0]=4 4081 B14R1.149 CC(C)CCN(C)c1cccc(c1)I 269982a_100000221217_100000210312 [0,1,0,0,1,0|2,0,0]=4 4082 B14R1.149 CC(C)CCN(C)c1cccc(c1)I 34a_100000221217_100000210312 [0,1,0,0,1,0|2,0,0]=4 4083 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 2230a_100000756613_100000210312 [0,1,0,0,1,0|2,0,0]=4 4084 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 269982a_100000756613_100000210312 [0,1,0,0,1,0|2,0,0]=4 4085 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 34a_100000756613_100000210312 [0,1,0,0,1,0|2,0,0]=4 4086 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 11a_100000210953_100000210664 [0,1,0,0,1,0|1,0,0]=3 4087 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 1626a_100000210953_100000210664 [0,1,0,0,1,0|1,0,0]=3 4088 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 240690a_100000210953_100000210664 [0,1,0,0,1,0|1,0,0]=3 4089 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 527a_100000210953_100000210664 [0,1,0,0,1,0|1,0,0]=3 4090 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 11a_100000210953_100000210390 [0,1,0,0,1,0|1,0,0]=3 4091 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 1626a_100000210953_100000210390 [0,1,0,0,1,0|1,0,0]=3 4092 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 240690a_100000210953_100000210390 [0,1,0,0,1,0|1,0,0]=3 4093 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 527a_100000210953_100000210390 [0,1,0,0,1,0|1,0,0]=3 4094 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 11a_100000210953_100000210950 [0,1,0,0,1,0|1,0,0]=3 4095 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 1626a_100000210953_100000210950 [0,1,0,0,1,0|1,0,0]=3 4096 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 240690a_100000210953_100000210950 [0,1,0,0,1,0|1,0,0]=3 4097 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 527a_100000210953_100000210950 [0,1,0,0,1,0|1,0,0]=3 4098 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 11a_100000210953_100000184098 [0,1,0,0,1,0|1,0,0]=3 4099 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 1626a_100000210953_100000184098 [0,1,0,0,1,0|1,0,0]=3 4100 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 240690a_100000210953_100000184098 [0,1,0,0,1,0|1,0,0]=3 4101 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 527a_100000210953_100000184098 [0,1,0,0,1,0|1,0,0]=3 4102 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 240690a_100000210953_100000183914 [0,1,0,0,1,0|1,0,0]=3 4103 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 527a_100000210953_100000183914 [0,1,0,0,1,0|1,0,0]=3 4104 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 34a_100000246457_100000210624 [0,1,0,0,1,0|1,0,1]=4 4105 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 7a_100000246457_100000210760 [0,1,0,0,1,0|1,0,1]=4 4106 B14R1.149 CC(C)COC(C)c1cccc(c1)F 34a_100000744526_100000210624 [0,1,0,0,1,0|1,0,1]=4 4107 B14R1.149 CC(C)COC(C)c1cccc(c1)F 7a_100000744526_100000210760 [0,1,0,0,1,0|1,0,1]=4 4108 B14R1.149 CC(C)COC(C)c1cccc(c1)I 34a_100013085317_100000210624 [0,1,0,0,1,0|1,0,1]=4 4109 B14R1.149 CC(C)COC(C)c1cccc(c1)I 7a_100013085317_100000210760 [0,1,0,0,1,0|1,0,1]=4 4110 B14R1.149 CC(C)COC(C)c1cccc(c1)N 34a_100011217120_100000210624 [0,1,0,0,1,0|1,0,1]=4 4111 B14R1.149 CC(C)COC(C)c1cccc(c1)N 7a_100011217120_100000210760 [0,1,0,0,1,0|1,0,1]=4 4112 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210624 [0,1,0,0,1,0|1,0,1]=4 4113 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210760 [0,1,0,0,1,0|1,0,1]=4 4114 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 2230a_100138425928_100000212080 [0,1,0,0,1,0|1,0,0]=3 4115 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 34a_100138425928_100000212080 [0,1,0,0,1,0|1,0,0]=3 4116 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 2230a_100138425928_100000211444 [0,1,0,0,1,0|1,0,0]=3 4117 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 34a_100138425928_100000211444 [0,1,0,0,1,0|1,0,0]=3 4118 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 2230a_100138425928_100000215616 [0,1,0,0,1,0|1,0,0]=3 4119 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 34a_100138425928_100000215616 [0,1,0,0,1,0|1,0,0]=3 4120 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [0,1,0,0,1,0|1,0,0]=3 4121 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Br 22a_100000741168_100000210664 [0,1,0,0,1,0|2,0,0]=4 4122 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Cl 22a_100000741168_100000210390 [0,1,0,0,1,0|2,0,0]=4 4123 B14R1.149 CC(C)NNC(=O)c1cccc(c1)F 22a_100000741168_100000210950 [0,1,0,0,1,0|2,0,0]=4 4124 B14R1.149 CC(C)NNC(=O)c1cccc(c1)I 22a_100000741168_100000184098 [0,1,0,0,1,0|2,0,0]=4 4125 B14R1.149 CC(C)NNC(=O)c1cccc(c1)O 22a_100000741168_100000183914 [0,1,0,0,1,0|2,0,0]=4 4126 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Br 34a_100000212225_100000212080 [0,1,0,0,1,0|1,0,0]=3 4127 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 34a_100000212225_100000211444 [0,1,0,0,1,0|1,0,0]=3 4128 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210206 [0,1,0,0,1,0|1,0,0]=3 4129 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100000212225_100000215616 [0,1,0,0,1,0|1,0,0]=3 4130 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100011592800_100000210206 [0,1,0,0,1,0|1,0,0]=3 4131 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 7a_100011592800_100000210206 [0,1,0,0,1,0|1,0,0]=3 4132 B14R1.149 CC(C)OCC(=O)c1cccc(c1)O 34a_100000212225_100009813753 [0,1,0,0,1,0|1,0,0]=3 4133 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000210206_100000212080 [0,1,0,0,1,0|1,0,0]=3 4134 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000212080_100000210206 [0,1,0,0,1,0|1,0,0]=3 4135 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000210206_100000211444 [0,1,0,0,1,0|1,0,0]=3 4136 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210206 [0,1,0,0,1,0|1,0,0]=3 4137 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000210206_100000215616 [0,1,0,0,1,0|1,0,0]=3 4138 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000215616_100000210206 [0,1,0,0,1,0|1,0,0]=3 4139 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100000210206_100009813753 [0,1,0,0,1,0|1,0,0]=3 4140 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_100000210206 [0,1,0,0,1,0|1,0,0]=3 4141 B14R1.149 CC(C)SCC(=O)c1ccnc(c1)Cl 62a_100000210206_100009817076 [0,1,0,0,1,0|2,0,0]=4 4142 B14R1.149 CC(C)SCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210206 [0,1,0,0,1,0|2,0,0]=4 4143 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100012276601 [0,1,0,0,1,0|1,0,0]=3 4144 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012276601 [0,1,0,0,1,0|1,0,0]=3 4145 B14R1.149 CC(O)CCC(=O)c1cccc(c1)F 1458a_100000210950_100012276601 [0,1,0,0,1,0|1,0,0]=3 4146 B14R1.149 CC(O)CCC(=O)c1cccc(c1)I 1458a_100000184098_100012276601 [0,1,0,0,1,0|1,0,0]=3 4147 B14R1.149 CC(O)CCC(=O)c1cccc(c1)O 1458a_100000183914_100012276601 [0,1,0,0,1,0|1,0,0]=3 4148 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 11a_100000210904_100000210664 [0,1,0,0,1,0|2,0,0]=4 4149 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 240690a_100000210904_100000210664 [0,1,0,0,1,0|2,0,0]=4 4150 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 527a_100000210904_100000210664 [0,1,0,0,1,0|2,0,0]=4 4151 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 11a_100000210904_100000210390 [0,1,0,0,1,0|2,0,0]=4 4152 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 240690a_100000210904_100000210390 [0,1,0,0,1,0|2,0,0]=4 4153 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 527a_100000210904_100000210390 [0,1,0,0,1,0|2,0,0]=4 4154 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 11a_100000210904_100000210950 [0,1,0,0,1,0|2,0,0]=4 4155 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 240690a_100000210904_100000210950 [0,1,0,0,1,0|2,0,0]=4 4156 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 527a_100000210904_100000210950 [0,1,0,0,1,0|2,0,0]=4 4157 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 11a_100000210904_100000184098 [0,1,0,0,1,0|2,0,0]=4 4158 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 240690a_100000210904_100000184098 [0,1,0,0,1,0|2,0,0]=4 4159 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 527a_100000210904_100000184098 [0,1,0,0,1,0|2,0,0]=4 4160 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 240690a_100000210904_100000183914 [0,1,0,0,1,0|2,0,0]=4 4161 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 527a_100000210904_100000183914 [0,1,0,0,1,0|2,0,0]=4 4162 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)C 1458a_100000189346_100000210312 [0,1,0,0,1,0|0,0,0]=2 4163 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)O 1458a_100000189346_100012276601 [0,1,0,0,1,0|1,0,0]=3 4164 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 2230a_100138425928_100000739480 [0,1,0,0,1,0|1,0,0]=3 4165 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000739480 [0,1,0,0,1,0|1,0,0]=3 4166 B14R1.149 Cc1cccc(c1)C(=O)COC(C)C 34a_100000212225_100000739480 [0,1,0,0,1,0|1,0,0]=3 4167 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000210206_100000739480 [0,1,0,0,1,0|1,0,0]=3 4168 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000739480_100000210206 [0,1,0,0,1,0|1,0,0]=3 4169 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 11a_100000210953_100000189346 [0,1,0,0,1,0|1,0,0]=3 4170 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 1626a_100000210953_100000189346 [0,1,0,0,1,0|1,0,0]=3 4171 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 240690a_100000210953_100000189346 [0,1,0,0,1,0|1,0,0]=3 4172 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 527a_100000210953_100000189346 [0,1,0,0,1,0|1,0,0]=3 4173 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 11a_100000210904_100000189346 [0,1,0,0,1,0|2,0,0]=4 4174 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 240690a_100000210904_100000189346 [0,1,0,0,1,0|2,0,0]=4 4175 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 527a_100000210904_100000189346 [0,1,0,0,1,0|2,0,0]=4 4176 B14R1.149 Cc1cccc(c1)C(=O)NNC(C)C 22a_100000741168_100000189346 [0,1,0,0,1,0|2,0,0]=4 4177 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 34a_100000757818_100000210624 [0,1,0,0,1,0|1,0,1]=4 4178 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 7a_100000757818_100000210760 [0,1,0,0,1,0|1,0,1]=4 4179 B14R1.149 Cc1cccc(c1)N(C)CCC(C)C 2230a_100000219674_100000210312 [0,1,0,0,1,0|2,0,0]=4 4180 B14R1.149 Cc1cccc(c1)N(C)CCC(C)C 269982a_100000219674_100000210312 [0,1,0,0,1,0|2,0,0]=4 4181 B14R1.149 Cc1cccc(c1)N(C)CCC(C)C 34a_100000219674_100000210312 [0,1,0,0,1,0|2,0,0]=4 4182 B14R1.160 C=C(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000730704 [0,1,0,0,1,0|0,0,2]=4 4183 B14R1.160 C=C(C)CCC(=O)c1ccccc1C 1458a_100000212026_100000730704 [0,1,0,0,1,0|0,0,2]=4 4184 B14R1.160 C=C(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000730704 [0,1,0,0,1,0|0,0,2]=4 4185 B14R1.160 C=C(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000730704 [0,1,0,0,1,0|0,0,2]=4 4186 B14R1.160 C=C(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000730704 [0,1,0,0,1,0|0,0,2]=4 4187 B14R1.160 C=C(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000730704 [0,1,0,0,1,0|0,0,2]=4 4188 B14R1.160 C=C(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000730704 [0,1,0,0,1,0|0,0,2]=4 4189 B14R1.160 CC(=CCC(=O)c1ccccc1Br)C 1458a_100000188424_100000761012 [0,1,0,0,1,0|0,0,2]=4 4190 B14R1.160 CC(=CCC(=O)c1ccccc1C)C 1458a_100000212026_100000761012 [0,1,0,0,1,0|0,0,2]=4 4191 B14R1.160 CC(=CCC(=O)c1ccccc1Cl)C 1458a_100000185844_100000761012 [0,1,0,0,1,0|0,0,2]=4 4192 B14R1.160 CC(=CCC(=O)c1ccccc1F)C 1458a_100000188656_100000761012 [0,1,0,0,1,0|0,0,2]=4 4193 B14R1.160 CC(=CCC(=O)c1ccccc1I)C 1458a_100000187884_100000761012 [0,1,0,0,1,0|0,0,2]=4 4194 B14R1.160 CC(=CCC(=O)c1ccccc1O)C 1458a_100015234032_100000761012 [0,1,0,0,1,0|0,0,2]=4 4195 B14R1.160 CC(=CCC(=O)c1ccccc1[O-])C 1458a_100009911694_100000761012 [0,1,0,0,1,0|0,0,2]=4 4196 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,1,0,0,1,0|1,0,1]=4 4197 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [0,1,0,0,1,0|1,0,1]=4 4198 B14R1.160 CC(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000210312 [0,1,0,0,1,0|0,0,0]=2 4199 B14R1.160 CC(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210312 [0,1,0,0,1,0|0,0,0]=2 4200 B14R1.160 CC(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000210312 [0,1,0,0,1,0|0,0,0]=2 4201 B14R1.160 CC(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000210312 [0,1,0,0,1,0|0,0,0]=2 4202 B14R1.160 CC(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000210312 [0,1,0,0,1,0|0,0,0]=2 4203 B14R1.160 CC(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210312 [0,1,0,0,1,0|0,0,0]=2 4204 B14R1.160 CC(C)CCN(C)c1ccccc1Br 2230a_100020606079_100000210312 [0,1,0,0,1,0|2,0,0]=4 4205 B14R1.160 CC(C)CCN(C)c1ccccc1Br 269982a_100020606079_100000210312 [0,1,0,0,1,0|2,0,0]=4 4206 B14R1.160 CC(C)CCN(C)c1ccccc1Br 34a_100020606079_100000210312 [0,1,0,0,1,0|2,0,0]=4 4207 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 2230a_100000219374_100000210312 [0,1,0,0,1,0|2,0,0]=4 4208 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 269982a_100000219374_100000210312 [0,1,0,0,1,0|2,0,0]=4 4209 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 34a_100000219374_100000210312 [0,1,0,0,1,0|2,0,0]=4 4210 B14R1.160 CC(C)CCN(C)c1ccccc1F 2230a_100000220357_100000210312 [0,1,0,0,1,0|2,0,0]=4 4211 B14R1.160 CC(C)CCN(C)c1ccccc1F 269982a_100000220357_100000210312 [0,1,0,0,1,0|2,0,0]=4 4212 B14R1.160 CC(C)CCN(C)c1ccccc1F 34a_100000220357_100000210312 [0,1,0,0,1,0|2,0,0]=4 4213 B14R1.160 CC(C)CCN(C)c1ccccc1F 38a_100000220357_100000210312 [0,1,0,0,1,0|2,0,0]=4 4214 B14R1.160 CC(C)CCN(C)c1ccccc1O 269982a_100000033821_100000210312 [0,1,0,0,1,0|2,0,0]=4 4215 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 11a_100000210953_100000188424 [0,1,0,0,1,0|1,0,0]=3 4216 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 1626a_100000210953_100000188424 [0,1,0,0,1,0|1,0,0]=3 4217 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 240690a_100000210953_100000188424 [0,1,0,0,1,0|1,0,0]=3 4218 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 527a_100000210953_100000188424 [0,1,0,0,1,0|1,0,0]=3 4219 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 11a_100000210953_100000185844 [0,1,0,0,1,0|1,0,0]=3 4220 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 1626a_100000210953_100000185844 [0,1,0,0,1,0|1,0,0]=3 4221 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 240690a_100000210953_100000185844 [0,1,0,0,1,0|1,0,0]=3 4222 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 527a_100000210953_100000185844 [0,1,0,0,1,0|1,0,0]=3 4223 B14R1.160 CC(C)CNC(=O)c1ccccc1F 11a_100000210953_100000188656 [0,1,0,0,1,0|1,0,0]=3 4224 B14R1.160 CC(C)CNC(=O)c1ccccc1F 1626a_100000210953_100000188656 [0,1,0,0,1,0|1,0,0]=3 4225 B14R1.160 CC(C)CNC(=O)c1ccccc1F 240690a_100000210953_100000188656 [0,1,0,0,1,0|1,0,0]=3 4226 B14R1.160 CC(C)CNC(=O)c1ccccc1F 527a_100000210953_100000188656 [0,1,0,0,1,0|1,0,0]=3 4227 B14R1.160 CC(C)CNC(=O)c1ccccc1I 11a_100000210953_100000187884 [0,1,0,0,1,0|1,0,0]=3 4228 B14R1.160 CC(C)CNC(=O)c1ccccc1I 1626a_100000210953_100000187884 [0,1,0,0,1,0|1,0,0]=3 4229 B14R1.160 CC(C)CNC(=O)c1ccccc1I 240690a_100000210953_100000187884 [0,1,0,0,1,0|1,0,0]=3 4230 B14R1.160 CC(C)CNC(=O)c1ccccc1I 527a_100000210953_100000187884 [0,1,0,0,1,0|1,0,0]=3 4231 B14R1.160 CC(C)CNC(=O)c1ccccc1O 240690a_100000210953_100015234032 [0,1,0,0,1,0|1,0,0]=3 4232 B14R1.160 CC(C)CNC(=O)c1ccccc1O 271570a_203496583355_200000155729 [0,1,0,0,1,0|1,0,0]=3 4233 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 1626a_100000210953_100009911694 [0,1,0,0,1,0|1,0,0]=3 4234 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 240690a_100000210953_100009911694 [0,1,0,0,1,0|1,0,0]=3 4235 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 527a_100000210953_100009911694 [0,1,0,0,1,0|1,0,0]=3 4236 B14R1.160 CC(C)COC(C)c1ccccc1Br 34a_100000702211_100000210624 [0,1,0,0,1,0|1,0,1]=4 4237 B14R1.160 CC(C)COC(C)c1ccccc1Br 7a_100000702211_100000210760 [0,1,0,0,1,0|1,0,1]=4 4238 B14R1.160 CC(C)COC(C)c1ccccc1Cl 34a_100000740796_100000210624 [0,1,0,0,1,0|1,0,1]=4 4239 B14R1.160 CC(C)COC(C)c1ccccc1Cl 7a_100000740796_100000210760 [0,1,0,0,1,0|1,0,1]=4 4240 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000210257_200000741388 [0,1,0,0,1,0|1,0,1]=4 4241 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000697922_100000210624 [0,1,0,0,1,0|1,0,1]=4 4242 B14R1.160 CC(C)COC(C)c1ccccc1F 7a_100000697922_100000210760 [0,1,0,0,1,0|1,0,1]=4 4243 B14R1.160 CC(C)COC(C)c1ccccc1N 7a_100011405641_100000210760 [0,1,0,0,1,0|1,0,1]=4 4244 B14R1.160 CC(C)NCC(=O)c1ccccc1Br 34a_100138425928_100000199116 [0,1,0,0,1,0|1,0,0]=3 4245 B14R1.160 CC(C)NCC(=O)c1ccccc1Cl 34a_100138425928_100000211432 [0,1,0,0,1,0|1,0,0]=3 4246 B14R1.160 CC(C)NCC(=O)c1ccccc1F 34a_100138425928_100000204681 [0,1,0,0,1,0|1,0,0]=3 4247 B14R1.160 CC(C)NNC(=O)c1ccccc1Br 22a_100000741168_100000188424 [0,1,0,0,1,0|2,0,0]=4 4248 B14R1.160 CC(C)NNC(=O)c1ccccc1Cl 22a_100000741168_100000185844 [0,1,0,0,1,0|2,0,0]=4 4249 B14R1.160 CC(C)NNC(=O)c1ccccc1F 22a_100000741168_100000188656 [0,1,0,0,1,0|2,0,0]=4 4250 B14R1.160 CC(C)NNC(=O)c1ccccc1I 22a_100000741168_100000187884 [0,1,0,0,1,0|2,0,0]=4 4251 B14R1.160 CC(C)NNC(=O)c1ccccc1O 22a_100000741168_100015234032 [0,1,0,0,1,0|2,0,0]=4 4252 B14R1.160 CC(C)NNC(=O)c1ccccc1[O-] 22a_100000741168_100009911694 [0,1,0,0,1,0|2,0,0]=4 4253 B14R1.160 CC(C)OCC(=O)c1ccccc1Br 34a_100000212225_100000199116 [0,1,0,0,1,0|1,0,0]=3 4254 B14R1.160 CC(C)OCC(=O)c1ccccc1Cl 34a_100000212225_100000211432 [0,1,0,0,1,0|1,0,0]=3 4255 B14R1.160 CC(C)OCC(=O)c1ccccc1F 34a_100000212225_100000204681 [0,1,0,0,1,0|1,0,0]=3 4256 B14R1.160 CC(C)SCC(=O)c1ccccc1Br 62a_100000199116_100000210206 [0,1,0,0,1,0|1,0,0]=3 4257 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000210206_100000211432 [0,1,0,0,1,0|1,0,0]=3 4258 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000210206 [0,1,0,0,1,0|1,0,0]=3 4259 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000204681_100000210206 [0,1,0,0,1,0|1,0,0]=3 4260 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000210206_100000204681 [0,1,0,0,1,0|1,0,0]=3 4261 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000188908_100000210206 [0,1,0,0,1,0|1,0,0]=3 4262 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000210206_100000188908 [0,1,0,0,1,0|1,0,0]=3 4263 B14R1.160 CC(O)CCC(=O)c1ccccc1Br 1458a_100000188424_100012276601 [0,1,0,0,1,0|1,0,0]=3 4264 B14R1.160 CC(O)CCC(=O)c1ccccc1Cl 1458a_100000185844_100012276601 [0,1,0,0,1,0|1,0,0]=3 4265 B14R1.160 CC(O)CCC(=O)c1ccccc1F 1458a_100000188656_100012276601 [0,1,0,0,1,0|1,0,0]=3 4266 B14R1.160 CC(O)CCC(=O)c1ccccc1I 1458a_100000187884_100012276601 [0,1,0,0,1,0|1,0,0]=3 4267 B14R1.160 CC(O)CCC(=O)c1ccccc1O 1458a_100015234032_100012276601 [0,1,0,0,1,0|1,0,0]=3 4268 B14R1.160 CC(O)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100012276601 [0,1,0,0,1,0|1,0,0]=3 4269 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 11a_100000210904_100000188424 [0,1,0,0,1,0|2,0,0]=4 4270 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 240690a_100000210904_100000188424 [0,1,0,0,1,0|2,0,0]=4 4271 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 527a_100000210904_100000188424 [0,1,0,0,1,0|2,0,0]=4 4272 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 11a_100000210904_100000185844 [0,1,0,0,1,0|2,0,0]=4 4273 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 240690a_100000210904_100000185844 [0,1,0,0,1,0|2,0,0]=4 4274 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 527a_100000210904_100000185844 [0,1,0,0,1,0|2,0,0]=4 4275 B14R1.160 CC(O)CNC(=O)c1ccccc1F 11a_100000210904_100000188656 [0,1,0,0,1,0|2,0,0]=4 4276 B14R1.160 CC(O)CNC(=O)c1ccccc1F 240690a_100000210904_100000188656 [0,1,0,0,1,0|2,0,0]=4 4277 B14R1.160 CC(O)CNC(=O)c1ccccc1F 527a_100000210904_100000188656 [0,1,0,0,1,0|2,0,0]=4 4278 B14R1.160 CC(O)CNC(=O)c1ccccc1I 11a_100000210904_100000187884 [0,1,0,0,1,0|2,0,0]=4 4279 B14R1.160 CC(O)CNC(=O)c1ccccc1I 240690a_100000210904_100000187884 [0,1,0,0,1,0|2,0,0]=4 4280 B14R1.160 CC(O)CNC(=O)c1ccccc1I 527a_100000210904_100000187884 [0,1,0,0,1,0|2,0,0]=4 4281 B14R1.160 CC(O)CNC(=O)c1ccccc1O 240690a_100000210904_100015234032 [0,1,0,0,1,0|2,0,0]=4 4282 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 240690a_100000210904_100009911694 [0,1,0,0,1,0|2,0,0]=4 4283 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 527a_100000210904_100009911694 [0,1,0,0,1,0|2,0,0]=4 4284 B14R1.160 CN(C)CCC(=O)c1ccccc1F 2230a_100102631434_100000086012 [0,1,0,0,1,0|1,0,0]=3 4285 B14R1.160 CN(C)CCC(=O)c1ccccc1F 269982a_100102631434_100000086012 [0,1,0,0,1,0|1,0,0]=3 4286 B14R1.160 CN(C)CCC(=O)c1ccccc1O 269982a_100102631434_100009873196 [0,1,0,0,1,0|1,0,0]=3 4287 B14R1.160 Cc1ccccc1C(=O)CCC(C)C 1458a_100000212026_100000210312 [0,1,0,0,1,0|0,0,0]=2 4288 B14R1.160 Cc1ccccc1C(=O)CCC(C)O 1458a_100000212026_100012276601 [0,1,0,0,1,0|1,0,0]=3 4289 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 2230a_100138425928_100000741374 [0,1,0,0,1,0|1,0,0]=3 4290 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 34a_100138425928_100000741374 [0,1,0,0,1,0|1,0,0]=3 4291 B14R1.160 Cc1ccccc1C(=O)COC(C)C 34a_100000212225_100000741374 [0,1,0,0,1,0|1,0,0]=3 4292 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000210206_100000741374 [0,1,0,0,1,0|1,0,0]=3 4293 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000741374_100000210206 [0,1,0,0,1,0|1,0,0]=3 4294 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 11a_100000210953_100000212026 [0,1,0,0,1,0|1,0,0]=3 4295 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 1626a_100000210953_100000212026 [0,1,0,0,1,0|1,0,0]=3 4296 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 240690a_100000210953_100000212026 [0,1,0,0,1,0|1,0,0]=3 4297 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 527a_100000210953_100000212026 [0,1,0,0,1,0|1,0,0]=3 4298 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 11a_100000210904_100000212026 [0,1,0,0,1,0|2,0,0]=4 4299 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 240690a_100000210904_100000212026 [0,1,0,0,1,0|2,0,0]=4 4300 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 527a_100000210904_100000212026 [0,1,0,0,1,0|2,0,0]=4 4301 B14R1.160 Cc1ccccc1C(=O)NNC(C)C 22a_100000741168_100000212026 [0,1,0,0,1,0|2,0,0]=4 4302 B14R1.160 Cc1ccccc1C(C)OCC(C)C 34a_100000742021_100000210624 [0,1,0,0,1,0|1,0,1]=4 4303 B14R1.160 Cc1ccccc1C(C)OCC(C)C 7a_100000742021_100000210760 [0,1,0,0,1,0|1,0,1]=4 4304 B14R1.160 Cc1ccccc1N(C)CCC(C)C 2230a_100000219699_100000210312 [0,1,0,0,1,0|2,0,0]=4 4305 B14R1.160 Cc1ccccc1N(C)CCC(C)C 269982a_100000219699_100000210312 [0,1,0,0,1,0|2,0,0]=4 4306 B14R1.160 Cc1ccccc1N(C)CCC(C)C 34a_100000219699_100000210312 [0,1,0,0,1,0|2,0,0]=4 4307 B14R1.415 CC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_200000210301 [0,1,0,0,1,0|1,0,1]=4 4308 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000753385 [0,1,0,0,1,0|0,0,1]=3 4309 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000210198_100000211460 [0,1,0,0,1,0|0,0,1]=3 4310 B14R1.415 CC(C)C(=O)CC(=O)c1ccccn1 1458a_100000210198_100000027445 [0,1,0,0,1,0|1,0,1]=4 4311 B14R1.415 CC(C)C(=O)CC(=O)c1cccnc1 1458a_100000210198_100015188593 [0,1,0,0,1,0|1,0,1]=4 4312 B14R1.415 CC(C)C(=O)CC(=O)c1ccncc1 1458a_100000210198_100000027454 [0,1,0,0,1,0|1,0,1]=4 4313 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 11a_100000211541_100000185807 [0,1,0,0,1,0|1,0,0]=3 4314 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 1626a_100000211541_100000185807 [0,1,0,0,1,0|1,0,0]=3 4315 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 240690a_100000211541_100000185807 [0,1,0,0,1,0|1,0,0]=3 4316 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 527a_100000211541_100000185807 [0,1,0,0,1,0|1,0,0]=3 4317 B14R1.415 CC(C)N(C)CC(=O)c1ccccc1 269982a_200000211004_100000211460 [0,1,0,0,1,0|1,0,0]=3 4318 B14R1.415 CC(C)N(C)CC(=O)c1ccccn1 269982a_200000211004_100000027445 [0,1,0,0,1,0|2,0,0]=4 4319 B14R1.415 CC(C)N(C)CC(=O)c1cccnc1 269982a_200000211004_100000757877 [0,1,0,0,1,0|2,0,0]=4 4320 B14R1.415 CC(C)N(C)CC(=O)c1ccncc1 269982a_200000211004_100000027454 [0,1,0,0,1,0|2,0,0]=4 4321 B14R1.415 CC(C)N(C)CS(=O)c1ccccc1 269982a_200000211004_100000031784 [0,1,0,0,1,0|2,0,0]=4 4322 B14R1.415 CC(F)C(=O)CC(=O)c1ccccc1 1458a_100000062450_100000211460 [0,1,0,0,1,0|1,0,1]=4 4323 B14R1.415 CC(OC(C)C(C)C)c1ccccc1 7a_100000748068_100000230085 [0,1,0,0,1,0|1,0,1]=4 4324 B14R1.415 CN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000185267 [0,1,0,0,1,0|1,0,1]=4 4325 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000717761_100000211460 [0,1,0,0,1,0|1,0,1]=4 4326 B14R1.415 C[C@@H](OC(=O)c1ccccc1)C(=O)[13CH3] 1458a_200035542198_200025704644 [0,1,0,0,1,0|1,0,1]=4 4327 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_217856618621_100000211460 [0,1,0,0,1,0|1,0,1]=4 4328 B14R1.417 C=C(C(=O)CC(C)C)c1ccccc1 1458a_100000065200_100000210624 [0,1,0,0,1,0|1,0,1]=4 4329 B14R1.417 CC(C)CC(C)C(=O)c1ccccc1 1458a_100000185807_100000731052 [0,1,0,0,1,0|0,0,0]=2 4330 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 2230a_100000210012_100000731052 [0,1,0,0,1,0|2,0,0]=4 4331 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 2230a_100000712670_200000210301 [0,1,0,0,1,0|2,0,0]=4 4332 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 269982a_100000210012_100000731052 [0,1,0,0,1,0|2,0,0]=4 4333 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 269982a_100000712670_200000210301 [0,1,0,0,1,0|2,0,0]=4 4334 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 34a_100000210012_100000731052 [0,1,0,0,1,0|2,0,0]=4 4335 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 34a_100000712670_200000210301 [0,1,0,0,1,0|2,0,0]=4 4336 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 38a_100000712670_200000210301 [0,1,0,0,1,0|2,0,0]=4 4337 B14R1.417 CC(C)CC(C)N(C)c1ccccc1 7a_100000712670_200000210301 [0,1,0,0,1,0|2,0,0]=4 4338 B14R1.417 CC(C)CC(C)N([13CH3])c1ccccc1 2230a_100000712670_200025704644 [0,1,0,0,1,0|2,0,0]=4 4339 B14R1.417 CC(C)CC(C)N([13CH3])c1ccccc1 269982a_100000712670_200025704644 [0,1,0,0,1,0|2,0,0]=4 4340 B14R1.417 CC(C)CC(C)N([13CH3])c1ccccc1 34a_100000712670_200025704644 [0,1,0,0,1,0|2,0,0]=4 4341 B14R1.417 CC(C)CC(C)N([13CH3])c1ccccc1 38a_100000712670_200025704644 [0,1,0,0,1,0|2,0,0]=4 4342 B14R1.417 CC(C)CC(C)N([13CH3])c1ccccc1 7a_100000712670_200025704644 [0,1,0,0,1,0|2,0,0]=4 4343 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 11a_100000747067_100000185807 [0,1,0,0,1,0|1,0,0]=3 4344 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 1626a_100000747067_100000185807 [0,1,0,0,1,0|1,0,0]=3 4345 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 240690a_100000747067_100000185807 [0,1,0,0,1,0|1,0,0]=3 4346 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 527a_100000747067_100000185807 [0,1,0,0,1,0|1,0,0]=3 4347 B14R1.417 CC(C)NC(C)C(=O)c1ccccc1 2230a_100138425928_100000239700 [0,1,0,0,1,0|1,0,0]=3 4348 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000210206_100000239700 [0,1,0,0,1,0|1,0,0]=3 4349 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000239700_100000210206 [0,1,0,0,1,0|1,0,0]=3 4350 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 240690a_100000227577_100000185807 [0,1,0,0,1,0|2,0,0]=4 4351 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 527a_100000227577_100000185807 [0,1,0,0,1,0|2,0,0]=4 4352 B14R1.540 C#CC(OCC(C)C)c1ccccc1 34a_100011219616_100000210624 [0,1,0,0,1,0|1,0,1]=4 4353 B14R1.540 C#CC(OCC(C)C)c1ccccc1 7a_100011219616_100000210760 [0,1,0,0,1,0|1,0,1]=4 4354 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,1,0,0,1,0|1,0,1]=4 4355 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,1,0,0,1,0|1,0,1]=4 4356 B14R1.540 CC(C)COC(C#N)c1ccccc1 7a_100011217353_100000210760 [0,1,0,0,1,0|1,0,1]=4 4357 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,1,0,0,1,0|1,0,1]=4 4358 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,1,0,0,1,0|1,0,1]=4 4359 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,1,0,0,1,0|1,0,1]=4 4360 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,1,0,0,1,0|1,0,1]=4 4361 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,1,0,0,1,0|1,0,1]=4 4362 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,1,0,0,1,0|1,0,1]=4 4363 B14R1.540 CCN(CCC(C)C)c1ccccc1 2230a_100000210013_100000210312 [0,1,0,0,1,0|2,0,0]=4 4364 B14R1.540 CCN(CCC(C)C)c1ccccc1 269982a_100000210013_100000210312 [0,1,0,0,1,0|2,0,0]=4 4365 B14R1.540 CCN(CCC(C)C)c1ccccc1 34a_100000210013_100000210312 [0,1,0,0,1,0|2,0,0]=4 4366 B14R1.540 CNC(CCC(C)C)c1ccccc1 269862a_106832991636_200011267664 [0,1,0,0,1,0|1,0,1]=4 4367 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000730704 [0,1,0,0,1,0|0,0,2]=4 4368 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000730704 [0,1,0,0,1,0|0,0,2]=4 4369 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000730704 [0,1,0,0,1,0|0,0,2]=4 4370 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000730704 [0,1,0,0,1,0|0,0,2]=4 4371 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000730704 [0,1,0,0,1,0|0,0,2]=4 4372 B14R1.678 C=C(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000730704 [0,1,0,0,1,0|0,0,2]=4 4373 B14R1.678 CC(=CCC(=O)c1ccc(cc1)Br)C 1458a_100000185839_100000761012 [0,1,0,0,1,0|0,0,2]=4 4374 B14R1.678 CC(=CCC(=O)c1ccc(cc1)C)C 1458a_100000188618_100000761012 [0,1,0,0,1,0|0,0,2]=4 4375 B14R1.678 CC(=CCC(=O)c1ccc(cc1)Cl)C 1458a_100000210187_100000761012 [0,1,0,0,1,0|0,0,2]=4 4376 B14R1.678 CC(=CCC(=O)c1ccc(cc1)F)C 1458a_100000187176_100000761012 [0,1,0,0,1,0|0,0,2]=4 4377 B14R1.678 CC(=CCC(=O)c1ccc(cc1)I)C 1458a_100000187904_100000761012 [0,1,0,0,1,0|0,0,2]=4 4378 B14R1.678 CC(=CCC(=O)c1ccc(cc1)O)C 1458a_100000212099_100000761012 [0,1,0,0,1,0|0,0,2]=4 4379 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000070787_100000701375 [0,1,0,0,1,0|1,0,1]=4 4380 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211231 [0,1,0,0,1,0|1,0,1]=4 4381 B14R1.678 CC(=O)COC(=O)c1ccc(cc1)O 271570a_203496583355_200027936475 [0,1,0,0,1,0|1,0,1]=4 4382 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210312 [0,1,0,0,1,0|0,0,0]=2 4383 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210312 [0,1,0,0,1,0|0,0,0]=2 4384 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210312 [0,1,0,0,1,0|0,0,0]=2 4385 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210312 [0,1,0,0,1,0|0,0,0]=2 4386 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210312 [0,1,0,0,1,0|0,0,0]=2 4387 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210312 [0,1,0,0,1,0|2,0,0]=4 4388 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210312 [0,1,0,0,1,0|2,0,0]=4 4389 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210312 [0,1,0,0,1,0|2,0,0]=4 4390 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210312 [0,1,0,0,1,0|2,0,0]=4 4391 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210312 [0,1,0,0,1,0|2,0,0]=4 4392 B14R1.678 CC(C)CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210312 [0,1,0,0,1,0|2,0,0]=4 4393 B14R1.678 CC(C)CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210312 [0,1,0,0,1,0|2,0,0]=4 4394 B14R1.678 CC(C)CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210312 [0,1,0,0,1,0|2,0,0]=4 4395 B14R1.678 CC(C)CCN(C)c1ccc(cc1)F 34a_100000219829_100000210312 [0,1,0,0,1,0|2,0,0]=4 4396 B14R1.678 CC(C)CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210312 [0,1,0,0,1,0|2,0,0]=4 4397 B14R1.678 CC(C)CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210312 [0,1,0,0,1,0|2,0,0]=4 4398 B14R1.678 CC(C)CCN(C)c1ccc(cc1)I 34a_100000743151_100000210312 [0,1,0,0,1,0|2,0,0]=4 4399 B14R1.678 CC(C)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210312 [0,1,0,0,1,0|2,0,0]=4 4400 B14R1.678 CC(C)CCN(C)c1ccc(cc1)O 34a_100000182112_100000210312 [0,1,0,0,1,0|2,0,0]=4 4401 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 11a_100000210953_100000185839 [0,1,0,0,1,0|1,0,0]=3 4402 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 1626a_100000210953_100000185839 [0,1,0,0,1,0|1,0,0]=3 4403 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 240690a_100000210953_100000185839 [0,1,0,0,1,0|1,0,0]=3 4404 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 527a_100000210953_100000185839 [0,1,0,0,1,0|1,0,0]=3 4405 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 11a_100000210953_100000210187 [0,1,0,0,1,0|1,0,0]=3 4406 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 1626a_100000210953_100000210187 [0,1,0,0,1,0|1,0,0]=3 4407 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 240690a_100000210953_100000210187 [0,1,0,0,1,0|1,0,0]=3 4408 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 527a_100000210953_100000210187 [0,1,0,0,1,0|1,0,0]=3 4409 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 11a_100000210953_100000187176 [0,1,0,0,1,0|1,0,0]=3 4410 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 1626a_100000210953_100000187176 [0,1,0,0,1,0|1,0,0]=3 4411 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 240690a_100000210953_100000187176 [0,1,0,0,1,0|1,0,0]=3 4412 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 527a_100000210953_100000187176 [0,1,0,0,1,0|1,0,0]=3 4413 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 11a_100000210953_100000187904 [0,1,0,0,1,0|1,0,0]=3 4414 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 1626a_100000210953_100000187904 [0,1,0,0,1,0|1,0,0]=3 4415 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 240690a_100000210953_100000187904 [0,1,0,0,1,0|1,0,0]=3 4416 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 527a_100000210953_100000187904 [0,1,0,0,1,0|1,0,0]=3 4417 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 240690a_100000210953_100000212099 [0,1,0,0,1,0|1,0,0]=3 4418 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 271570a_203496583355_200000155730 [0,1,0,0,1,0|1,0,0]=3 4419 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 527a_100000210953_100000212099 [0,1,0,0,1,0|1,0,0]=3 4420 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000210257_100000755118 [0,1,0,0,1,0|1,0,1]=4 4421 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000745893_100000210624 [0,1,0,0,1,0|1,0,1]=4 4422 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 7a_100000745893_100000210760 [0,1,0,0,1,0|1,0,1]=4 4423 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000181323_100000210624 [0,1,0,0,1,0|1,0,1]=4 4424 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000210257_100000743420 [0,1,0,0,1,0|1,0,1]=4 4425 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 7a_100000181323_100000210760 [0,1,0,0,1,0|1,0,1]=4 4426 B14R1.678 CC(C)COC(C)c1ccc(cc1)N 34a_100011216399_100000210624 [0,1,0,0,1,0|1,0,1]=4 4427 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210624 [0,1,0,0,1,0|1,0,1]=4 4428 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210760 [0,1,0,0,1,0|1,0,1]=4 4429 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)Br 34a_100138425928_100000188085 [0,1,0,0,1,0|1,0,0]=3 4430 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)I 34a_100138425928_100011216261 [0,1,0,0,1,0|1,0,0]=3 4431 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)O 34a_100138425928_100009814261 [0,1,0,0,1,0|1,0,0]=3 4432 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Br 22a_100000741168_100000185839 [0,1,0,0,1,0|2,0,0]=4 4433 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Cl 22a_100000741168_100000210187 [0,1,0,0,1,0|2,0,0]=4 4434 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)F 22a_100000741168_100000187176 [0,1,0,0,1,0|2,0,0]=4 4435 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)I 22a_100000741168_100000187904 [0,1,0,0,1,0|2,0,0]=4 4436 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)O 22a_100000741168_100000212099 [0,1,0,0,1,0|2,0,0]=4 4437 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)Br 34a_100000212225_100000188085 [0,1,0,0,1,0|1,0,0]=3 4438 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)F 34a_100000246311_100000210206 [0,1,0,0,1,0|1,0,0]=3 4439 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)I 34a_100000212225_100011216261 [0,1,0,0,1,0|1,0,0]=3 4440 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)O 34a_100000212225_100009814261 [0,1,0,0,1,0|1,0,0]=3 4441 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210206 [0,1,0,0,1,0|1,0,0]=3 4442 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000210206_100000211071 [0,1,0,0,1,0|1,0,0]=3 4443 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210206 [0,1,0,0,1,0|1,0,0]=3 4444 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000210206_100000211279 [0,1,0,0,1,0|1,0,0]=3 4445 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000211279_100000210206 [0,1,0,0,1,0|1,0,0]=3 4446 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100000210206_100011216261 [0,1,0,0,1,0|1,0,0]=3 4447 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100011216261_100000210206 [0,1,0,0,1,0|1,0,0]=3 4448 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100000210206_100009814261 [0,1,0,0,1,0|1,0,0]=3 4449 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_100000210206 [0,1,0,0,1,0|1,0,0]=3 4450 B14R1.678 CC(C)SCC(=O)c1ccc(cn1)Cl 62a_100000210206_100016989621 [0,1,0,0,1,0|2,0,0]=4 4451 B14R1.678 CC(C)SCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210206 [0,1,0,0,1,0|2,0,0]=4 4452 B14R1.678 CC(C)SCC(=O)c1ccc(nc1)Cl 62a_100000210206_100009864725 [0,1,0,0,1,0|2,0,0]=4 4453 B14R1.678 CC(C)SCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210206 [0,1,0,0,1,0|2,0,0]=4 4454 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012276601 [0,1,0,0,1,0|1,0,0]=3 4455 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012276601 [0,1,0,0,1,0|1,0,0]=3 4456 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100012276601 [0,1,0,0,1,0|1,0,0]=3 4457 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100012276601 [0,1,0,0,1,0|1,0,0]=3 4458 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100012276601 [0,1,0,0,1,0|1,0,0]=3 4459 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 11a_100000210904_100000185839 [0,1,0,0,1,0|2,0,0]=4 4460 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 240690a_100000210904_100000185839 [0,1,0,0,1,0|2,0,0]=4 4461 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 527a_100000210904_100000185839 [0,1,0,0,1,0|2,0,0]=4 4462 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 11a_100000210904_100000210187 [0,1,0,0,1,0|2,0,0]=4 4463 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 240690a_100000210904_100000210187 [0,1,0,0,1,0|2,0,0]=4 4464 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 527a_100000210904_100000210187 [0,1,0,0,1,0|2,0,0]=4 4465 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 11a_100000210904_100000187176 [0,1,0,0,1,0|2,0,0]=4 4466 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 240690a_100000210904_100000187176 [0,1,0,0,1,0|2,0,0]=4 4467 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 527a_100000210904_100000187176 [0,1,0,0,1,0|2,0,0]=4 4468 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 11a_100000210904_100000187904 [0,1,0,0,1,0|2,0,0]=4 4469 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 240690a_100000210904_100000187904 [0,1,0,0,1,0|2,0,0]=4 4470 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 527a_100000210904_100000187904 [0,1,0,0,1,0|2,0,0]=4 4471 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 240690a_100000210904_100000212099 [0,1,0,0,1,0|2,0,0]=4 4472 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 527a_100000210904_100000212099 [0,1,0,0,1,0|2,0,0]=4 4473 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Br 269982a_100102631434_100011215963 [0,1,0,0,1,0|1,0,0]=3 4474 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Cl 269982a_100102631434_100011216492 [0,1,0,0,1,0|1,0,0]=3 4475 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 2230a_100102631434_100000211231 [0,1,0,0,1,0|1,0,0]=3 4476 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 269982a_100102631434_100000211231 [0,1,0,0,1,0|1,0,0]=3 4477 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 2230a_100102631434_100009879949 [0,1,0,0,1,0|1,0,0]=3 4478 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 269982a_100102631434_100009879949 [0,1,0,0,1,0|1,0,0]=3 4479 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 271570a_203496583355_200102510076 [0,1,0,0,1,0|1,0,0]=3 4480 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)C 1458a_100000188618_100000210312 [0,1,0,0,1,0|0,0,0]=2 4481 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)O 1458a_100000188618_100012276601 [0,1,0,0,1,0|1,0,0]=3 4482 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 2230a_100102631434_100000701375 [0,1,0,0,1,0|1,0,0]=3 4483 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 269982a_100102631434_100000701375 [0,1,0,0,1,0|1,0,0]=3 4484 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 2230a_100138425928_100000211441 [0,1,0,0,1,0|1,0,0]=3 4485 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 34a_100138425928_100000211441 [0,1,0,0,1,0|1,0,0]=3 4486 B14R1.678 Cc1ccc(cc1)C(=O)COC(C)C 34a_100000212225_100000211441 [0,1,0,0,1,0|1,0,0]=3 4487 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000210206_100000211441 [0,1,0,0,1,0|1,0,0]=3 4488 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000211441_100000210206 [0,1,0,0,1,0|1,0,0]=3 4489 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 11a_100000210953_100000188618 [0,1,0,0,1,0|1,0,0]=3 4490 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 1626a_100000210953_100000188618 [0,1,0,0,1,0|1,0,0]=3 4491 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 240690a_100000210953_100000188618 [0,1,0,0,1,0|1,0,0]=3 4492 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 527a_100000210953_100000188618 [0,1,0,0,1,0|1,0,0]=3 4493 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 11a_100000210904_100000188618 [0,1,0,0,1,0|2,0,0]=4 4494 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 240690a_100000210904_100000188618 [0,1,0,0,1,0|2,0,0]=4 4495 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 527a_100000210904_100000188618 [0,1,0,0,1,0|2,0,0]=4 4496 B14R1.678 Cc1ccc(cc1)C(=O)NNC(C)C 22a_100000741168_100000188618 [0,1,0,0,1,0|2,0,0]=4 4497 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)C 34a_100000210257_100011261388 [0,1,0,0,1,0|1,0,1]=4 4498 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 2230a_100000219977_100000210312 [0,1,0,0,1,0|2,0,0]=4 4499 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 269982a_100000219977_100000210312 [0,1,0,0,1,0|2,0,0]=4 4500 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 34a_100000219977_100000210312 [0,1,0,0,1,0|2,0,0]=4 4501 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 34a_100000690690_100000210624 [0,1,0,0,1,0|1,0,1]=4 4502 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 7a_100000690690_100000210760 [0,1,0,0,1,0|1,0,1]=4 4503 B14R1.678 Cc1ccc(cn1)C(=O)CSC(C)C 62a_100000210206_100012027583 [0,1,0,0,1,0|2,0,0]=4 4504 B14R1.678 Cc1ccc(cn1)C(=O)CSC(C)C 62a_100012027583_100000210206 [0,1,0,0,1,0|2,0,0]=4 4505 B14R1.678 [2H]C(OCC(C)C)c1ccc(cc1)F 34a_217856618577_100000210624 [0,1,0,0,1,0|1,0,1]=4 4506 B14R1.678 [2H]C(OCC(C)C)c1ccc(cc1)F 7a_217856618577_100000210760 [0,1,0,0,1,0|1,0,1]=4 4507 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 270084a_100000210953_100000210345 [0,1,0,0,1,0|2,0,0]=4 4508 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 274078a_100000210953_100000210345 [0,1,0,0,1,0|2,0,0]=4 4509 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 40a_100000210953_100000032697 [0,1,0,0,1,0|2,0,0]=4 4510 B14R1.813 CC(C)COC(C)(C)c1ccccc1 7a_100000694644_100000210760 [0,1,0,0,1,0|1,0,1]=4 4511 B14R1.813 CC(C)NCS(=O)(=O)c1ccccc1 34a_100138425928_200009813291 [0,1,0,0,1,0|2,0,0]=4 4512 B14R1.813 CC(C)OCS(=O)(=O)c1ccccc1 34a_100000212225_200009813291 [0,1,0,0,1,0|2,0,0]=4 4513 B14R1.813 CC(C)SCS(=O)(=O)c1ccccc1 62a_100000210206_100000240042 [0,1,0,0,1,0|2,0,0]=4 4514 B14R1.813 CC(C)SCS(=O)(=O)c1ccccc1 62a_100000240042_100000210206 [0,1,0,0,1,0|2,0,0]=4 4515 B14R1.813 CN(C)CCS(=O)(=O)c1ccccc1 2230a_100102631434_100000229977 [0,1,0,0,1,0|2,0,0]=4 4516 B14R1.813 CN(C)CCS(=O)(=O)c1ccccc1 2230a_103496528835_200000210301 [0,1,0,0,1,0|2,0,0]=4 4517 B14R1.813 CN(C)CCS(=O)(=O)c1ccccc1 269982a_100102631434_100000229977 [0,1,0,0,1,0|2,0,0]=4 4518 B14R1.813 CN(C)CCS(=O)(=O)c1ccccc1 269982a_103496528835_200000210301 [0,1,0,0,1,0|2,0,0]=4 4519 B14R1.813 CN(C)CCS(=O)(=O)c1ccccc1 34a_103496528835_200000210301 [0,1,0,0,1,0|2,0,0]=4 4520 B14R1.813 CN([13CH3])CCS(=O)(=O)c1ccccc1 2230a_103496528835_200025704644 [0,1,0,0,1,0|2,0,0]=4 4521 B14R1.813 CN([13CH3])CCS(=O)(=O)c1ccccc1 269982a_103496528835_200025704644 [0,1,0,0,1,0|2,0,0]=4 4522 B14R1.813 CN([13CH3])CCS(=O)(=O)c1ccccc1 34a_103496528835_200025704644 [0,1,0,0,1,0|2,0,0]=4 4523 B14R1.3098 CC(C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000755188 [0,1,0,0,1,0|0,0,0]=2 4524 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 11a_100000743828_100000185807 [0,1,0,0,1,0|1,0,0]=3 4525 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 1626a_100000743828_100000185807 [0,1,0,0,1,0|1,0,0]=3 4526 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 240690a_100000743828_100000185807 [0,1,0,0,1,0|1,0,0]=3 4527 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 527a_100000743828_100000185807 [0,1,0,0,1,0|1,0,0]=3 4528 B14R1.3098 CC(C)(C)NNC(=O)c1ccccc1 22a_100000725372_100000185807 [0,1,0,0,1,0|2,0,0]=4 4529 B14R1.3098 CC(C)(C)OCC(=O)c1ccccc1 7a_100015890283_100000211460 [0,1,0,0,1,0|1,0,0]=3 4530 B14R1.3098 CC(C)(C)OCC(=O)c1ccccn1 34a_100015890283_100000027445 [0,1,0,0,1,0|2,0,0]=4 4531 B14R1.3098 CC(C)(C)OCC(=O)c1ccccn1 7a_100015890283_100000027445 [0,1,0,0,1,0|2,0,0]=4 4532 B14R1.3098 CC(C)(C)OCC(=O)c1ccncc1 7a_100015890283_100015248511 [0,1,0,0,1,0|2,0,0]=4 4533 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000211941 [0,1,0,0,1,0|1,0,0]=3 4534 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211941_100000211460 [0,1,0,0,1,0|1,0,0]=3 4535 B14R1.3098 CC(C)(C)SCC(=O)c1ccccn1 62a_100000027445_100000211941 [0,1,0,0,1,0|2,0,0]=4 4536 B14R1.3098 CC(C)(C)SCC(=O)c1ccccn1 62a_100000211941_100000027445 [0,1,0,0,1,0|2,0,0]=4 4537 B14R1.3098 CC(C)(C)SCC(=O)c1cccnc1 62a_100000211941_100000757877 [0,1,0,0,1,0|2,0,0]=4 4538 B14R1.3098 CC(C)(C)SCC(=O)c1cccnc1 62a_100000757877_100000211941 [0,1,0,0,1,0|2,0,0]=4 4539 B14R1.3098 CC(C)(C)SCC(=O)c1ccncc1 62a_100000027454_100000211941 [0,1,0,0,1,0|2,0,0]=4 4540 B14R1.3098 CC(C)(C)SCC(=O)c1ccncc1 62a_100000211941_100000027454 [0,1,0,0,1,0|2,0,0]=4 4541 B14R1.3098 CC(C)(C)SCS(=O)c1ccccc1 62a_100000211941_100000031784 [0,1,0,0,1,0|2,0,0]=4 4542 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 11a_100020643315_100000185807 [0,1,0,0,1,0|1,0,0]=3 4543 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 1626a_100020643315_100000185807 [0,1,0,0,1,0|1,0,0]=3 4544 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 240690a_100020643315_100000185807 [0,1,0,0,1,0|1,0,0]=3 4545 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 527a_100020643315_100000185807 [0,1,0,0,1,0|1,0,0]=3 4546 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 1626a_100000751335_100000185807 [0,1,0,0,1,0|1,0,0]=3 4547 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 240690a_100000751335_100000185807 [0,1,0,0,1,0|1,0,0]=3 4548 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 527a_100000751335_100000185807 [0,1,0,0,1,0|1,0,0]=3 4549 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 11a_100000731000_100000185807 [0,1,0,0,1,0|2,0,0]=4 4550 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 1626a_100000731000_100000185807 [0,1,0,0,1,0|2,0,0]=4 4551 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 240690a_100000731000_100000185807 [0,1,0,0,1,0|2,0,0]=4 4552 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 527a_100000731000_100000185807 [0,1,0,0,1,0|2,0,0]=4 4553 B14R1.3098 CC(OCC(C)(C)F)c1ccccc1 34a_100000716592_100000211855 [0,1,0,0,1,0|1,0,1]=4 4554 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 2230a_100000210012_100000755188 [0,1,0,0,1,0|2,0,0]=4 4555 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 269982a_100000210012_100000755188 [0,1,0,0,1,0|2,0,0]=4 4556 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 34a_100000210012_100000755188 [0,1,0,0,1,0|2,0,0]=4 4557 B14R1.3098 CN(CCC(C)(C)O)c1ccccc1 2230a_100000210012_100000702414 [0,1,0,0,1,0|2,0,0]=4 4558 B14R1.3098 CN(CCC(C)(C)O)c1ccccc1 34a_100000210012_100000702414 [0,1,0,0,1,0|2,0,0]=4 4559 B14R1.3098 CS(=O)(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000731031 [0,1,0,0,1,0|2,0,0]=4 4560 B14R1.3098 C[C@@H](OCC(C)(C)C)c1ccccc1 34a_100000761318_100011219605 [0,1,0,0,1,0|1,0,1]=4 4561 B14R1.3098 C[C@@H](OCC(C)(C)F)c1ccccc1 34a_100000761318_100011997219 [0,1,0,0,1,0|1,0,1]=4 4562 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 34a_100000761318_100000764493 [0,1,0,0,1,0|1,0,1]=4 4563 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 7a_100000761318_100000764493 [0,1,0,0,1,0|1,0,1]=4 4564 B14R1.3098 C[N+](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000085578 [0,1,0,0,1,0|1,0,0]=3 4565 B14R1.3098 C[Si](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_200000733723 [0,1,0,0,1,0|0,1,0]=3 4566 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 11a_102516607284_100000185807 [0,1,0,0,1,0|1,1,0]=4 4567 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 1626a_102516607284_100000185807 [0,1,0,0,1,0|1,1,0]=4 4568 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 240690a_102516607284_100000185807 [0,1,0,0,1,0|1,1,0]=4 4569 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 527a_102516607284_100000185807 [0,1,0,0,1,0|1,1,0]=4 4570 B14R1.3098 O=C(CCC(F)(F)F)c1ccccc1 1458a_100000185807_100011219754 [0,1,0,0,1,0|2,0,0]=4 4571 B16R1.612 C=C(C)CN(C)COC(=O)c1ccccc1 269982a_100000225649_100000073877 [0,1,0,0,0,1|0,0,2]=4 4572 B16R1.612 CC(=CC(=O)COC(=O)c1ccccc1)C 1458a_100000211388_100000073877 [0,1,0,0,0,1|0,0,2]=4 4573 B16R1.612 CC(C)CC(=O)CCC(=O)c1ccccc1 1458a_100000210554_100000750707 [0,1,0,0,0,1|1,0,0]=3 4574 B16R1.612 CC(C)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210624 [0,1,0,0,0,1|1,0,0]=3 4575 B16R1.612 CC(C)CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210624 [0,1,0,0,0,1|2,0,0]=4 4576 B16R1.612 CC(C)CC(=O)COC(=O)c1ccccc1 1458a_100000210554_100000073877 [0,1,0,0,0,1|0,0,0]=2 4577 B16R1.612 CC(C)CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210624 [0,1,0,0,0,1|0,2,0]=4 4578 B16R1.612 CC(C)CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210554 [0,1,0,0,0,1|1,0,1]=4 4579 B16R1.612 CC(C)CC(=O)NNC(=O)c1ccccc1 22a_100000189787_100000185807 [0,1,0,0,0,1|1,0,1]=4 4580 B16R1.612 CC(C)CC(C)OCC(=O)c1ccccc1 7a_100000211805_100000211460 [0,1,0,0,0,1|0,0,0]=2 4581 B16R1.612 CC(C)CC(C)OCC(=O)c1ccccn1 34a_100000211805_100000027445 [0,1,0,0,0,1|1,0,0]=3 4582 B16R1.612 CC(C)CC(C)OCC(=O)c1ccccn1 7a_100000211805_100000027445 [0,1,0,0,0,1|1,0,0]=3 4583 B16R1.612 CC(C)CC(C)OCC(=O)c1ccncc1 7a_100000211805_100015248511 [0,1,0,0,0,1|1,0,0]=3 4584 B16R1.612 CC(C)CC(C)OCC(C)c1ccccc1 34a_100000211805_100000756946 [0,1,0,0,0,1|1,0,1]=4 4585 B16R1.612 CC(C)CC(C)OCC(C)c1ccccc1 34a_100011215166_100000731052 [0,1,0,0,0,1|1,0,1]=4 4586 B16R1.612 CC(C)CC(C)OCC(C)c1ccccc1 7a_100000211805_100000756946 [0,1,0,0,0,1|1,0,1]=4 4587 B16R1.612 CC(C)CC(C)OCC(C)c1ccccc1 7a_100011215166_100000731052 [0,1,0,0,0,1|1,0,1]=4 4588 B16R1.612 CC(C)CC(C)OCC(O)c1ccccc1 34a_100000211805_100000185958 [0,1,0,0,0,1|0,0,2]=4 4589 B16R1.612 CC(C)CC(C)OCC(O)c1ccccc1 7a_100000211805_100000185958 [0,1,0,0,0,1|0,0,2]=4 4590 B16R1.612 CC(C)CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000731052 [0,1,0,0,0,1|1,0,1]=4 4591 B16R1.612 CC(C)CC(C)OC[C@@H](O)c1ccccc1 34a_100000211805_100011933945 [0,1,0,0,0,1|0,0,2]=4 4592 B16R1.612 CC(C)CC(C)OC[C@@H](O)c1ccccc1 7a_100000211805_100011933945 [0,1,0,0,0,1|0,0,2]=4 4593 B16R1.612 CC(C)CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000731052 [0,1,0,0,0,1|0,1,0]=3 4594 B16R1.612 CC(C)CC(C)SCC(=O)c1ccccc1 62a_100000731052_100000211460 [0,1,0,0,0,1|0,1,0]=3 4595 B16R1.612 CC(C)CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000731052 [0,1,0,0,0,1|1,1,0]=4 4596 B16R1.612 CC(C)CC(C)SCC(=O)c1ccccn1 62a_100000731052_100000027445 [0,1,0,0,0,1|1,1,0]=4 4597 B16R1.612 CC(C)CC(C)SCC(=O)c1cccnc1 62a_100000731052_100000757877 [0,1,0,0,0,1|1,1,0]=4 4598 B16R1.612 CC(C)CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000731052 [0,1,0,0,0,1|1,1,0]=4 4599 B16R1.612 CC(C)CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000731052 [0,1,0,0,0,1|1,1,0]=4 4600 B16R1.612 CC(C)CC(C)SCC(=O)c1ccncc1 62a_100000731052_100000027454 [0,1,0,0,0,1|1,1,0]=4 4601 B16R1.612 CC(C)CC(C)SCS(=O)c1ccccc1 62a_100000731052_100000031784 [0,1,0,0,0,1|1,1,0]=4 4602 B16R1.612 CC(C)CN(C)CCC(=O)c1ccccc1 2230a_100000747067_100000750707 [0,1,0,0,0,1|1,0,0]=3 4603 B16R1.612 CC(C)CN(C)CCC(=O)c1ccccc1 269982a_100000747067_100000750707 [0,1,0,0,0,1|1,0,0]=3 4604 B16R1.612 CC(C)CN(C)CCS(=O)c1ccccc1 2230a_100000747067_100000740319 [0,1,0,0,0,1|2,0,0]=4 4605 B16R1.612 CC(C)CN(C)CCS(=O)c1ccccc1 269982a_100000747067_100000740319 [0,1,0,0,0,1|2,0,0]=4 4606 B16R1.612 CC(C)CN(C)COC(=O)c1ccccc1 269982a_100000747067_100000073877 [0,1,0,0,0,1|0,0,0]=2 4607 B16R1.612 CC(C)C[C@H](N)COC(C)c1ccccc1 34a_100011830311_100000211855 [0,1,0,0,0,1|1,0,1]=4 4608 B16R1.612 CC(C)NC(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000737564 [0,1,0,0,0,1|1,0,1]=4 4609 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 11a_100000168517_100000185807 [0,1,0,0,0,1|1,0,1]=4 4610 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 11a_100138425928_100000182045 [0,1,0,0,0,1|1,0,1]=4 4611 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 1626a_100000168517_100000185807 [0,1,0,0,0,1|1,0,1]=4 4612 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 1626a_100138425928_100000182045 [0,1,0,0,0,1|1,0,1]=4 4613 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 240690a_100000168517_100000185807 [0,1,0,0,0,1|1,0,1]=4 4614 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 240690a_100138425928_100000182045 [0,1,0,0,0,1|1,0,1]=4 4615 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 527a_100000168517_100000185807 [0,1,0,0,0,1|1,0,1]=4 4616 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 527a_100138425928_100000182045 [0,1,0,0,0,1|1,0,1]=4 4617 B16R1.612 CC(C)OC(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000760027 [0,1,0,0,0,1|1,0,1]=4 4618 B16R1.612 CC(C)OC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000003507 [0,1,0,0,0,1|1,0,1]=4 4619 B16R1.612 CC(C)OC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210206 [0,1,0,0,0,1|1,0,0]=3 4620 B16R1.612 CC(CN(C)C)SCC(=O)c1ccccc1 62a_100000211460_100020606517 [0,1,0,0,0,1|1,1,0]=4 4621 B16R1.612 CC(CN(C)C)SCC(=O)c1ccccc1 62a_100020606517_100000211460 [0,1,0,0,0,1|1,1,0]=4 4622 B16R1.612 CC(O)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011218427 [0,1,0,0,0,1|2,0,0]=4 4623 B16R1.612 CC(O)CN(C)CCC(=O)c1ccccc1 2230a_100000227577_100000750707 [0,1,0,0,0,1|2,0,0]=4 4624 B16R1.612 CC(O)CN(C)CCC(=O)c1ccccc1 269982a_100000227577_100000750707 [0,1,0,0,0,1|2,0,0]=4 4625 B16R1.612 CC(O)CN(C)COC(=O)c1ccccc1 269982a_100000227577_100000073877 [0,1,0,0,0,1|1,0,0]=3 4626 B16R1.612 CN(C)CC(=O)CCC(=O)c1ccccc1 1458a_100000750896_100000750707 [0,1,0,0,0,1|2,0,0]=4 4627 B16R1.612 CN(C)CC(=O)COC(=O)c1ccccc1 1458a_100000750896_100000073877 [0,1,0,0,0,1|1,0,0]=3 4628 B16R1.612 CN(C)CC(O)CNC(=O)c1ccccc1 240690a_100000737402_100000185807 [0,1,0,0,0,1|2,0,0]=4 4629 B16R1.612 CN(C)CC(O)CNC(=O)c1ccccc1 527a_100000737402_100000185807 [0,1,0,0,0,1|2,0,0]=4 4630 B16R1.612 C[C@@H](O)CC(=O)CCC(=O)c1ccccc1 1458a_100011933948_100000750707 [0,1,0,0,0,1|2,0,0]=4 4631 B16R1.612 C[C@@H](O)CC(=O)COC(=O)c1ccccc1 1458a_100011933948_100000073877 [0,1,0,0,0,1|1,0,0]=3 4632 B16R1.612 C[S+](C)CC(=O)CCC(=O)c1ccccc1 1458a_200159257847_100000750707 [0,1,0,0,0,1|2,0,0]=4 4633 B16R1.612 C[S+](C)CC(=O)COC(=O)c1ccccc1 1458a_200159257847_100000073877 [0,1,0,0,0,1|1,0,0]=3 4634 B16R1.613 C=C(C(=O)CCCC(C)C)c1ccccc1 1458a_100000065200_100011214892 [0,1,0,0,0,1|2,0,0]=4 4635 B16R1.613 C=C(C(=O)CCOC(C)C)c1ccccc1 1458a_100000065200_100000211751 [0,1,0,0,0,1|2,0,0]=4 4636 B16R1.613 C=C(C(=O)CCSC(C)C)c1ccccc1 1458a_100000065200_100000730970 [0,1,0,0,0,1|2,0,0]=4 4637 B16R1.613 C=C(C(=O)NCCC(C)C)c1ccccc1 1626a_100000210545_100000065200 [0,1,0,0,0,1|2,0,0]=4 4638 B16R1.613 CC(=O)CCOC(C)C(=O)c1ccccc1 7a_100000759926_100000239700 [0,1,0,0,0,1|1,0,1]=4 4639 B16R1.613 CC(C)CCOC(C)C(=O)c1ccccc1 7a_100000210254_100000239700 [0,1,0,0,0,1|0,0,0]=2 4640 B16R1.613 CC(C)CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210312 [0,1,0,0,0,1|1,0,1]=4 4641 B16R1.613 CC(C)CCSC(C)C(=O)c1ccccc1 62a_100000210312_100000239700 [0,1,0,0,0,1|0,1,0]=3 4642 B16R1.613 CC(C)CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210312 [0,1,0,0,0,1|0,1,0]=3 4643 B16R1.613 CC(C)OCSC(C)C(=O)c1ccccc1 62a_100000239700_100000709892 [0,1,0,0,0,1|1,1,0]=4 4644 B16R1.613 CC(C)OCSC(C)C(=O)c1ccccc1 62a_100000709892_100000239700 [0,1,0,0,0,1|1,1,0]=4 4645 B16R1.613 CC(O)CCNC(C)C(=O)c1ccccc1 2230a_200000755665_100000239700 [0,1,0,0,0,1|2,0,0]=4 4646 B16R1.613 CC(O)CCSC(C)C(=O)c1ccccc1 62a_100000239700_100012276601 [0,1,0,0,0,1|1,1,0]=4 4647 B16R1.613 CC(O)CCSC(C)C(=O)c1ccccc1 62a_100012276601_100000239700 [0,1,0,0,0,1|1,1,0]=4 4648 B16R1.613 CC(SCCN(C)C)C(=O)c1ccccc1 62a_100000239700_100000755713 [0,1,0,0,0,1|1,1,0]=4 4649 B16R1.613 CN(C)CCCN(C)C(=O)c1ccccc1 240690a_100000225831_100000185807 [0,1,0,0,0,1|2,0,0]=4 4650 B16R1.1026 C=C(C)CCOCC(=O)c1ccc(cc1)Br 34a_100000764851_100000188085 [0,1,0,0,0,1|0,0,2]=4 4651 B16R1.1026 C=C(C)CCOCC(=O)c1ccc(cc1)C 34a_100000764851_100000211441 [0,1,0,0,0,1|0,0,2]=4 4652 B16R1.1026 C=C(C)CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000730704 [0,1,0,0,0,1|0,0,2]=4 4653 B16R1.1026 C=C(C)CCOCC(=O)c1ccc(cc1)I 34a_100000764851_100011216261 [0,1,0,0,0,1|0,0,2]=4 4654 B16R1.1026 C=C(C)CCOCC(=O)c1ccc(cc1)O 34a_100000764851_100009814261 [0,1,0,0,0,1|0,0,2]=4 4655 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)Br)C 34a_100000753907_100000188085 [0,1,0,0,0,1|0,0,2]=4 4656 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)C)C 34a_100000753907_100000211441 [0,1,0,0,0,1|0,0,2]=4 4657 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)F)C 34a_100000246311_100000761012 [0,1,0,0,0,1|0,0,2]=4 4658 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)I)C 34a_100000753907_100011216261 [0,1,0,0,0,1|0,0,2]=4 4659 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)O)C 34a_100000753907_100009814261 [0,1,0,0,0,1|0,0,2]=4 4660 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)Br 34a_100000759926_100000188085 [0,1,0,0,0,1|1,0,1]=4 4661 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)Br 7a_100000759926_100000188085 [0,1,0,0,0,1|1,0,1]=4 4662 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)C 34a_100000759926_100000211441 [0,1,0,0,0,1|1,0,1]=4 4663 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)C 7a_100000759926_100000211441 [0,1,0,0,0,1|1,0,1]=4 4664 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)Cl 7a_100000759926_100000211071 [0,1,0,0,0,1|1,0,1]=4 4665 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)F 7a_100000759926_100000211279 [0,1,0,0,0,1|1,0,1]=4 4666 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)I 34a_100000759926_100011216261 [0,1,0,0,0,1|1,0,1]=4 4667 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)I 7a_100000759926_100011216261 [0,1,0,0,0,1|1,0,1]=4 4668 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)O 34a_100000759926_100009814261 [0,1,0,0,0,1|1,0,1]=4 4669 B16R1.1026 CC(=O)CCOCC(=O)c1ccc(cc1)O 7a_100000759926_100000018856 [0,1,0,0,0,1|1,0,1]=4 4670 B16R1.1026 CC(Br)CCOCC(=O)c1ccc(cc1)Br 34a_100009893172_100000188085 [0,1,0,0,0,1|1,0,0]=3 4671 B16R1.1026 CC(Br)CCOCC(=O)c1ccc(cc1)I 34a_100009893172_100011216261 [0,1,0,0,0,1|1,0,0]=3 4672 B16R1.1026 CC(Br)CCOCC(=O)c1ccc(cc1)O 34a_100009893172_100009814261 [0,1,0,0,0,1|1,0,0]=3 4673 B16R1.1026 CC(C)CC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000185833 [0,1,0,0,0,1|1,0,1]=4 4674 B16R1.1026 CC(C)CC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000185833 [0,1,0,0,0,1|1,0,1]=4 4675 B16R1.1026 CC(C)CC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000185833 [0,1,0,0,0,1|1,0,1]=4 4676 B16R1.1026 CC(C)CC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000185833 [0,1,0,0,0,1|1,0,1]=4 4677 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011216152 [0,1,0,0,0,1|1,0,0]=3 4678 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011216152 [0,1,0,0,0,1|1,0,0]=3 4679 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011216152 [0,1,0,0,0,1|1,0,0]=3 4680 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011216152 [0,1,0,0,0,1|1,0,0]=3 4681 B16R1.1026 CC(C)CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011216152 [0,1,0,0,0,1|1,0,0]=3 4682 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Br 11a_200000737386_100000185839 [0,1,0,0,0,1|1,0,0]=3 4683 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Br 1626a_200000737386_100000185839 [0,1,0,0,0,1|1,0,0]=3 4684 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Br 240690a_200000737386_100000185839 [0,1,0,0,0,1|1,0,0]=3 4685 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Br 527a_200000737386_100000185839 [0,1,0,0,0,1|1,0,0]=3 4686 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Cl 11a_200000737386_100000210187 [0,1,0,0,0,1|1,0,0]=3 4687 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Cl 1626a_200000737386_100000210187 [0,1,0,0,0,1|1,0,0]=3 4688 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Cl 240690a_200000737386_100000210187 [0,1,0,0,0,1|1,0,0]=3 4689 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)Cl 527a_200000737386_100000210187 [0,1,0,0,0,1|1,0,0]=3 4690 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)F 11a_200000737386_100000187176 [0,1,0,0,0,1|1,0,0]=3 4691 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)F 1626a_200000737386_100000187176 [0,1,0,0,0,1|1,0,0]=3 4692 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)F 240690a_200000737386_100000187176 [0,1,0,0,0,1|1,0,0]=3 4693 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)F 527a_200000737386_100000187176 [0,1,0,0,0,1|1,0,0]=3 4694 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)I 11a_200000737386_100000187904 [0,1,0,0,0,1|1,0,0]=3 4695 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)I 1626a_200000737386_100000187904 [0,1,0,0,0,1|1,0,0]=3 4696 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)I 240690a_200000737386_100000187904 [0,1,0,0,0,1|1,0,0]=3 4697 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)I 527a_200000737386_100000187904 [0,1,0,0,0,1|1,0,0]=3 4698 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)O 240690a_200000737386_100000212099 [0,1,0,0,0,1|1,0,0]=3 4699 B16R1.1026 CC(C)CCCNC(=O)c1ccc(cc1)O 527a_200000737386_100000212099 [0,1,0,0,0,1|1,0,0]=3 4700 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)Br 34a_100000210774_100000755118 [0,1,0,0,0,1|1,0,1]=4 4701 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100011214892 [0,1,0,0,0,1|1,0,1]=4 4702 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100011214892 [0,1,0,0,0,1|1,0,1]=4 4703 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)Cl 7a_100000210774_100000684792 [0,1,0,0,0,1|1,0,1]=4 4704 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)F 34a_100000181323_100011214892 [0,1,0,0,0,1|1,0,1]=4 4705 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)F 34a_100000210774_100000743420 [0,1,0,0,0,1|1,0,1]=4 4706 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)F 7a_100000181323_100011214892 [0,1,0,0,0,1|1,0,1]=4 4707 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)F 7a_100000210774_100000743420 [0,1,0,0,0,1|1,0,1]=4 4708 B16R1.1026 CC(C)CCCOC(C)c1ccc(cc1)N 34a_100011216399_100011214892 [0,1,0,0,0,1|1,0,1]=4 4709 B16R1.1026 CC(C)CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011214892 [0,1,0,0,0,1|1,0,1]=4 4710 B16R1.1026 CC(C)CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011214892 [0,1,0,0,0,1|1,0,1]=4 4711 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)Br 34a_100000210254_100000188085 [0,1,0,0,0,1|0,0,0]=2 4712 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)Br 7a_100000210254_100000188085 [0,1,0,0,0,1|0,0,0]=2 4713 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)Cl 7a_100000210254_100000211071 [0,1,0,0,0,1|0,0,0]=2 4714 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210312 [0,1,0,0,0,1|0,0,0]=2 4715 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)F 7a_100000210254_100000211279 [0,1,0,0,0,1|0,0,0]=2 4716 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)I 34a_100000210254_100011216261 [0,1,0,0,0,1|0,0,0]=2 4717 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)I 7a_100000210254_100011216261 [0,1,0,0,0,1|0,0,0]=2 4718 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)O 34a_100000210254_100009814261 [0,1,0,0,0,1|0,0,0]=2 4719 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cc1)O 7a_100000210254_100000018856 [0,1,0,0,0,1|0,0,0]=2 4720 B16R1.1026 CC(C)CCOCC(=O)c1ccc(cn1)Cl 7a_100000210254_100016989621 [0,1,0,0,0,1|1,0,0]=3 4721 B16R1.1026 CC(C)CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210312 [0,1,0,0,0,1|1,0,1]=4 4722 B16R1.1026 CC(C)CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210312 [0,1,0,0,0,1|1,0,1]=4 4723 B16R1.1026 CC(C)CCOCC(O)c1ccc(cc1)Cl 34a_100000210254_200011996143 [0,1,0,0,0,1|0,0,2]=4 4724 B16R1.1026 CC(C)CCOCC(O)c1ccc(cc1)Cl 7a_100000210254_200011996143 [0,1,0,0,0,1|0,0,2]=4 4725 B16R1.1026 CC(C)CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210312 [0,1,0,0,0,1|1,0,1]=4 4726 B16R1.1026 CC(C)CCOC[C@H](O)c1ccc(cc1)F 34a_100000210254_100000720402 [0,1,0,0,0,1|0,0,2]=4 4727 B16R1.1026 CC(C)CCOC[C@H](O)c1ccc(cc1)F 7a_100000210254_100000720402 [0,1,0,0,0,1|0,0,2]=4 4728 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210312 [0,1,0,0,0,1|0,1,0]=3 4729 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)Cl 62a_100000210312_100000211071 [0,1,0,0,0,1|0,1,0]=3 4730 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210312 [0,1,0,0,0,1|0,1,0]=3 4731 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)F 62a_100000210312_100000211279 [0,1,0,0,0,1|0,1,0]=3 4732 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210312 [0,1,0,0,0,1|0,1,0]=3 4733 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)I 62a_100000210312_100011216261 [0,1,0,0,0,1|0,1,0]=3 4734 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210312 [0,1,0,0,0,1|0,1,0]=3 4735 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)O 62a_100000210312_100009814261 [0,1,0,0,0,1|0,1,0]=3 4736 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210312 [0,1,0,0,0,1|0,1,0]=3 4737 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cn1)Cl 62a_100000210312_100016989621 [0,1,0,0,0,1|1,1,0]=4 4738 B16R1.1026 CC(C)CCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210312 [0,1,0,0,0,1|1,1,0]=4 4739 B16R1.1026 CC(C)CCSCC(=O)c1ccc(nc1)Cl 62a_100000210312_100009864725 [0,1,0,0,0,1|1,1,0]=4 4740 B16R1.1026 CC(C)CCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210312 [0,1,0,0,0,1|1,1,0]=4 4741 B16R1.1026 CC(C)CNCCC(=O)c1ccc(cc1)F 2230a_100000210953_100000211231 [0,1,0,0,0,1|1,0,0]=3 4742 B16R1.1026 CC(C)CNCCC(=O)c1ccc(cc1)O 2230a_100000210953_100009879949 [0,1,0,0,0,1|1,0,0]=3 4743 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)Br 62a_100000210624_100011215963 [0,1,0,0,0,1|1,0,0]=3 4744 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210760 [0,1,0,0,0,1|1,0,0]=3 4745 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)Cl 62a_100000210624_100011216492 [0,1,0,0,0,1|1,0,0]=3 4746 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210760 [0,1,0,0,0,1|1,0,0]=3 4747 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)F 62a_100000210624_100000211231 [0,1,0,0,0,1|1,0,0]=3 4748 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210760 [0,1,0,0,0,1|1,0,0]=3 4749 B16R1.1026 CC(C)CSCCC(=O)c1ccc(cc1)O 62a_100000210624_100009879949 [0,1,0,0,0,1|1,0,0]=3 4750 B16R1.1026 CC(C)NCCCC(=O)c1ccc(cc1)Br 2230a_100138425928_100000211046 [0,1,0,0,0,1|1,0,0]=3 4751 B16R1.1026 CC(C)NCCCC(=O)c1ccc(cc1)Br 34a_100138425928_100000211046 [0,1,0,0,0,1|1,0,0]=3 4752 B16R1.1026 CC(C)NCCCC(=O)c1ccc(cc1)F 2230a_100138425928_100000211961 [0,1,0,0,0,1|1,0,0]=3 4753 B16R1.1026 CC(C)NCCCC(=O)c1ccc(cc1)O 2230a_100138425928_100000039620 [0,1,0,0,0,1|1,0,0]=3 4754 B16R1.1026 CC(C)NCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210206 [0,1,0,0,0,1|1,0,0]=3 4755 B16R1.1026 CC(C)NCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210206 [0,1,0,0,0,1|1,0,0]=3 4756 B16R1.1026 CC(C)NCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210206 [0,1,0,0,0,1|1,0,0]=3 4757 B16R1.1026 CC(C)NCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210206 [0,1,0,0,0,1|1,0,0]=3 4758 B16R1.1026 CC(C)NCCOC(C)c1ccc(cc1)Br 34a_100000224655_100000755118 [0,1,0,0,0,1|1,0,1]=4 4759 B16R1.1026 CC(C)NCCOC(C)c1ccc(cc1)F 34a_100000224655_100000743420 [0,1,0,0,0,1|1,0,1]=4 4760 B16R1.1026 CC(C)OCCCC(=O)c1ccc(cc1)Br 34a_100000212225_100000211046 [0,1,0,0,0,1|1,0,0]=3 4761 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Br 11a_100000701111_100000185839 [0,1,0,0,0,1|1,0,0]=3 4762 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Br 1626a_100000701111_100000185839 [0,1,0,0,0,1|1,0,0]=3 4763 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Br 240690a_100000701111_100000185839 [0,1,0,0,0,1|1,0,0]=3 4764 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210206 [0,1,0,0,0,1|1,0,0]=3 4765 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Br 527a_100000701111_100000185839 [0,1,0,0,0,1|1,0,0]=3 4766 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Cl 11a_100000701111_100000210187 [0,1,0,0,0,1|1,0,0]=3 4767 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Cl 1626a_100000701111_100000210187 [0,1,0,0,0,1|1,0,0]=3 4768 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Cl 240690a_100000701111_100000210187 [0,1,0,0,0,1|1,0,0]=3 4769 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)Cl 527a_100000701111_100000210187 [0,1,0,0,0,1|1,0,0]=3 4770 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)F 11a_100000701111_100000187176 [0,1,0,0,0,1|1,0,0]=3 4771 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)F 1626a_100000701111_100000187176 [0,1,0,0,0,1|1,0,0]=3 4772 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)F 240690a_100000701111_100000187176 [0,1,0,0,0,1|1,0,0]=3 4773 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)F 527a_100000701111_100000187176 [0,1,0,0,0,1|1,0,0]=3 4774 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)I 11a_100000701111_100000187904 [0,1,0,0,0,1|1,0,0]=3 4775 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)I 1626a_100000701111_100000187904 [0,1,0,0,0,1|1,0,0]=3 4776 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)I 240690a_100000701111_100000187904 [0,1,0,0,0,1|1,0,0]=3 4777 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)I 527a_100000701111_100000187904 [0,1,0,0,0,1|1,0,0]=3 4778 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210206 [0,1,0,0,0,1|1,0,0]=3 4779 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)O 240690a_100000701111_100000212099 [0,1,0,0,0,1|1,0,0]=3 4780 B16R1.1026 CC(C)OCCNC(=O)c1ccc(cc1)O 527a_100000701111_100000212099 [0,1,0,0,0,1|1,0,0]=3 4781 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)Br 34a_100000211219_100000755118 [0,1,0,0,0,1|1,0,1]=4 4782 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000211751 [0,1,0,0,0,1|1,0,1]=4 4783 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000211751 [0,1,0,0,0,1|1,0,1]=4 4784 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)Cl 7a_100000211219_100000684792 [0,1,0,0,0,1|1,0,1]=4 4785 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)F 34a_100000181323_100000211751 [0,1,0,0,0,1|1,0,1]=4 4786 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)F 34a_100000211219_100000743420 [0,1,0,0,0,1|1,0,1]=4 4787 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)F 7a_100000181323_100000211751 [0,1,0,0,0,1|1,0,1]=4 4788 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)F 7a_100000211219_100000743420 [0,1,0,0,0,1|1,0,1]=4 4789 B16R1.1026 CC(C)OCCOC(C)c1ccc(cc1)N 34a_100011216399_100000211751 [0,1,0,0,0,1|1,0,1]=4 4790 B16R1.1026 CC(C)OCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000211751 [0,1,0,0,0,1|1,0,1]=4 4791 B16R1.1026 CC(C)OCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000211751 [0,1,0,0,0,1|1,0,1]=4 4792 B16R1.1026 CC(C)OCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000709892 [0,1,0,0,0,1|1,0,0]=3 4793 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000709892 [0,1,0,0,0,1|1,1,0]=4 4794 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000709892 [0,1,0,0,0,1|1,1,0]=4 4795 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)Cl 62a_100000709892_100000211071 [0,1,0,0,0,1|1,1,0]=4 4796 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000709892 [0,1,0,0,0,1|1,1,0]=4 4797 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)F 62a_100000709892_100000211279 [0,1,0,0,0,1|1,1,0]=4 4798 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)I 62a_100000709892_100011216261 [0,1,0,0,0,1|1,1,0]=4 4799 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000709892 [0,1,0,0,0,1|1,1,0]=4 4800 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)O 62a_100000709892_100009814261 [0,1,0,0,0,1|1,1,0]=4 4801 B16R1.1026 CC(C)OCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000709892 [0,1,0,0,0,1|1,1,0]=4 4802 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)Br 62a_100000210206_100000211046 [0,1,0,0,0,1|1,0,0]=3 4803 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210206 [0,1,0,0,0,1|1,0,0]=3 4804 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)Cl 62a_100000210206_200011217871 [0,1,0,0,0,1|1,0,0]=3 4805 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210206 [0,1,0,0,0,1|1,0,0]=3 4806 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)F 62a_100000210206_100000211961 [0,1,0,0,0,1|1,0,0]=3 4807 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210206 [0,1,0,0,0,1|1,0,0]=3 4808 B16R1.1026 CC(C)SCCCC(=O)c1ccc(cc1)O 62a_100000210206_100000039620 [0,1,0,0,0,1|1,0,0]=3 4809 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Br 11a_100000731138_100000185839 [0,1,0,0,0,1|1,0,0]=3 4810 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Br 1626a_100000731138_100000185839 [0,1,0,0,0,1|1,0,0]=3 4811 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Br 240690a_100000731138_100000185839 [0,1,0,0,0,1|1,0,0]=3 4812 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Br 527a_100000731138_100000185839 [0,1,0,0,0,1|1,0,0]=3 4813 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Cl 11a_100000731138_100000210187 [0,1,0,0,0,1|1,0,0]=3 4814 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Cl 1626a_100000731138_100000210187 [0,1,0,0,0,1|1,0,0]=3 4815 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Cl 240690a_100000731138_100000210187 [0,1,0,0,0,1|1,0,0]=3 4816 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)Cl 527a_100000731138_100000210187 [0,1,0,0,0,1|1,0,0]=3 4817 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)F 11a_100000731138_100000187176 [0,1,0,0,0,1|1,0,0]=3 4818 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)F 1626a_100000731138_100000187176 [0,1,0,0,0,1|1,0,0]=3 4819 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)F 240690a_100000731138_100000187176 [0,1,0,0,0,1|1,0,0]=3 4820 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)F 527a_100000731138_100000187176 [0,1,0,0,0,1|1,0,0]=3 4821 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)I 11a_100000731138_100000187904 [0,1,0,0,0,1|1,0,0]=3 4822 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)I 1626a_100000731138_100000187904 [0,1,0,0,0,1|1,0,0]=3 4823 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)I 240690a_100000731138_100000187904 [0,1,0,0,0,1|1,0,0]=3 4824 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)I 527a_100000731138_100000187904 [0,1,0,0,0,1|1,0,0]=3 4825 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)O 240690a_100000731138_100000212099 [0,1,0,0,0,1|1,0,0]=3 4826 B16R1.1026 CC(C)SCCNC(=O)c1ccc(cc1)O 527a_100000731138_100000212099 [0,1,0,0,0,1|1,0,0]=3 4827 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000730970 [0,1,0,0,0,1|1,0,1]=4 4828 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)Br 34a_200011212901_100000755118 [0,1,0,0,0,1|1,0,1]=4 4829 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000730970 [0,1,0,0,0,1|1,0,1]=4 4830 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)Cl 7a_200011212901_100000684792 [0,1,0,0,0,1|1,0,1]=4 4831 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)F 34a_100000181323_100000730970 [0,1,0,0,0,1|1,0,1]=4 4832 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)F 34a_200011212901_100000743420 [0,1,0,0,0,1|1,0,1]=4 4833 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)F 7a_100000181323_100000730970 [0,1,0,0,0,1|1,0,1]=4 4834 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)F 7a_200011212901_100000743420 [0,1,0,0,0,1|1,0,1]=4 4835 B16R1.1026 CC(C)SCCOC(C)c1ccc(cc1)N 34a_100011216399_100000730970 [0,1,0,0,0,1|1,0,1]=4 4836 B16R1.1026 CC(C)SCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000730970 [0,1,0,0,0,1|1,0,1]=4 4837 B16R1.1026 CC(C)SCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000730970 [0,1,0,0,0,1|1,0,1]=4 4838 B16R1.1026 CC(O)CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100012276601 [0,1,0,0,0,1|1,0,0]=3 4839 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100012276601 [0,1,0,0,0,1|1,1,0]=4 4840 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100012276601 [0,1,0,0,0,1|1,1,0]=4 4841 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)Cl 62a_100012276601_100000211071 [0,1,0,0,0,1|1,1,0]=4 4842 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100012276601 [0,1,0,0,0,1|1,1,0]=4 4843 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)F 62a_100012276601_100000211279 [0,1,0,0,0,1|1,1,0]=4 4844 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100012276601 [0,1,0,0,0,1|1,1,0]=4 4845 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)I 62a_100012276601_100011216261 [0,1,0,0,0,1|1,1,0]=4 4846 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100012276601 [0,1,0,0,0,1|1,1,0]=4 4847 B16R1.1026 CC(O)CCSCC(=O)c1ccc(cc1)O 62a_100012276601_100009814261 [0,1,0,0,0,1|1,1,0]=4 4848 B16R1.1026 CC(O)CNCCC(=O)c1ccc(cc1)F 2230a_100000210904_100000211231 [0,1,0,0,0,1|2,0,0]=4 4849 B16R1.1026 CC(O)CNCCC(=O)c1ccc(cc1)O 2230a_100000210904_100009879949 [0,1,0,0,0,1|2,0,0]=4 4850 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100011218427 [0,1,0,0,0,1|2,0,0]=4 4851 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)Br 62a_100011218427_100011215963 [0,1,0,0,0,1|2,0,0]=4 4852 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100011218427 [0,1,0,0,0,1|2,0,0]=4 4853 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)Cl 62a_100011218427_100011216492 [0,1,0,0,0,1|2,0,0]=4 4854 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100011218427 [0,1,0,0,0,1|2,0,0]=4 4855 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)F 62a_100011218427_100000211231 [0,1,0,0,0,1|2,0,0]=4 4856 B16R1.1026 CC(O)CSCCC(=O)c1ccc(cc1)O 62a_100011218427_100009879949 [0,1,0,0,0,1|2,0,0]=4 4857 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)Br 240690a_102531767803_100000185839 [0,1,0,0,0,1|2,0,0]=4 4858 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)Br 527a_102531767803_100000185839 [0,1,0,0,0,1|2,0,0]=4 4859 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)Cl 240690a_102531767803_100000210187 [0,1,0,0,0,1|2,0,0]=4 4860 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)Cl 527a_102531767803_100000210187 [0,1,0,0,0,1|2,0,0]=4 4861 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)F 240690a_102531767803_100000187176 [0,1,0,0,0,1|2,0,0]=4 4862 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)F 527a_102531767803_100000187176 [0,1,0,0,0,1|2,0,0]=4 4863 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)I 240690a_102531767803_100000187904 [0,1,0,0,0,1|2,0,0]=4 4864 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)I 527a_102531767803_100000187904 [0,1,0,0,0,1|2,0,0]=4 4865 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)O 240690a_102531767803_100000212099 [0,1,0,0,0,1|2,0,0]=4 4866 B16R1.1026 CN(C)CCCNC(=O)c1ccc(cc1)O 527a_102531767803_100000212099 [0,1,0,0,0,1|2,0,0]=4 4867 B16R1.1026 CN(C)CCNNC(=O)c1ccc(cc1)Br 22a_100000738145_100000185839 [0,1,0,0,0,1|2,0,0]=4 4868 B16R1.1026 CN(C)CCNNC(=O)c1ccc(cc1)Cl 22a_100000738145_100000210187 [0,1,0,0,0,1|2,0,0]=4 4869 B16R1.1026 CN(C)CCNNC(=O)c1ccc(cc1)F 22a_100000738145_100000187176 [0,1,0,0,0,1|2,0,0]=4 4870 B16R1.1026 CN(C)CCNNC(=O)c1ccc(cc1)I 22a_100000738145_100000187904 [0,1,0,0,0,1|2,0,0]=4 4871 B16R1.1026 CN(C)CCNNC(=O)c1ccc(cc1)O 22a_100000738145_100000212099 [0,1,0,0,0,1|2,0,0]=4 4872 B16R1.1026 CN(C)CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000755713 [0,1,0,0,0,1|1,1,0]=4 4873 B16R1.1026 CN(C)CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000755713 [0,1,0,0,0,1|1,1,0]=4 4874 B16R1.1026 CN(C)CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000755713 [0,1,0,0,0,1|1,1,0]=4 4875 B16R1.1026 CN(C)CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000755713 [0,1,0,0,0,1|1,1,0]=4 4876 B16R1.1026 CN(C)CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000755713 [0,1,0,0,0,1|1,1,0]=4 4877 B16R1.1026 C[C@@H](N)CCOCC(=O)c1ccc(cc1)Br 34a_100000706166_100000188085 [0,1,0,0,0,1|1,0,0]=3 4878 B16R1.1026 C[C@@H](N)CCOCC(=O)c1ccc(cc1)I 34a_100000706166_100011216261 [0,1,0,0,0,1|1,0,0]=3 4879 B16R1.1026 C[C@@H](N)CCOCC(=O)c1ccc(cc1)O 34a_100000706166_100009814261 [0,1,0,0,0,1|1,0,0]=3 4880 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)Br 62a_100009817552_100011215963 [0,1,0,0,0,1|2,0,0]=4 4881 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100009817552 [0,1,0,0,0,1|2,0,0]=4 4882 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)Cl 62a_100009817552_100011216492 [0,1,0,0,0,1|2,0,0]=4 4883 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100009817552 [0,1,0,0,0,1|2,0,0]=4 4884 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100009817552 [0,1,0,0,0,1|2,0,0]=4 4885 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)F 62a_100009817552_100000211231 [0,1,0,0,0,1|2,0,0]=4 4886 B16R1.1026 C[C@@H](O)CSCCC(=O)c1ccc(cc1)O 62a_100009817552_100009879949 [0,1,0,0,0,1|2,0,0]=4 4887 B16R1.1026 Cc1ccc(cc1)C(=O)CCCCC(C)C 1458a_100000188618_100011216152 [0,1,0,0,0,1|1,0,0]=3 4888 B16R1.1026 Cc1ccc(cc1)C(=O)CCNCC(C)C 2230a_100000210953_100000701375 [0,1,0,0,0,1|1,0,0]=3 4889 B16R1.1026 Cc1ccc(cc1)C(=O)CCNCC(C)O 2230a_100000210904_100000701375 [0,1,0,0,0,1|2,0,0]=4 4890 B16R1.1026 Cc1ccc(cc1)C(=O)CCSCC(C)C 62a_100000210624_100000701375 [0,1,0,0,0,1|1,0,0]=3 4891 B16R1.1026 Cc1ccc(cc1)C(=O)CCSCC(C)C 62a_100000701375_100000210760 [0,1,0,0,0,1|1,0,0]=3 4892 B16R1.1026 Cc1ccc(cc1)C(=O)CCSCC(C)O 62a_100000701375_100011218427 [0,1,0,0,0,1|2,0,0]=4 4893 B16R1.1026 Cc1ccc(cc1)C(=O)CCSCC(C)O 62a_100011218427_100000701375 [0,1,0,0,0,1|2,0,0]=4 4894 B16R1.1026 Cc1ccc(cc1)C(=O)CCSC[C@@H](C)O 62a_100000701375_100009817552 [0,1,0,0,0,1|2,0,0]=4 4895 B16R1.1026 Cc1ccc(cc1)C(=O)CCSC[C@@H](C)O 62a_100009817552_100000701375 [0,1,0,0,0,1|2,0,0]=4 4896 B16R1.1026 Cc1ccc(cc1)C(=O)CNCCC(C)O 2230a_200000755665_100000211441 [0,1,0,0,0,1|2,0,0]=4 4897 B16R1.1026 Cc1ccc(cc1)C(=O)COCCC(C)Br 34a_100009893172_100000211441 [0,1,0,0,0,1|1,0,0]=3 4898 B16R1.1026 Cc1ccc(cc1)C(=O)COCCC(C)C 34a_100000210254_100000211441 [0,1,0,0,0,1|0,0,0]=2 4899 B16R1.1026 Cc1ccc(cc1)C(=O)COCCC(C)C 7a_100000210254_100000211441 [0,1,0,0,0,1|0,0,0]=2 4900 B16R1.1026 Cc1ccc(cc1)C(=O)COCCC(F)F 34a_100103093639_100000211441 [0,1,0,0,0,1|2,0,0]=4 4901 B16R1.1026 Cc1ccc(cc1)C(=O)COCC[C@@H](C)N 34a_100000706166_100000211441 [0,1,0,0,0,1|1,0,0]=3 4902 B16R1.1026 Cc1ccc(cc1)C(=O)CSCCC(C)C 62a_100000210312_100000211441 [0,1,0,0,0,1|0,1,0]=3 4903 B16R1.1026 Cc1ccc(cc1)C(=O)CSCCC(C)C 62a_100000211441_100000210312 [0,1,0,0,0,1|0,1,0]=3 4904 B16R1.1026 Cc1ccc(cc1)C(=O)CSCCC(C)O 62a_100000211441_100012276601 [0,1,0,0,0,1|1,1,0]=4 4905 B16R1.1026 Cc1ccc(cc1)C(=O)CSCCC(C)O 62a_100012276601_100000211441 [0,1,0,0,0,1|1,1,0]=4 4906 B16R1.1026 Cc1ccc(cc1)C(=O)CSCCN(C)C 62a_100000211441_100000755713 [0,1,0,0,0,1|1,1,0]=4 4907 B16R1.1026 Cc1ccc(cc1)C(=O)CSCOC(C)C 62a_100000211441_100000709892 [0,1,0,0,0,1|1,1,0]=4 4908 B16R1.1026 Cc1ccc(cc1)C(=O)CSCOC(C)C 62a_100000709892_100000211441 [0,1,0,0,0,1|1,1,0]=4 4909 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCC(C)C 11a_200000737386_100000188618 [0,1,0,0,0,1|1,0,0]=3 4910 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCC(C)C 1626a_200000737386_100000188618 [0,1,0,0,0,1|1,0,0]=3 4911 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCC(C)C 240690a_200000737386_100000188618 [0,1,0,0,0,1|1,0,0]=3 4912 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCC(C)C 527a_200000737386_100000188618 [0,1,0,0,0,1|1,0,0]=3 4913 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCN(C)C 240690a_102531767803_100000188618 [0,1,0,0,0,1|2,0,0]=4 4914 B16R1.1026 Cc1ccc(cc1)C(=O)NCCCN(C)C 527a_102531767803_100000188618 [0,1,0,0,0,1|2,0,0]=4 4915 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 11a_100000701111_100000188618 [0,1,0,0,0,1|1,0,0]=3 4916 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 1626a_100000701111_100000188618 [0,1,0,0,0,1|1,0,0]=3 4917 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 240690a_100000701111_100000188618 [0,1,0,0,0,1|1,0,0]=3 4918 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 34a_200000158910_100000210206 [0,1,0,0,0,1|1,0,0]=3 4919 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 527a_100000701111_100000188618 [0,1,0,0,0,1|1,0,0]=3 4920 B16R1.1026 Cc1ccc(cc1)C(=O)NCCOC(C)C 7a_200000158910_100000210206 [0,1,0,0,0,1|1,0,0]=3 4921 B16R1.1026 Cc1ccc(cc1)C(=O)NCCSC(C)C 11a_100000731138_100000188618 [0,1,0,0,0,1|1,0,0]=3 4922 B16R1.1026 Cc1ccc(cc1)C(=O)NCCSC(C)C 1626a_100000731138_100000188618 [0,1,0,0,0,1|1,0,0]=3 4923 B16R1.1026 Cc1ccc(cc1)C(=O)NCCSC(C)C 240690a_100000731138_100000188618 [0,1,0,0,0,1|1,0,0]=3 4924 B16R1.1026 Cc1ccc(cc1)C(=O)NCCSC(C)C 527a_100000731138_100000188618 [0,1,0,0,0,1|1,0,0]=3 4925 B16R1.1026 Cc1ccc(cc1)C(=O)NN=CCC(C)C 4a_100000189790_100000185833 [0,1,0,0,0,1|1,0,1]=4 4926 B16R1.1026 Cc1ccc(cc1)C(=O)NNCCN(C)C 22a_100000738145_100000188618 [0,1,0,0,0,1|2,0,0]=4 4927 B16R1.1026 Cc1ccc(cc1)C(=O)OCCOC(C)C 7a_200000031072_100000210206 [0,1,0,0,0,1|0,0,0]=2 4928 B16R1.1026 Cc1ccc(cc1)C(C)OCCCC(C)C 34a_100000210774_100011261388 [0,1,0,0,0,1|1,0,1]=4 4929 B16R1.1026 Cc1ccc(cc1)C(C)OCCCC(C)C 7a_100000210774_100011261388 [0,1,0,0,0,1|1,0,1]=4 4930 B16R1.1026 Cc1ccc(cc1)C(C)OCCNC(C)C 34a_100000224655_100011261388 [0,1,0,0,0,1|1,0,1]=4 4931 B16R1.1026 Cc1ccc(cc1)C(C)OCCOC(C)C 34a_100000211219_100011261388 [0,1,0,0,0,1|1,0,1]=4 4932 B16R1.1026 Cc1ccc(cc1)C(C)OCCOC(C)C 7a_100000211219_100011261388 [0,1,0,0,0,1|1,0,1]=4 4933 B16R1.1026 Cc1ccc(cc1)C(C)OCCSC(C)C 34a_200011212901_100011261388 [0,1,0,0,0,1|1,0,1]=4 4934 B16R1.1026 Cc1ccc(cc1)C(C)OCCSC(C)C 7a_200011212901_100011261388 [0,1,0,0,0,1|1,0,1]=4 4935 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCCC(C)C 34a_100000690690_100011214892 [0,1,0,0,0,1|1,0,1]=4 4936 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCCC(C)C 7a_100000690690_100011214892 [0,1,0,0,0,1|1,0,1]=4 4937 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(C)C 34a_100000690690_100000211751 [0,1,0,0,0,1|1,0,1]=4 4938 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(C)C 7a_100000690690_100000211751 [0,1,0,0,0,1|1,0,1]=4 4939 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCSC(C)C 34a_100000690690_100000730970 [0,1,0,0,0,1|1,0,1]=4 4940 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCSC(C)C 7a_100000690690_100000730970 [0,1,0,0,0,1|1,0,1]=4 4941 B16R1.1026 Cc1ccc(cc1)[C@@H](N)COCCC(C)C 34a_100009818840_100000210312 [0,1,0,0,0,1|1,0,1]=4 4942 B16R1.1026 Cc1ccc(cn1)C(=O)CSCCC(C)C 62a_100000210312_100012027583 [0,1,0,0,0,1|1,1,0]=4 4943 B16R1.1026 Cc1ccc(cn1)C(=O)CSCCC(C)C 62a_100012027583_100000210312 [0,1,0,0,0,1|1,1,0]=4 4944 B16R1.1026 O=C(COCCC(F)F)c1ccc(cc1)Br 34a_100103093639_100000188085 [0,1,0,0,0,1|2,0,0]=4 4945 B16R1.1026 O=C(COCCC(F)F)c1ccc(cc1)I 34a_100103093639_100011216261 [0,1,0,0,0,1|2,0,0]=4 4946 B16R1.1026 O=C(COCCC(F)F)c1ccc(cc1)O 34a_100103093639_100009814261 [0,1,0,0,0,1|2,0,0]=4 4947 B16R1.1026 [2H]C(OCCCC(C)C)c1ccc(cc1)F 34a_217856618577_100011214892 [0,1,0,0,0,1|1,0,1]=4 4948 B16R1.1026 [2H]C(OCCCC(C)C)c1ccc(cc1)F 7a_217856618577_100011214892 [0,1,0,0,0,1|1,0,1]=4 4949 B16R1.1026 [2H]C(OCCOC(C)C)c1ccc(cc1)F 34a_217856618577_100000211751 [0,1,0,0,0,1|1,0,1]=4 4950 B16R1.1026 [2H]C(OCCOC(C)C)c1ccc(cc1)F 7a_217856618577_100000211751 [0,1,0,0,0,1|1,0,1]=4 4951 B16R1.1026 [2H]C(OCCSC(C)C)c1ccc(cc1)F 34a_217856618577_100000730970 [0,1,0,0,0,1|1,0,1]=4 4952 B16R1.1026 [2H]C(OCCSC(C)C)c1ccc(cc1)F 7a_217856618577_100000730970 [0,1,0,0,0,1|1,0,1]=4 4953 B16R1.1132 C#CC(C)NCCCC(=O)c1ccccc1 2230a_100000707721_100000211006 [0,1,0,0,0,1|1,0,1]=4 4954 B16R1.1132 C#CC(C)NCCOC(=O)c1ccccc1 34a_100000707721_100009812718 [0,1,0,0,0,1|0,0,1]=3 4955 B16R1.1132 C#CC(C)OCCNC(=O)c1ccccc1 34a_200000158897_200000035995 [0,1,0,0,0,1|1,0,1]=4 4956 B16R1.1132 C#CC(C)SCCCC(=O)c1ccccc1 62a_200000035995_100000211006 [0,1,0,0,0,1|1,0,1]=4 4957 B16R1.1132 C#CC(C)SCCNC(=O)c1ccccc1 62a_200000035995_200011215302 [0,1,0,0,0,1|1,0,1]=4 4958 B16R1.1132 C#CC(C)SCCOC(=O)c1ccccc1 62a_200000035995_100009812718 [0,1,0,0,0,1|0,0,1]=3 4959 B16R1.1132 C#C[C@@H](C)OCCCC(=O)c1ccccc1 7a_100009815206_100000211006 [0,1,0,0,0,1|1,0,1]=4 4960 B16R1.1132 C#C[C@@H](C)OCCNC(=O)c1ccccc1 7a_100009815206_200011215302 [0,1,0,0,0,1|1,0,1]=4 4961 B16R1.1132 C#C[C@@H](C)OCCOC(=O)c1ccccc1 34a_100009815206_100009812718 [0,1,0,0,0,1|0,0,1]=3 4962 B16R1.1132 C#C[C@@H](C)OCCOC(=O)c1ccccc1 7a_100009815206_100000184176 [0,1,0,0,0,1|0,0,1]=3 4963 B16R1.1132 C=CC(C)COCCC(=O)c1ccccc1 7a_100011215527_100000750707 [0,1,0,0,0,1|1,0,1]=4 4964 B16R1.1132 C=CC(C)COCOC(=O)c1ccccc1 7a_100011215527_100000073877 [0,1,0,0,0,1|0,0,1]=3 4965 B16R1.1132 C=CC(C)OCCOC(=O)c1ccccc1 34a_100000695699_100009812718 [0,1,0,0,0,1|0,0,1]=3 4966 B16R1.1132 C=CC(C)SCCCC(=O)c1ccccc1 62a_100011215867_100000211006 [0,1,0,0,0,1|1,0,1]=4 4967 B16R1.1132 C=CC(C)SCCNC(=O)c1ccccc1 62a_100011215867_200011215302 [0,1,0,0,0,1|1,0,1]=4 4968 B16R1.1132 C=CC(C)SCCOC(=O)c1ccccc1 62a_100011215867_100009812718 [0,1,0,0,0,1|0,0,1]=3 4969 B16R1.1132 C=CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100000730141 [0,1,0,0,0,1|1,0,1]=4 4970 B16R1.1132 C=CC(O)CSCOC(=O)c1ccccc1 62a_100000730141_100000073877 [0,1,0,0,0,1|1,0,1]=4 4971 B16R1.1132 CC(C#N)NCCCC(=O)c1ccccc1 2230a_100000737613_100000211006 [0,1,0,0,0,1|1,0,1]=4 4972 B16R1.1132 CC(C#N)NCCNC(=O)c1ccccc1 2230a_100000736134_100000184139 [0,1,0,0,0,1|1,0,1]=4 4973 B16R1.1132 CC(C#N)OCCNC(=O)c1ccccc1 7a_200000158897_100000703298 [0,1,0,0,0,1|1,0,1]=4 4974 B16R1.1132 CC(C#N)OCCOC(=O)c1ccccc1 34a_100011218135_100009812718 [0,1,0,0,0,1|0,0,1]=3 4975 B16R1.1132 CC(C#N)OCCOC(=O)c1ccccc1 7a_100000025465_100000703298 [0,1,0,0,0,1|0,0,1]=3 4976 B16R1.1132 CC(C#N)SCCCC(=O)c1ccccc1 62a_100000211006_100000703298 [0,1,0,0,0,1|1,0,1]=4 4977 B16R1.1132 CC(C#N)SCCCC(=O)c1ccccc1 62a_100000703298_100000211006 [0,1,0,0,0,1|1,0,1]=4 4978 B16R1.1132 CC(C#N)SCCNC(=O)c1ccccc1 62a_100000703298_200011215302 [0,1,0,0,0,1|1,0,1]=4 4979 B16R1.1132 CC(C#N)SCCNC(=O)c1ccccc1 62a_200011215302_100000703298 [0,1,0,0,0,1|1,0,1]=4 4980 B16R1.1132 CC(C#N)SCCOC(=O)c1ccccc1 62a_100000703298_100009812718 [0,1,0,0,0,1|0,0,1]=3 4981 B16R1.1132 CC(C#N)SCCOC(=O)c1ccccc1 62a_100009812718_100000703298 [0,1,0,0,0,1|0,0,1]=3 4982 B16R1.1132 CC(CF)OCCCC(=O)c1ccccc1 7a_100016041109_100000211006 [0,1,0,0,0,1|1,0,0]=3 4983 B16R1.1132 CC(CF)OCCNC(=O)c1ccccc1 7a_100016041109_200011215302 [0,1,0,0,0,1|1,0,0]=3 4984 B16R1.1132 CC(CF)OCCOC(=O)c1ccccc1 34a_100016041109_100009812718 [0,1,0,0,0,1|0,0,0]=2 4985 B16R1.1132 CC(CF)OCCOC(=O)c1ccccc1 7a_100016041109_100000184176 [0,1,0,0,0,1|0,0,0]=2 4986 B16R1.1132 CC(CN)OCCOC(=O)c1ccccc1 34a_100000210904_100009812718 [0,1,0,0,0,1|0,0,0]=2 4987 B16R1.1132 CC(CO)CCNCC(=O)c1ccccn1 34a_106354213184_100000027445 [0,1,0,0,0,1|2,0,0]=4 4988 B16R1.1132 CC(CO)NCCNC(=O)c1ccccc1 2230a_100000736134_100012180447 [0,1,0,0,0,1|1,0,0]=3 4989 B16R1.1132 CC(CO)NCCNC(=O)c1ccncc1 2230a_200011198449_100012180447 [0,1,0,0,0,1|2,0,0]=4 4990 B16R1.1132 CC(CO)OCCNC(=O)c1ccccc1 34a_200000158897_100012180447 [0,1,0,0,0,1|1,0,0]=3 4991 B16R1.1132 CC(CO)OCCNC(=O)c1ccccc1 7a_200000158897_100012180447 [0,1,0,0,0,1|1,0,0]=3 4992 B16R1.1132 CC(CO)OCCOC(=O)c1ccccc1 7a_100000025465_100012180447 [0,1,0,0,0,1|0,0,0]=2 4993 B16R1.1132 CC(CO)SCCCC(=O)c1ccccc1 62a_100012180447_100000211006 [0,1,0,0,0,1|1,0,0]=3 4994 B16R1.1132 CC(CO)SCCNC(=O)c1ccccc1 62a_100012180447_200011215302 [0,1,0,0,0,1|1,0,0]=3 4995 B16R1.1132 CC(CO)SCCOC(=O)c1ccccc1 62a_100012180447_100009812718 [0,1,0,0,0,1|0,0,0]=2 4996 B16R1.1132 CC(OCCC[C@@H](C)CN)c1ccccc1 34a_100160569302_100000211855 [0,1,0,0,0,1|1,0,1]=4 4997 B16R1.1132 CCC(=O)CCCOC(=O)c1ccccc1 1458a_100000210414_200009892979 [0,1,0,0,0,1|1,0,1]=4 4998 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747405 [0,1,0,0,0,1|1,0,1]=4 4999 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000747405_100000073877 [0,1,0,0,0,1|1,0,1]=4 5000 B16R1.1132 CCC(C)CCCOC(C)c1ccccc1 7a_100011216074_100000230085 [0,1,0,0,0,1|1,0,1]=4 5001 B16R1.1132 CCC(C)CCOCC(=O)c1ccccc1 7a_100011215188_100000211460 [0,1,0,0,0,1|0,0,0]=2 5002 B16R1.1132 CCC(C)CCOCC(=O)c1ccccn1 7a_100011215188_100000027445 [0,1,0,0,0,1|1,0,0]=3 5003 B16R1.1132 CCC(C)CCOCC(=O)c1ccncc1 7a_100011215188_100015248511 [0,1,0,0,0,1|1,0,0]=3 5004 B16R1.1132 CCC(C)CCOCC(C)c1ccccc1 7a_100011215188_100000756946 [0,1,0,0,0,1|1,0,1]=4 5005 B16R1.1132 CCC(C)CCOCC(O)c1ccccc1 7a_100011215188_100000185958 [0,1,0,0,0,1|0,0,2]=4 5006 B16R1.1132 CCC(C)CCOC[C@@H](O)c1ccccc1 7a_100011215188_100011933945 [0,1,0,0,0,1|0,0,2]=4 5007 B16R1.1132 CCC(C)CNCCC(=O)c1ccccc1 2230a_100020588543_100000750707 [0,1,0,0,0,1|1,0,0]=3 5008 B16R1.1132 CCC(C)CNCCS(=O)c1ccccc1 2230a_100020588543_100000740319 [0,1,0,0,0,1|2,0,0]=4 5009 B16R1.1132 CCC(C)CSCCC(=O)c1ccccc1 62a_100000748023_100000750707 [0,1,0,0,0,1|1,0,0]=3 5010 B16R1.1132 CCC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000748023 [0,1,0,0,0,1|1,0,0]=3 5011 B16R1.1132 CCC(C)CSCCS(=O)c1ccccc1 62a_100000748023_100000740319 [0,1,0,0,0,1|2,0,0]=4 5012 B16R1.1132 CCC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000748023 [0,1,0,0,0,1|0,0,0]=2 5013 B16R1.1132 CCC(C)CSCOC(=O)c1ccccc1 62a_100000748023_100000073877 [0,1,0,0,0,1|0,0,0]=2 5014 B16R1.1132 CCC(C)NCCCC(=O)c1ccccc1 2230a_100000209981_100000211006 [0,1,0,0,0,1|1,0,0]=3 5015 B16R1.1132 CCC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000758301 [0,1,0,0,0,1|1,0,0]=3 5016 B16R1.1132 CCC(C)NCCNC(=O)c1ccncc1 2230a_200011198449_100000758301 [0,1,0,0,0,1|2,0,0]=4 5017 B16R1.1132 CCC(C)OCCCC(=O)c1ccccc1 7a_100000210228_100000211006 [0,1,0,0,0,1|1,0,0]=3 5018 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100011215416 [0,1,0,0,0,1|1,0,0]=3 5019 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 7a_100000210228_200011215302 [0,1,0,0,0,1|1,0,0]=3 5020 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000758301 [0,1,0,0,0,1|1,0,0]=3 5021 B16R1.1132 CCC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000758301 [0,1,0,0,0,1|0,0,0]=2 5022 B16R1.1132 CCC(C)OCCOC(=O)c1ccccc1 7a_100000210228_100000184176 [0,1,0,0,0,1|0,0,0]=2 5023 B16R1.1132 CCC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000758301 [0,1,0,0,0,1|1,0,0]=3 5024 B16R1.1132 CCC(C)SCCCC(=O)c1ccccc1 62a_100000758301_100000211006 [0,1,0,0,0,1|1,0,0]=3 5025 B16R1.1132 CCC(C)SCCNC(=O)c1ccccc1 62a_100000758301_200011215302 [0,1,0,0,0,1|1,0,0]=3 5026 B16R1.1132 CCC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000758301 [0,1,0,0,0,1|1,0,0]=3 5027 B16R1.1132 CCC(C)SCCOC(=O)c1ccccc1 62a_100000758301_100009812718 [0,1,0,0,0,1|0,0,0]=2 5028 B16R1.1132 CCC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000758301 [0,1,0,0,0,1|0,0,0]=2 5029 B16R1.1132 CCC(O)CNCCC(=O)c1ccccc1 2230a_100011218483_100000750707 [0,1,0,0,0,1|2,0,0]=4 5030 B16R1.1132 CCC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011218378 [0,1,0,0,0,1|2,0,0]=4 5031 B16R1.1132 CCC(O)CSCCC(=O)c1ccccc1 62a_100011218378_100000750707 [0,1,0,0,0,1|2,0,0]=4 5032 B16R1.1132 CCC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218378 [0,1,0,0,0,1|1,0,0]=3 5033 B16R1.1132 CCC(O)CSCOC(=O)c1ccccc1 62a_100011218378_100000073877 [0,1,0,0,0,1|1,0,0]=3 5034 B16R1.1132 CCN(C)CCCOC(=O)c1ccccc1 269982a_100000225621_200009892979 [0,1,0,0,0,1|1,0,0]=3 5035 B16R1.1132 CC[C@H](C)COCCC(=O)c1ccccc1 7a_100009816381_100000750707 [0,1,0,0,0,1|1,0,0]=3 5036 B16R1.1132 CC[C@H](C)COCCS(=O)c1ccccc1 7a_100009816381_100000740319 [0,1,0,0,0,1|2,0,0]=4 5037 B16R1.1132 CC[C@H](C)COCOC(=O)c1ccccc1 7a_100009816381_100000073877 [0,1,0,0,0,1|0,0,0]=2 5038 B16R1.1132 CC[C@H](C)CSCCC(=O)c1ccccc1 62a_100000750707_100009816398 [0,1,0,0,0,1|1,0,0]=3 5039 B16R1.1132 CC[C@H](C)CSCCC(=O)c1ccccc1 62a_100009816398_100000750707 [0,1,0,0,0,1|1,0,0]=3 5040 B16R1.1132 CC[C@H](C)CSCCS(=O)c1ccccc1 62a_100009816398_100000740319 [0,1,0,0,0,1|2,0,0]=4 5041 B16R1.1132 CC[C@H](C)CSCOC(=O)c1ccccc1 62a_100000073877_100009816398 [0,1,0,0,0,1|0,0,0]=2 5042 B16R1.1132 CC[C@H](C)CSCOC(=O)c1ccccc1 62a_100009816398_100000073877 [0,1,0,0,0,1|0,0,0]=2 5043 B16R1.1132 CNC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000183359 [0,1,0,0,0,1|1,0,1]=4 5044 B16R1.1132 CNC(=O)CSCOC(=O)c1ccccc1 62a_100000183359_100000073877 [0,1,0,0,0,1|1,0,1]=4 5045 B16R1.1132 COC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747449 [0,1,0,0,0,1|1,0,1]=4 5046 B16R1.1132 COC(=O)CSCOC(=O)c1ccccc1 62a_100000747449_100000073877 [0,1,0,0,0,1|1,0,1]=4 5047 B16R1.1132 COC(C)CCOCC(=O)c1ccccc1 7a_100000764861_100000211460 [0,1,0,0,0,1|0,0,0]=2 5048 B16R1.1132 COC(C)CCOCC(=O)c1ccccn1 7a_100000764861_100000027445 [0,1,0,0,0,1|1,0,0]=3 5049 B16R1.1132 COC(C)CCOCC(=O)c1ccncc1 7a_100000764861_100015248511 [0,1,0,0,0,1|1,0,0]=3 5050 B16R1.1132 COC(C)CCOCC(C)c1ccccc1 7a_100000764861_100000756946 [0,1,0,0,0,1|1,0,1]=4 5051 B16R1.1132 COC(C)CCOCC(O)c1ccccc1 7a_100000764861_100000185958 [0,1,0,0,0,1|0,0,2]=4 5052 B16R1.1132 COC(C)CCOC[C@@H](O)c1ccccc1 7a_100000764861_100011933945 [0,1,0,0,0,1|0,0,2]=4 5053 B16R1.1132 COC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100009879195 [0,1,0,0,0,1|1,0,0]=3 5054 B16R1.1132 COC(C)SCCCC(=O)c1ccccc1 62a_100009879195_100000211006 [0,1,0,0,0,1|1,0,0]=3 5055 B16R1.1132 COC(C)SCCNC(=O)c1ccccc1 62a_100009879195_200011215302 [0,1,0,0,0,1|1,0,0]=3 5056 B16R1.1132 COC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100009879195 [0,1,0,0,0,1|1,0,0]=3 5057 B16R1.1132 COC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100009879195 [0,1,0,0,0,1|0,0,0]=2 5058 B16R1.1132 COC(C)SCCOC(=O)c1ccccc1 62a_100009879195_100009812718 [0,1,0,0,0,1|0,0,0]=2 5059 B16R1.1132 CO[C@H](C)CNCCC(=O)c1ccccc1 2230a_100020591295_100000750707 [0,1,0,0,0,1|1,0,0]=3 5060 B16R1.1132 CO[C@H](C)CNCCS(=O)c1ccccc1 2230a_100020591295_100000740319 [0,1,0,0,0,1|2,0,0]=4 5061 B16R1.1132 CSC(C)CC=NNC(=O)c1ccccc1 4a_100000184135_100000036020 [0,1,0,0,0,1|1,0,1]=4 5062 B16R1.1132 C[C@@H](CO)CSCCC(=O)c1ccccc1 62a_100000059175_100000750707 [0,1,0,0,0,1|1,0,0]=3 5063 B16R1.1132 C[C@@H](CO)CSCCC(=O)c1ccccc1 62a_100000750707_100000059175 [0,1,0,0,0,1|1,0,0]=3 5064 B16R1.1132 C[C@@H](CO)CSCCS(=O)c1ccccc1 62a_100000059175_100000740319 [0,1,0,0,0,1|2,0,0]=4 5065 B16R1.1132 C[C@@H](CO)CSCOC(=O)c1ccccc1 62a_100000059175_100000073877 [0,1,0,0,0,1|0,0,0]=2 5066 B16R1.1132 C[C@@H](CO)CSCOC(=O)c1ccccc1 62a_100000073877_100000059175 [0,1,0,0,0,1|0,0,0]=2 5067 B16R1.1132 C[C@H](CO)NCCCC(=O)c1ccccc1 2230a_100000737577_100000211006 [0,1,0,0,0,1|1,0,0]=3 5068 B16R1.1132 C[C@H](CO)SCCCC(=O)c1ccccc1 62a_100000211006_100016084084 [0,1,0,0,0,1|1,0,0]=3 5069 B16R1.1132 C[C@H](CO)SCCCC(=O)c1ccccc1 62a_100016084084_100000211006 [0,1,0,0,0,1|1,0,0]=3 5070 B16R1.1132 C[C@H](CO)SCCNC(=O)c1ccccc1 62a_100016084084_200011215302 [0,1,0,0,0,1|1,0,0]=3 5071 B16R1.1132 C[C@H](CO)SCCNC(=O)c1ccccc1 62a_200011215302_100016084084 [0,1,0,0,0,1|1,0,0]=3 5072 B16R1.1132 C[C@H](CO)SCCOC(=O)c1ccccc1 62a_100009812718_100016084084 [0,1,0,0,0,1|0,0,0]=2 5073 B16R1.1132 C[C@H](CO)SCCOC(=O)c1ccccc1 62a_100016084084_100009812718 [0,1,0,0,0,1|0,0,0]=2 5074 B16R1.1132 N#CC(F)SCCOC(=O)c1ccccc1 62a_100009812718_200000117898 [0,1,0,0,0,1|1,0,1]=4 5075 B16R1.1132 N#CC(F)SCCOC(=O)c1ccccc1 62a_200000117898_100009812718 [0,1,0,0,0,1|1,0,1]=4 5076 B16R1.1132 O=C(CCNC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000750707 [0,1,0,0,0,1|2,0,0]=4 5077 B16R1.1132 O=C(CCSCC(O)CO)c1ccccc1 62a_100000750707_100011219619 [0,1,0,0,0,1|2,0,0]=4 5078 B16R1.1132 O=C(CCSCC(O)CO)c1ccccc1 62a_100011219619_100000750707 [0,1,0,0,0,1|2,0,0]=4 5079 B16R1.1132 O=C(CCSC[C@@H](O)CF)c1ccccc1 62a_100000750707_100015614560 [0,1,0,0,0,1|2,0,0]=4 5080 B16R1.1132 O=C(CCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000750707 [0,1,0,0,0,1|2,0,0]=4 5081 B16R1.1132 O=C(CCSC[C@@H](O)CO)c1ccccc1 62a_100000750707_100009815848 [0,1,0,0,0,1|2,0,0]=4 5082 B16R1.1132 O=C(CCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000750707 [0,1,0,0,0,1|2,0,0]=4 5083 B16R1.1132 O=C(CO)CCCOC(=O)c1ccccc1 1458a_100000210174_200009892979 [0,1,0,0,0,1|1,0,1]=4 5084 B16R1.1132 O=C(OCSCC(O)CO)c1ccccc1 62a_100000073877_100011219619 [0,1,0,0,0,1|1,0,0]=3 5085 B16R1.1132 O=C(OCSCC(O)CO)c1ccccc1 62a_100011219619_100000073877 [0,1,0,0,0,1|1,0,0]=3 5086 B16R1.1132 O=C(OCSC[C@@H](O)CF)c1ccccc1 62a_100000073877_100015614560 [0,1,0,0,0,1|1,0,0]=3 5087 B16R1.1132 O=C(OCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000073877 [0,1,0,0,0,1|1,0,0]=3 5088 B16R1.1132 O=C(OCSC[C@@H](O)CO)c1ccccc1 62a_100000073877_100009815848 [0,1,0,0,0,1|1,0,0]=3 5089 B16R1.1132 O=C(OCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000073877 [0,1,0,0,0,1|1,0,0]=3 5090 B16R1.1277 CC(Br)CCOCS(=O)(=O)c1ccccc1 34a_100009893172_200009813291 [0,1,0,0,0,1|2,0,0]=4 5091 B16R1.1277 CC(C)CCCNS(=O)(=O)c1ccccc1 270084a_200000737386_100000210345 [0,1,0,0,0,1|2,0,0]=4 5092 B16R1.1277 CC(C)CCCNS(=O)(=O)c1ccccc1 274078a_200000737386_100000210345 [0,1,0,0,0,1|2,0,0]=4 5093 B16R1.1277 CC(C)CCCNS(=O)(=O)c1ccccc1 40a_200000737386_100000032697 [0,1,0,0,0,1|2,0,0]=4 5094 B16R1.1277 CC(C)CCCOC(C)(C)c1ccccc1 7a_100000694644_100011214892 [0,1,0,0,0,1|1,0,1]=4 5095 B16R1.1277 CC(C)CCCOC(F)(F)c1ccccc1 7a_100000210774_100000036403 [0,1,0,0,0,1|1,0,1]=4 5096 B16R1.1277 CC(C)CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210626 [0,1,0,0,0,1|1,0,1]=4 5097 B16R1.1277 CC(C)CCOCC(F)(F)c1ccccc1 34a_100000210254_100009875531 [0,1,0,0,0,1|1,0,1]=4 5098 B16R1.1277 CC(C)CCOCS(=O)(=O)c1ccccc1 34a_100000210254_200009813291 [0,1,0,0,0,1|1,0,0]=3 5099 B16R1.1277 CC(C)CCOC[Si](C)(C)c1ccccc1 7a_100000210254_100000038972 [0,1,0,0,0,1|1,1,0]=4 5100 B16R1.1277 CC(C)CCSCS(=O)(=O)c1ccccc1 62a_100000210312_100000240042 [0,1,0,0,0,1|1,1,0]=4 5101 B16R1.1277 CC(C)CCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210312 [0,1,0,0,0,1|1,1,0]=4 5102 B16R1.1277 CC(C)CNCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210760 [0,1,0,0,0,1|2,0,0]=4 5103 B16R1.1277 CC(C)CNCCS(=O)(=O)c1ccccc1 2230a_100000210953_100000229977 [0,1,0,0,0,1|2,0,0]=4 5104 B16R1.1277 CC(C)CNCCS(=O)(=O)c1ccccc1 270004a_100000168333_100000210432 [0,1,0,0,0,1|2,0,0]=4 5105 B16R1.1277 CC(C)COCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210624 [0,1,0,0,0,1|2,0,0]=4 5106 B16R1.1277 CC(C)COCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210760 [0,1,0,0,0,1|2,0,0]=4 5107 B16R1.1277 CC(C)CSCCS(=O)(=O)c1ccccc1 62a_100000210624_100000229977 [0,1,0,0,0,1|2,0,0]=4 5108 B16R1.1277 CC(C)CSCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210760 [0,1,0,0,0,1|2,0,0]=4 5109 B16R1.1277 CC(C)NCCNS(=O)(=O)c1ccccc1 2230a_100000736423_100000210206 [0,1,0,0,0,1|2,0,0]=4 5110 B16R1.1277 CC(C)NCCNS(=O)(=O)c1ccccc1 34a_100000736423_100000210206 [0,1,0,0,0,1|2,0,0]=4 5111 B16R1.1277 CC(C)NCCOS(=O)(=O)c1ccccc1 34a_100138425928_200000070464 [0,1,0,0,0,1|1,0,0]=3 5112 B16R1.1277 CC(C)OCCNS(=O)(=O)c1ccccc1 274078a_100000701111_100000210345 [0,1,0,0,0,1|2,0,0]=4 5113 B16R1.1277 CC(C)OCCNS(=O)(=O)c1ccccc1 40a_100000701111_100000032697 [0,1,0,0,0,1|2,0,0]=4 5114 B16R1.1277 CC(C)OCCOC(C)(C)c1ccccc1 7a_100000694644_100000211751 [0,1,0,0,0,1|1,0,1]=4 5115 B16R1.1277 CC(C)OCCOC(F)(F)c1ccccc1 7a_100000211219_100000036403 [0,1,0,0,0,1|1,0,1]=4 5116 B16R1.1277 CC(C)OCCOS(=O)(=O)c1ccccc1 34a_100000212225_200000070464 [0,1,0,0,0,1|1,0,0]=3 5117 B16R1.1277 CC(C)SCCNS(=O)(=O)c1ccccc1 270084a_100000731138_100000210345 [0,1,0,0,0,1|2,0,0]=4 5118 B16R1.1277 CC(C)SCCNS(=O)(=O)c1ccccc1 274078a_100000731138_100000210345 [0,1,0,0,0,1|2,0,0]=4 5119 B16R1.1277 CC(C)SCCNS(=O)(=O)c1ccccc1 40a_100000731138_100000032697 [0,1,0,0,0,1|2,0,0]=4 5120 B16R1.1277 CC(C)SCCOC(C)(C)c1ccccc1 7a_100000694644_100000730970 [0,1,0,0,0,1|1,0,1]=4 5121 B16R1.1277 CC(C)SCCOC(F)(F)c1ccccc1 7a_200011212901_100000036403 [0,1,0,0,0,1|1,0,1]=4 5122 B16R1.1277 CC(C)SCCOS(=O)(=O)c1ccccc1 62a_100000210206_200000070464 [0,1,0,0,0,1|1,0,0]=3 5123 B16R1.1277 C[C@@H](N)CCOCS(=O)(=O)c1ccccc1 34a_100000706166_200009813291 [0,1,0,0,0,1|2,0,0]=4 5124 B16R1.2929 C#CC(OCCCC(C)C)c1ccccc1 34a_100011219616_100011214892 [0,1,0,0,0,1|1,0,1]=4 5125 B16R1.2929 C#CC(OCCCC(C)C)c1ccccc1 7a_100011219616_100011214892 [0,1,0,0,0,1|1,0,1]=4 5126 B16R1.2929 C#CC(OCCOC(C)C)c1ccccc1 34a_100011219616_100000211751 [0,1,0,0,0,1|1,0,1]=4 5127 B16R1.2929 C#CC(OCCOC(C)C)c1ccccc1 7a_100011219616_100000211751 [0,1,0,0,0,1|1,0,1]=4 5128 B16R1.2929 C#CC(OCCSC(C)C)c1ccccc1 34a_100011219616_100000730970 [0,1,0,0,0,1|1,0,1]=4 5129 B16R1.2929 C#CC(OCCSC(C)C)c1ccccc1 7a_100011219616_100000730970 [0,1,0,0,0,1|1,0,1]=4 5130 B16R1.2929 C=CC(OCCCC(C)C)c1ccccc1 34a_100011215659_100011214892 [0,1,0,0,0,1|1,0,1]=4 5131 B16R1.2929 C=CC(OCCCC(C)C)c1ccccc1 7a_100011215659_100011214892 [0,1,0,0,0,1|1,0,1]=4 5132 B16R1.2929 C=CC(OCCOC(C)C)c1ccccc1 34a_100011215659_100000211751 [0,1,0,0,0,1|1,0,1]=4 5133 B16R1.2929 C=CC(OCCOC(C)C)c1ccccc1 7a_100011215659_100000211751 [0,1,0,0,0,1|1,0,1]=4 5134 B16R1.2929 C=CC(OCCSC(C)C)c1ccccc1 34a_100011215659_100000730970 [0,1,0,0,0,1|1,0,1]=4 5135 B16R1.2929 C=CC(OCCSC(C)C)c1ccccc1 7a_100011215659_100000730970 [0,1,0,0,0,1|1,0,1]=4 5136 B16R1.2929 CC(C)CCCOC(C#N)c1ccccc1 7a_100011217353_100011214892 [0,1,0,0,0,1|1,0,1]=4 5137 B16R1.2929 CC(C)CCCOC(CBr)c1ccccc1 7a_100000185958_100011214892 [0,1,0,0,0,1|1,0,1]=4 5138 B16R1.2929 CC(C)CCCOC(CN)c1ccccc1 34a_100000210709_100011214892 [0,1,0,0,0,1|1,0,1]=4 5139 B16R1.2929 CC(C)CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011214892 [0,1,0,0,0,1|1,0,1]=4 5140 B16R1.2929 CC(C)CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011214892 [0,1,0,0,0,1|1,0,1]=4 5141 B16R1.2929 CC(C)OCCOC(C#N)c1ccccc1 7a_100011217353_100000211751 [0,1,0,0,0,1|1,0,1]=4 5142 B16R1.2929 CC(C)OCCOC(CBr)c1ccccc1 7a_100000185958_100000211751 [0,1,0,0,0,1|1,0,1]=4 5143 B16R1.2929 CC(C)OCCOC(CN)c1ccccc1 34a_100000210709_100000211751 [0,1,0,0,0,1|1,0,1]=4 5144 B16R1.2929 CC(C)OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211751 [0,1,0,0,0,1|1,0,1]=4 5145 B16R1.2929 CC(C)OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211751 [0,1,0,0,0,1|1,0,1]=4 5146 B16R1.2929 CC(C)SCCOC(C#N)c1ccccc1 7a_100011217353_100000730970 [0,1,0,0,0,1|1,0,1]=4 5147 B16R1.2929 CC(C)SCCOC(CBr)c1ccccc1 7a_100000185958_100000730970 [0,1,0,0,0,1|1,0,1]=4 5148 B16R1.2929 CC(C)SCCOC(CN)c1ccccc1 34a_100000210709_100000730970 [0,1,0,0,0,1|1,0,1]=4 5149 B16R1.2929 CC(C)SCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000730970 [0,1,0,0,0,1|1,0,1]=4 5150 B16R1.2929 CC(C)SCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000730970 [0,1,0,0,0,1|1,0,1]=4 5151 B16R1.2929 CCC(COCCC(C)C)c1ccccc1 34a_100000752371_100000210312 [0,1,0,0,0,1|1,0,1]=4 5152 B16R1.2929 CCC(COCCC(C)C)c1ccccc1 7a_100000752371_100000210626 [0,1,0,0,0,1|1,0,1]=4 5153 B16R1.2929 CCC(OCCCC(C)C)c1ccccc1 34a_100000698172_100011214892 [0,1,0,0,0,1|1,0,1]=4 5154 B16R1.2929 CCC(OCCCC(C)C)c1ccccc1 7a_100000698172_100011214892 [0,1,0,0,0,1|1,0,1]=4 5155 B16R1.2929 CCC(OCCOC(C)C)c1ccccc1 34a_100000698172_100000211751 [0,1,0,0,0,1|1,0,1]=4 5156 B16R1.2929 CCC(OCCOC(C)C)c1ccccc1 7a_100000698172_100000211751 [0,1,0,0,0,1|1,0,1]=4 5157 B16R1.2929 CCC(OCCSC(C)C)c1ccccc1 34a_100000698172_100000730970 [0,1,0,0,0,1|1,0,1]=4 5158 B16R1.2929 CCC(OCCSC(C)C)c1ccccc1 7a_100000698172_100000730970 [0,1,0,0,0,1|1,0,1]=4 5159 B16R1.2929 COC(COCCC(C)C)c1ccccc1 34a_100011215540_100000210312 [0,1,0,0,0,1|0,0,2]=4 5160 B16R1.2929 COC(COCCC(C)C)c1ccccc1 7a_100011215540_100000210626 [0,1,0,0,0,1|0,0,2]=4 5161 B16R1.4129 C=C(C)C(=O)CCOC(=O)c1ccccc1 1458a_100000185857_100000184176 [0,1,0,0,0,1|0,0,2]=4 5162 B16R1.4129 C=C(CCCC(=O)C(C)C)c1ccccc1 1458a_200009911520_100000210206 [0,1,0,0,0,1|2,0,0]=4 5163 B16R1.4129 CC(=O)C(C)COCC(=O)c1ccccc1 7a_100000032740_100000211460 [0,1,0,0,0,1|1,0,1]=4 5164 B16R1.4129 CC(=O)C(C)SCOC(=O)c1ccccc1 62a_100000073877_100009814033 [0,1,0,0,0,1|1,0,1]=4 5165 B16R1.4129 CC(=O)C(C)SCOC(=O)c1ccccc1 62a_100009814033_100000073877 [0,1,0,0,0,1|1,0,1]=4 5166 B16R1.4129 CC(C)C(=O)CCCC(=O)c1ccccc1 1458a_100000210198_100000211006 [0,1,0,0,0,1|1,0,0]=3 5167 B16R1.4129 CC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210206 [0,1,0,0,0,1|1,0,0]=3 5168 B16R1.4129 CC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100000210198_200011215302 [0,1,0,0,0,1|1,0,0]=3 5169 B16R1.4129 CC(C)C(=O)CCOC(=O)c1ccccc1 1458a_100000210198_100000184176 [0,1,0,0,0,1|0,0,0]=2 5170 B16R1.4129 CC(C)C(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000753385 [0,1,0,0,0,1|0,1,1]=4 5171 B16R1.4129 CC(C)C(=O)CSCC(=O)c1ccccc1 62a_100000753385_100000211460 [0,1,0,0,0,1|0,1,1]=4 5172 B16R1.4129 CC(C)C(C)NCCC(=O)c1ccccc1 2230a_100000211541_100000750707 [0,1,0,0,0,1|1,0,0]=3 5173 B16R1.4129 CC(C)C(C)NCCS(=O)c1ccccc1 2230a_100000211541_100000740319 [0,1,0,0,0,1|2,0,0]=4 5174 B16R1.4129 CC(C)C(C)OCCC(=O)c1ccccc1 7a_100000748068_100000750707 [0,1,0,0,0,1|1,0,0]=3 5175 B16R1.4129 CC(C)C(C)OCCS(=O)c1ccccc1 7a_100000748068_100000740319 [0,1,0,0,0,1|2,0,0]=4 5176 B16R1.4129 CC(C)C(C)OCOC(=O)c1ccccc1 7a_100000748068_100000073877 [0,1,0,0,0,1|0,0,0]=2 5177 B16R1.4129 CC(C)C(O)CNCC(=O)c1ccccn1 34a_100000759067_100000027445 [0,1,0,0,0,1|2,0,0]=4 5178 B16R1.4129 CC(C)N(C)CCCC(=O)c1ccccc1 269982a_200000211004_100000211006 [0,1,0,0,0,1|1,0,0]=3 5179 B16R1.4129 CC(C)N(C)CCNC(=O)c1ccccc1 1626a_100000749581_100000185807 [0,1,0,0,0,1|1,0,0]=3 5180 B16R1.4129 CC(C)N(C)CCNC(=O)c1ccccc1 240690a_100000749581_100000185807 [0,1,0,0,0,1|1,0,0]=3 5181 B16R1.4129 CC(C)N(C)CCNC(=O)c1ccccc1 269982a_200000211004_200011215302 [0,1,0,0,0,1|1,0,0]=3 5182 B16R1.4129 CC(C)N(C)CCNC(=O)c1ccccc1 527a_100000749581_100000185807 [0,1,0,0,0,1|1,0,0]=3 5183 B16R1.4129 CC(C)N(C)CCOC(=O)c1ccccc1 269982a_200000211004_100009812718 [0,1,0,0,0,1|0,0,0]=2 5184 B16R1.4129 CC(C)[C@@H](N)COCC(=O)c1ccccn1 34a_100011830312_100000027445 [0,1,0,0,0,1|1,0,0]=3 5185 B16R1.4129 CC(C)[C@@H](N)COCC(O)c1ccccc1 34a_100011830312_100000185958 [0,1,0,0,0,1|0,0,2]=4 5186 B16R1.4129 CC(C)[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100011830312_100011933945 [0,1,0,0,0,1|0,0,2]=4 5187 B16R1.4129 CC(COC[C@H](N)C(C)C)c1ccccc1 34a_100011830312_100000756946 [0,1,0,0,0,1|1,0,1]=4 5188 B16R1.4129 CC(F)C(=O)CCCC(=O)c1ccccc1 1458a_100000062450_100000211006 [0,1,0,0,0,1|2,0,0]=4 5189 B16R1.4129 CC(F)C(=O)CCNC(=O)c1ccccc1 1458a_100000062450_200011215302 [0,1,0,0,0,1|2,0,0]=4 5190 B16R1.4129 CC(F)C(=O)CCOC(=O)c1ccccc1 1458a_100000062450_100000184176 [0,1,0,0,0,1|1,0,0]=3 5191 B16R1.4129 CC(OCCC(N)C(C)C)c1ccccc1 34a_100161115045_100000211855 [0,1,0,0,0,1|1,0,1]=4 5192 B16R1.4129 CN(C)C(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100000737642 [0,1,0,0,0,1|2,0,0]=4 5193 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 11a_100000738053_100000185807 [0,1,0,0,0,1|2,0,0]=4 5194 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 11a_100102631434_100000182757 [0,1,0,0,0,1|2,0,0]=4 5195 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 1626a_100102631434_100000182757 [0,1,0,0,0,1|2,0,0]=4 5196 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 240690a_100000738053_100000185807 [0,1,0,0,0,1|2,0,0]=4 5197 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 240690a_100102631434_100000182757 [0,1,0,0,0,1|2,0,0]=4 5198 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 527a_100000738053_100000185807 [0,1,0,0,0,1|2,0,0]=4 5199 B16R1.4129 CN(C)C(=O)CCNC(=O)c1ccccc1 527a_100102631434_100000182757 [0,1,0,0,0,1|2,0,0]=4 5200 B16R1.4129 C[C@@H](O)C(=O)CCCC(=O)c1ccccc1 1458a_100000717761_100000211006 [0,1,0,0,0,1|2,0,0]=4 5201 B16R1.4129 C[C@@H](O)C(=O)CCNC(=O)c1ccccc1 1458a_100000717761_200011215302 [0,1,0,0,0,1|2,0,0]=4 5202 B16R1.4129 C[C@@H](O)C(=O)CCOC(=O)c1ccccc1 1458a_100000717761_100000184176 [0,1,0,0,0,1|1,0,0]=3 5203 B16R1.4129 C[C@H](O)C(=O)CCCC(=O)c1ccccc1 1458a_217856618621_100000211006 [0,1,0,0,0,1|2,0,0]=4 5204 B16R1.4129 C[C@H](O)C(=O)CCNC(=O)c1ccccc1 1458a_217856618621_200011215302 [0,1,0,0,0,1|2,0,0]=4 5205 B16R1.4129 C[C@H](O)C(=O)CCOC(=O)c1ccccc1 1458a_217856618621_100000184176 [0,1,0,0,0,1|1,0,0]=3 5206 B16R1.4129 O=C(OCCC(=O)C(O)O)c1ccccc1 1458a_100000233687_100000184176 [0,1,0,0,0,1|2,0,0]=4 5207 B16R1.7611 CC(=CC(=O)CCC(C)C)c1ccccc1 1458a_100000743005_100000210312 [0,1,0,0,0,1|2,0,0]=4 5208 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000181311_100000211460 [0,1,0,0,0,1|1,0,0]=3 5209 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccn1 1458a_100000181311_100000027445 [0,1,0,0,0,1|2,0,0]=4 5210 B16R1.7611 CC(C)CCC(=O)CC(=O)c1cccnc1 1458a_100000181311_100015188593 [0,1,0,0,0,1|2,0,0]=4 5211 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccncc1 1458a_100000181311_100000027454 [0,1,0,0,0,1|2,0,0]=4 5212 B16R1.7611 CC(C)CCC(C)NC(=O)c1ccccc1 11a_100138410893_100000185807 [0,1,0,0,0,1|1,0,0]=3 5213 B16R1.7611 CC(C)CCC(C)NC(=O)c1ccccc1 1626a_100138410893_100000185807 [0,1,0,0,0,1|1,0,0]=3 5214 B16R1.7611 CC(C)CCC(C)NC(=O)c1ccccc1 240690a_100138410893_100000185807 [0,1,0,0,0,1|1,0,0]=3 5215 B16R1.7611 CC(C)CCC(C)NC(=O)c1ccccc1 527a_100138410893_100000185807 [0,1,0,0,0,1|1,0,0]=3 5216 B16R1.7611 CC(C)CCC(C)OC(C)c1ccccc1 34a_100011215350_100000211855 [0,1,0,0,0,1|1,0,1]=4 5217 B16R1.7611 CC(C)CCC(C)OC(C)c1ccccc1 7a_100011215350_100000230085 [0,1,0,0,0,1|1,0,1]=4 5218 B16R1.7611 CC(C)CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011261404 [0,1,0,0,0,1|1,0,1]=4 5219 B16R1.7611 CC(C)CCN(C)CC(=O)c1ccccc1 269982a_100000742789_100000211460 [0,1,0,0,0,1|1,0,0]=3 5220 B16R1.7611 CC(C)CCN(C)CC(=O)c1ccccn1 269982a_100000742789_100000027445 [0,1,0,0,0,1|2,0,0]=4 5221 B16R1.7611 CC(C)CCN(C)CC(=O)c1cccnc1 269982a_100000742789_100000757877 [0,1,0,0,0,1|2,0,0]=4 5222 B16R1.7611 CC(C)CCN(C)CC(=O)c1ccncc1 269982a_100000742789_100000027454 [0,1,0,0,0,1|2,0,0]=4 5223 B16R1.7611 CC(C)CCN(C)CS(=O)c1ccccc1 269982a_100000742789_100000031784 [0,1,0,0,0,1|2,0,0]=4 5224 B16R1.7611 CC(C)CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183291 [0,1,0,0,0,1|1,0,1]=4 5225 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccccc1 1458a_100000745533_100000211460 [0,1,0,0,0,1|1,0,1]=4 5226 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccccc1 1458a_100000241585_100000211460 [0,1,0,0,0,1|1,0,1]=4 5227 B16R1.7611 CC(C)SCC(=O)NC(=O)c1ccccc1 62a_100000210206_100000010347 [0,1,0,0,0,1|1,0,1]=4 5228 B16R1.7611 CN(C)CCN(C)CC(=O)c1ccccc1 269982a_100000225618_100000211460 [0,1,0,0,0,1|2,0,0]=4 5229 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccccc1 1458a_100009452791_100000211460 [0,1,0,0,0,1|2,0,0]=4 5230 B16R1.10817 C=C(C)CCOCC(=O)c1ccccc1Br 34a_100000764851_100000199116 [0,1,0,0,0,1|0,0,2]=4 5231 B16R1.10817 C=C(C)CCOCC(=O)c1ccccc1C 34a_100000764851_100000741374 [0,1,0,0,0,1|0,0,2]=4 5232 B16R1.10817 C=C(C)CCOCC(=O)c1ccccc1Cl 34a_100000764851_100000211432 [0,1,0,0,0,1|0,0,2]=4 5233 B16R1.10817 C=C(C)CCOCC(=O)c1ccccc1F 34a_100000764851_100000204681 [0,1,0,0,0,1|0,0,2]=4 5234 B16R1.10817 CC(=CCOCC(=O)c1ccccc1Br)C 34a_100000753907_100000199116 [0,1,0,0,0,1|0,0,2]=4 5235 B16R1.10817 CC(=CCOCC(=O)c1ccccc1C)C 34a_100000753907_100000741374 [0,1,0,0,0,1|0,0,2]=4 5236 B16R1.10817 CC(=CCOCC(=O)c1ccccc1Cl)C 34a_100000753907_100000211432 [0,1,0,0,0,1|0,0,2]=4 5237 B16R1.10817 CC(=CCOCC(=O)c1ccccc1F)C 34a_100000753907_100000204681 [0,1,0,0,0,1|0,0,2]=4 5238 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1Br 34a_100000759926_100000199116 [0,1,0,0,0,1|1,0,1]=4 5239 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1C 34a_100000759926_100000741374 [0,1,0,0,0,1|1,0,1]=4 5240 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1C 7a_100000759926_100000741374 [0,1,0,0,0,1|1,0,1]=4 5241 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1Cl 34a_100000759926_100000211432 [0,1,0,0,0,1|1,0,1]=4 5242 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1F 34a_100000759926_100000204681 [0,1,0,0,0,1|1,0,1]=4 5243 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1F 7a_100000759926_100000204681 [0,1,0,0,0,1|1,0,1]=4 5244 B16R1.10817 CC(=O)CCOCC(=O)c1ccccc1O 7a_100000759926_100000188908 [0,1,0,0,0,1|1,0,1]=4 5245 B16R1.10817 CC(Br)CCOCC(=O)c1ccccc1Br 34a_100009893172_100000199116 [0,1,0,0,0,1|1,0,0]=3 5246 B16R1.10817 CC(Br)CCOCC(=O)c1ccccc1Cl 34a_100009893172_100000211432 [0,1,0,0,0,1|1,0,0]=3 5247 B16R1.10817 CC(Br)CCOCC(=O)c1ccccc1F 34a_100009893172_100000204681 [0,1,0,0,0,1|1,0,0]=3 5248 B16R1.10817 CC(C)CC=NNC(=O)c1ccccc1Br 4a_100000183644_100000185833 [0,1,0,0,0,1|1,0,1]=4 5249 B16R1.10817 CC(C)CC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000185833 [0,1,0,0,0,1|1,0,1]=4 5250 B16R1.10817 CC(C)CC=NNC(=O)c1ccccc1F 4a_100000183521_100000185833 [0,1,0,0,0,1|1,0,1]=4 5251 B16R1.10817 CC(C)CC=NNC(=O)c1ccccc1I 4a_100000190081_100000185833 [0,1,0,0,0,1|1,0,1]=4 5252 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1Br 1458a_100000188424_100011216152 [0,1,0,0,0,1|1,0,0]=3 5253 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100011216152 [0,1,0,0,0,1|1,0,0]=3 5254 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1F 1458a_100000188656_100011216152 [0,1,0,0,0,1|1,0,0]=3 5255 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1I 1458a_100000187884_100011216152 [0,1,0,0,0,1|1,0,0]=3 5256 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1O 1458a_100015234032_100011216152 [0,1,0,0,0,1|1,0,0]=3 5257 B16R1.10817 CC(C)CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011216152 [0,1,0,0,0,1|1,0,0]=3 5258 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Br 11a_200000737386_100000188424 [0,1,0,0,0,1|1,0,0]=3 5259 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Br 1626a_200000737386_100000188424 [0,1,0,0,0,1|1,0,0]=3 5260 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Br 240690a_200000737386_100000188424 [0,1,0,0,0,1|1,0,0]=3 5261 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Br 527a_200000737386_100000188424 [0,1,0,0,0,1|1,0,0]=3 5262 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Cl 11a_200000737386_100000185844 [0,1,0,0,0,1|1,0,0]=3 5263 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Cl 1626a_200000737386_100000185844 [0,1,0,0,0,1|1,0,0]=3 5264 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Cl 240690a_200000737386_100000185844 [0,1,0,0,0,1|1,0,0]=3 5265 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1Cl 527a_200000737386_100000185844 [0,1,0,0,0,1|1,0,0]=3 5266 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1F 11a_200000737386_100000188656 [0,1,0,0,0,1|1,0,0]=3 5267 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1F 1626a_200000737386_100000188656 [0,1,0,0,0,1|1,0,0]=3 5268 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1F 240690a_200000737386_100000188656 [0,1,0,0,0,1|1,0,0]=3 5269 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1F 527a_200000737386_100000188656 [0,1,0,0,0,1|1,0,0]=3 5270 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1I 11a_200000737386_100000187884 [0,1,0,0,0,1|1,0,0]=3 5271 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1I 1626a_200000737386_100000187884 [0,1,0,0,0,1|1,0,0]=3 5272 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1I 240690a_200000737386_100000187884 [0,1,0,0,0,1|1,0,0]=3 5273 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1I 527a_200000737386_100000187884 [0,1,0,0,0,1|1,0,0]=3 5274 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1O 240690a_200000737386_100015234032 [0,1,0,0,0,1|1,0,0]=3 5275 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1[O-] 1626a_200000737386_100009911694 [0,1,0,0,0,1|1,0,0]=3 5276 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1[O-] 240690a_200000737386_100009911694 [0,1,0,0,0,1|1,0,0]=3 5277 B16R1.10817 CC(C)CCCNC(=O)c1ccccc1[O-] 527a_200000737386_100009911694 [0,1,0,0,0,1|1,0,0]=3 5278 B16R1.10817 CC(C)CCCOC(C)c1ccccc1Br 34a_100000702211_100011214892 [0,1,0,0,0,1|1,0,1]=4 5279 B16R1.10817 CC(C)CCCOC(C)c1ccccc1Br 7a_100000702211_100011214892 [0,1,0,0,0,1|1,0,1]=4 5280 B16R1.10817 CC(C)CCCOC(C)c1ccccc1Cl 34a_100000740796_100011214892 [0,1,0,0,0,1|1,0,1]=4 5281 B16R1.10817 CC(C)CCCOC(C)c1ccccc1Cl 7a_100000210774_100000181259 [0,1,0,0,0,1|1,0,1]=4 5282 B16R1.10817 CC(C)CCCOC(C)c1ccccc1Cl 7a_100000740796_100011214892 [0,1,0,0,0,1|1,0,1]=4 5283 B16R1.10817 CC(C)CCCOC(C)c1ccccc1F 34a_100000210774_200000741388 [0,1,0,0,0,1|1,0,1]=4 5284 B16R1.10817 CC(C)CCCOC(C)c1ccccc1F 34a_100000697922_100011214892 [0,1,0,0,0,1|1,0,1]=4 5285 B16R1.10817 CC(C)CCCOC(C)c1ccccc1F 7a_100000210774_200000741388 [0,1,0,0,0,1|1,0,1]=4 5286 B16R1.10817 CC(C)CCCOC(C)c1ccccc1F 7a_100000697922_100011214892 [0,1,0,0,0,1|1,0,1]=4 5287 B16R1.10817 CC(C)CCCOC(C)c1ccccc1N 7a_100011405641_100011214892 [0,1,0,0,0,1|1,0,1]=4 5288 B16R1.10817 CC(C)CCOCC(=O)c1ccccc1Br 34a_100000210254_100000199116 [0,1,0,0,0,1|0,0,0]=2 5289 B16R1.10817 CC(C)CCOCC(=O)c1ccccc1Cl 34a_100000210254_100000211432 [0,1,0,0,0,1|0,0,0]=2 5290 B16R1.10817 CC(C)CCOCC(=O)c1ccccc1F 34a_100000210254_100000204681 [0,1,0,0,0,1|0,0,0]=2 5291 B16R1.10817 CC(C)CCOCC(=O)c1ccccc1F 7a_100000210254_100000204681 [0,1,0,0,0,1|0,0,0]=2 5292 B16R1.10817 CC(C)CCOCC(=O)c1ccccc1O 7a_100000210254_100000188908 [0,1,0,0,0,1|0,0,0]=2 5293 B16R1.10817 CC(C)CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210312 [0,1,0,0,0,1|1,0,1]=4 5294 B16R1.10817 CC(C)CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210312 [0,1,0,0,0,1|1,0,1]=4 5295 B16R1.10817 CC(C)CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210312 [0,1,0,0,0,1|1,0,1]=4 5296 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1Br 62a_100000199116_100000210312 [0,1,0,0,0,1|0,1,0]=3 5297 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1Cl 62a_100000210312_100000211432 [0,1,0,0,0,1|0,1,0]=3 5298 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210312 [0,1,0,0,0,1|0,1,0]=3 5299 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1F 62a_100000204681_100000210312 [0,1,0,0,0,1|0,1,0]=3 5300 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1F 62a_100000210312_100000204681 [0,1,0,0,0,1|0,1,0]=3 5301 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1O 62a_100000188908_100000210312 [0,1,0,0,0,1|0,1,0]=3 5302 B16R1.10817 CC(C)CCSCC(=O)c1ccccc1O 62a_100000210312_100000188908 [0,1,0,0,0,1|0,1,0]=3 5303 B16R1.10817 CC(C)CNCCC(=O)c1ccccc1F 2230a_100000210953_100000086012 [0,1,0,0,0,1|1,0,0]=3 5304 B16R1.10817 CC(C)CSCCC(=O)c1ccccc1F 62a_100000086012_100000210760 [0,1,0,0,0,1|1,0,0]=3 5305 B16R1.10817 CC(C)CSCCC(=O)c1ccccc1F 62a_100000210624_100000086012 [0,1,0,0,0,1|1,0,0]=3 5306 B16R1.10817 CC(C)CSCCC(=O)c1ccccc1O 62a_100000210624_100009873196 [0,1,0,0,0,1|1,0,0]=3 5307 B16R1.10817 CC(C)NCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210206 [0,1,0,0,0,1|1,0,0]=3 5308 B16R1.10817 CC(C)NCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210206 [0,1,0,0,0,1|1,0,0]=3 5309 B16R1.10817 CC(C)NCCOC(C)c1ccccc1F 34a_100000224655_200000741388 [0,1,0,0,0,1|1,0,1]=4 5310 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 11a_100000701111_100000188424 [0,1,0,0,0,1|1,0,0]=3 5311 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 1626a_100000701111_100000188424 [0,1,0,0,0,1|1,0,0]=3 5312 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 240690a_100000701111_100000188424 [0,1,0,0,0,1|1,0,0]=3 5313 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 34a_200000158863_100000210206 [0,1,0,0,0,1|1,0,0]=3 5314 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 527a_100000701111_100000188424 [0,1,0,0,0,1|1,0,0]=3 5315 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Br 7a_200000158863_100000210206 [0,1,0,0,0,1|1,0,0]=3 5316 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Cl 11a_100000701111_100000185844 [0,1,0,0,0,1|1,0,0]=3 5317 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Cl 1626a_100000701111_100000185844 [0,1,0,0,0,1|1,0,0]=3 5318 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Cl 240690a_100000701111_100000185844 [0,1,0,0,0,1|1,0,0]=3 5319 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1Cl 527a_100000701111_100000185844 [0,1,0,0,0,1|1,0,0]=3 5320 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1F 11a_100000701111_100000188656 [0,1,0,0,0,1|1,0,0]=3 5321 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1F 1626a_100000701111_100000188656 [0,1,0,0,0,1|1,0,0]=3 5322 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1F 240690a_100000701111_100000188656 [0,1,0,0,0,1|1,0,0]=3 5323 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1F 527a_100000701111_100000188656 [0,1,0,0,0,1|1,0,0]=3 5324 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1I 11a_100000701111_100000187884 [0,1,0,0,0,1|1,0,0]=3 5325 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1I 1626a_100000701111_100000187884 [0,1,0,0,0,1|1,0,0]=3 5326 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1I 240690a_100000701111_100000187884 [0,1,0,0,0,1|1,0,0]=3 5327 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1I 527a_100000701111_100000187884 [0,1,0,0,0,1|1,0,0]=3 5328 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1O 240690a_100000701111_100015234032 [0,1,0,0,0,1|1,0,0]=3 5329 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1[O-] 1626a_100000701111_100009911694 [0,1,0,0,0,1|1,0,0]=3 5330 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1[O-] 240690a_100000701111_100009911694 [0,1,0,0,0,1|1,0,0]=3 5331 B16R1.10817 CC(C)OCCNC(=O)c1ccccc1[O-] 527a_100000701111_100009911694 [0,1,0,0,0,1|1,0,0]=3 5332 B16R1.10817 CC(C)OCCOC(C)c1ccccc1Br 34a_100000702211_100000211751 [0,1,0,0,0,1|1,0,1]=4 5333 B16R1.10817 CC(C)OCCOC(C)c1ccccc1Br 7a_100000702211_100000211751 [0,1,0,0,0,1|1,0,1]=4 5334 B16R1.10817 CC(C)OCCOC(C)c1ccccc1Cl 34a_100000740796_100000211751 [0,1,0,0,0,1|1,0,1]=4 5335 B16R1.10817 CC(C)OCCOC(C)c1ccccc1Cl 7a_100000211219_100000181259 [0,1,0,0,0,1|1,0,1]=4 5336 B16R1.10817 CC(C)OCCOC(C)c1ccccc1Cl 7a_100000740796_100000211751 [0,1,0,0,0,1|1,0,1]=4 5337 B16R1.10817 CC(C)OCCOC(C)c1ccccc1F 34a_100000211219_200000741388 [0,1,0,0,0,1|1,0,1]=4 5338 B16R1.10817 CC(C)OCCOC(C)c1ccccc1F 34a_100000697922_100000211751 [0,1,0,0,0,1|1,0,1]=4 5339 B16R1.10817 CC(C)OCCOC(C)c1ccccc1F 7a_100000211219_200000741388 [0,1,0,0,0,1|1,0,1]=4 5340 B16R1.10817 CC(C)OCCOC(C)c1ccccc1F 7a_100000697922_100000211751 [0,1,0,0,0,1|1,0,1]=4 5341 B16R1.10817 CC(C)OCCOC(C)c1ccccc1N 7a_100011405641_100000211751 [0,1,0,0,0,1|1,0,1]=4 5342 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1Br 62a_100000199116_100000709892 [0,1,0,0,0,1|1,1,0]=4 5343 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1Cl 62a_100000211432_100000709892 [0,1,0,0,0,1|1,1,0]=4 5344 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1Cl 62a_100000709892_100000211432 [0,1,0,0,0,1|1,1,0]=4 5345 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1F 62a_100000204681_100000709892 [0,1,0,0,0,1|1,1,0]=4 5346 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1F 62a_100000709892_100000204681 [0,1,0,0,0,1|1,1,0]=4 5347 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1O 62a_100000188908_100000709892 [0,1,0,0,0,1|1,1,0]=4 5348 B16R1.10817 CC(C)OCSCC(=O)c1ccccc1O 62a_100000709892_100000188908 [0,1,0,0,0,1|1,1,0]=4 5349 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Br 11a_100000731138_100000188424 [0,1,0,0,0,1|1,0,0]=3 5350 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Br 1626a_100000731138_100000188424 [0,1,0,0,0,1|1,0,0]=3 5351 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Br 240690a_100000731138_100000188424 [0,1,0,0,0,1|1,0,0]=3 5352 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Br 527a_100000731138_100000188424 [0,1,0,0,0,1|1,0,0]=3 5353 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Cl 11a_100000731138_100000185844 [0,1,0,0,0,1|1,0,0]=3 5354 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Cl 1626a_100000731138_100000185844 [0,1,0,0,0,1|1,0,0]=3 5355 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Cl 240690a_100000731138_100000185844 [0,1,0,0,0,1|1,0,0]=3 5356 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1Cl 527a_100000731138_100000185844 [0,1,0,0,0,1|1,0,0]=3 5357 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1F 11a_100000731138_100000188656 [0,1,0,0,0,1|1,0,0]=3 5358 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1F 1626a_100000731138_100000188656 [0,1,0,0,0,1|1,0,0]=3 5359 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1F 240690a_100000731138_100000188656 [0,1,0,0,0,1|1,0,0]=3 5360 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1F 527a_100000731138_100000188656 [0,1,0,0,0,1|1,0,0]=3 5361 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1I 11a_100000731138_100000187884 [0,1,0,0,0,1|1,0,0]=3 5362 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1I 1626a_100000731138_100000187884 [0,1,0,0,0,1|1,0,0]=3 5363 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1I 240690a_100000731138_100000187884 [0,1,0,0,0,1|1,0,0]=3 5364 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1I 527a_100000731138_100000187884 [0,1,0,0,0,1|1,0,0]=3 5365 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1O 240690a_100000731138_100015234032 [0,1,0,0,0,1|1,0,0]=3 5366 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1[O-] 1626a_100000731138_100009911694 [0,1,0,0,0,1|1,0,0]=3 5367 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1[O-] 240690a_100000731138_100009911694 [0,1,0,0,0,1|1,0,0]=3 5368 B16R1.10817 CC(C)SCCNC(=O)c1ccccc1[O-] 527a_100000731138_100009911694 [0,1,0,0,0,1|1,0,0]=3 5369 B16R1.10817 CC(C)SCCOC(C)c1ccccc1Br 34a_100000702211_100000730970 [0,1,0,0,0,1|1,0,1]=4 5370 B16R1.10817 CC(C)SCCOC(C)c1ccccc1Br 7a_100000702211_100000730970 [0,1,0,0,0,1|1,0,1]=4 5371 B16R1.10817 CC(C)SCCOC(C)c1ccccc1Cl 34a_100000740796_100000730970 [0,1,0,0,0,1|1,0,1]=4 5372 B16R1.10817 CC(C)SCCOC(C)c1ccccc1Cl 7a_100000740796_100000730970 [0,1,0,0,0,1|1,0,1]=4 5373 B16R1.10817 CC(C)SCCOC(C)c1ccccc1Cl 7a_200011212901_100000181259 [0,1,0,0,0,1|1,0,1]=4 5374 B16R1.10817 CC(C)SCCOC(C)c1ccccc1F 34a_100000697922_100000730970 [0,1,0,0,0,1|1,0,1]=4 5375 B16R1.10817 CC(C)SCCOC(C)c1ccccc1F 34a_200011212901_200000741388 [0,1,0,0,0,1|1,0,1]=4 5376 B16R1.10817 CC(C)SCCOC(C)c1ccccc1F 7a_100000697922_100000730970 [0,1,0,0,0,1|1,0,1]=4 5377 B16R1.10817 CC(C)SCCOC(C)c1ccccc1F 7a_200011212901_200000741388 [0,1,0,0,0,1|1,0,1]=4 5378 B16R1.10817 CC(C)SCCOC(C)c1ccccc1N 7a_100011405641_100000730970 [0,1,0,0,0,1|1,0,1]=4 5379 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1Br 62a_100000199116_100012276601 [0,1,0,0,0,1|1,1,0]=4 5380 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1Cl 62a_100000211432_100012276601 [0,1,0,0,0,1|1,1,0]=4 5381 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1Cl 62a_100012276601_100000211432 [0,1,0,0,0,1|1,1,0]=4 5382 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1F 62a_100000204681_100012276601 [0,1,0,0,0,1|1,1,0]=4 5383 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1F 62a_100012276601_100000204681 [0,1,0,0,0,1|1,1,0]=4 5384 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1O 62a_100000188908_100012276601 [0,1,0,0,0,1|1,1,0]=4 5385 B16R1.10817 CC(O)CCSCC(=O)c1ccccc1O 62a_100012276601_100000188908 [0,1,0,0,0,1|1,1,0]=4 5386 B16R1.10817 CC(O)CNCCC(=O)c1ccccc1F 2230a_100000210904_100000086012 [0,1,0,0,0,1|2,0,0]=4 5387 B16R1.10817 CC(O)CSCCC(=O)c1ccccc1F 62a_100000086012_100011218427 [0,1,0,0,0,1|2,0,0]=4 5388 B16R1.10817 CC(O)CSCCC(=O)c1ccccc1F 62a_100011218427_100000086012 [0,1,0,0,0,1|2,0,0]=4 5389 B16R1.10817 CC(O)CSCCC(=O)c1ccccc1O 62a_100011218427_100009873196 [0,1,0,0,0,1|2,0,0]=4 5390 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1Br 240690a_102531767803_100000188424 [0,1,0,0,0,1|2,0,0]=4 5391 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1Br 527a_102531767803_100000188424 [0,1,0,0,0,1|2,0,0]=4 5392 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1Cl 240690a_102531767803_100000185844 [0,1,0,0,0,1|2,0,0]=4 5393 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1Cl 527a_102531767803_100000185844 [0,1,0,0,0,1|2,0,0]=4 5394 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1F 240690a_102531767803_100000188656 [0,1,0,0,0,1|2,0,0]=4 5395 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1F 527a_102531767803_100000188656 [0,1,0,0,0,1|2,0,0]=4 5396 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1I 240690a_102531767803_100000187884 [0,1,0,0,0,1|2,0,0]=4 5397 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1I 527a_102531767803_100000187884 [0,1,0,0,0,1|2,0,0]=4 5398 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1O 240690a_102531767803_100015234032 [0,1,0,0,0,1|2,0,0]=4 5399 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1[O-] 240690a_102531767803_100009911694 [0,1,0,0,0,1|2,0,0]=4 5400 B16R1.10817 CN(C)CCCNC(=O)c1ccccc1[O-] 527a_102531767803_100009911694 [0,1,0,0,0,1|2,0,0]=4 5401 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1Br 22a_100000738145_100000188424 [0,1,0,0,0,1|2,0,0]=4 5402 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1Cl 22a_100000738145_100000185844 [0,1,0,0,0,1|2,0,0]=4 5403 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1F 22a_100000738145_100000188656 [0,1,0,0,0,1|2,0,0]=4 5404 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1I 22a_100000738145_100000187884 [0,1,0,0,0,1|2,0,0]=4 5405 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1O 22a_100000738145_100015234032 [0,1,0,0,0,1|2,0,0]=4 5406 B16R1.10817 CN(C)CCNNC(=O)c1ccccc1[O-] 22a_100000738145_100009911694 [0,1,0,0,0,1|2,0,0]=4 5407 B16R1.10817 CN(C)CCSCC(=O)c1ccccc1Br 62a_100000199116_100000755713 [0,1,0,0,0,1|1,1,0]=4 5408 B16R1.10817 CN(C)CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000755713 [0,1,0,0,0,1|1,1,0]=4 5409 B16R1.10817 CN(C)CCSCC(=O)c1ccccc1F 62a_100000204681_100000755713 [0,1,0,0,0,1|1,1,0]=4 5410 B16R1.10817 CN(C)CCSCC(=O)c1ccccc1O 62a_100000188908_100000755713 [0,1,0,0,0,1|1,1,0]=4 5411 B16R1.10817 C[C@@H](N)CCOCC(=O)c1ccccc1Br 34a_100000706166_100000199116 [0,1,0,0,0,1|1,0,0]=3 5412 B16R1.10817 C[C@@H](N)CCOCC(=O)c1ccccc1Cl 34a_100000706166_100000211432 [0,1,0,0,0,1|1,0,0]=3 5413 B16R1.10817 C[C@@H](N)CCOCC(=O)c1ccccc1F 34a_100000706166_100000204681 [0,1,0,0,0,1|1,0,0]=3 5414 B16R1.10817 C[C@@H](O)CSCCC(=O)c1ccccc1F 62a_100000086012_100009817552 [0,1,0,0,0,1|2,0,0]=4 5415 B16R1.10817 C[C@@H](O)CSCCC(=O)c1ccccc1F 62a_100009817552_100000086012 [0,1,0,0,0,1|2,0,0]=4 5416 B16R1.10817 C[C@@H](O)CSCCC(=O)c1ccccc1O 62a_100009817552_100009873196 [0,1,0,0,0,1|2,0,0]=4 5417 B16R1.10817 Cc1ccccc1C(=O)CCCCC(C)C 1458a_100000212026_100011216152 [0,1,0,0,0,1|1,0,0]=3 5418 B16R1.10817 Cc1ccccc1C(=O)CNCCC(C)O 2230a_200000755665_100000741374 [0,1,0,0,0,1|2,0,0]=4 5419 B16R1.10817 Cc1ccccc1C(=O)COCCC(C)Br 34a_100009893172_100000741374 [0,1,0,0,0,1|1,0,0]=3 5420 B16R1.10817 Cc1ccccc1C(=O)COCCC(C)C 34a_100000210254_100000741374 [0,1,0,0,0,1|0,0,0]=2 5421 B16R1.10817 Cc1ccccc1C(=O)COCCC(C)C 7a_100000210254_100000741374 [0,1,0,0,0,1|0,0,0]=2 5422 B16R1.10817 Cc1ccccc1C(=O)COCCC(F)F 34a_100103093639_100000741374 [0,1,0,0,0,1|2,0,0]=4 5423 B16R1.10817 Cc1ccccc1C(=O)COCC[C@@H](C)N 34a_100000706166_100000741374 [0,1,0,0,0,1|1,0,0]=3 5424 B16R1.10817 Cc1ccccc1C(=O)CSCCC(C)C 62a_100000210312_100000741374 [0,1,0,0,0,1|0,1,0]=3 5425 B16R1.10817 Cc1ccccc1C(=O)CSCCC(C)C 62a_100000741374_100000210312 [0,1,0,0,0,1|0,1,0]=3 5426 B16R1.10817 Cc1ccccc1C(=O)CSCCC(C)O 62a_100000741374_100012276601 [0,1,0,0,0,1|1,1,0]=4 5427 B16R1.10817 Cc1ccccc1C(=O)CSCCC(C)O 62a_100012276601_100000741374 [0,1,0,0,0,1|1,1,0]=4 5428 B16R1.10817 Cc1ccccc1C(=O)CSCCN(C)C 62a_100000741374_100000755713 [0,1,0,0,0,1|1,1,0]=4 5429 B16R1.10817 Cc1ccccc1C(=O)CSCOC(C)C 62a_100000709892_100000741374 [0,1,0,0,0,1|1,1,0]=4 5430 B16R1.10817 Cc1ccccc1C(=O)CSCOC(C)C 62a_100000741374_100000709892 [0,1,0,0,0,1|1,1,0]=4 5431 B16R1.10817 Cc1ccccc1C(=O)NCCCC(C)C 11a_200000737386_100000212026 [0,1,0,0,0,1|1,0,0]=3 5432 B16R1.10817 Cc1ccccc1C(=O)NCCCC(C)C 1626a_200000737386_100000212026 [0,1,0,0,0,1|1,0,0]=3 5433 B16R1.10817 Cc1ccccc1C(=O)NCCCC(C)C 240690a_200000737386_100000212026 [0,1,0,0,0,1|1,0,0]=3 5434 B16R1.10817 Cc1ccccc1C(=O)NCCCC(C)C 527a_200000737386_100000212026 [0,1,0,0,0,1|1,0,0]=3 5435 B16R1.10817 Cc1ccccc1C(=O)NCCCN(C)C 240690a_102531767803_100000212026 [0,1,0,0,0,1|2,0,0]=4 5436 B16R1.10817 Cc1ccccc1C(=O)NCCCN(C)C 527a_102531767803_100000212026 [0,1,0,0,0,1|2,0,0]=4 5437 B16R1.10817 Cc1ccccc1C(=O)NCCOC(C)C 11a_100000701111_100000212026 [0,1,0,0,0,1|1,0,0]=3 5438 B16R1.10817 Cc1ccccc1C(=O)NCCOC(C)C 1626a_100000701111_100000212026 [0,1,0,0,0,1|1,0,0]=3 5439 B16R1.10817 Cc1ccccc1C(=O)NCCOC(C)C 240690a_100000701111_100000212026 [0,1,0,0,0,1|1,0,0]=3 5440 B16R1.10817 Cc1ccccc1C(=O)NCCOC(C)C 527a_100000701111_100000212026 [0,1,0,0,0,1|1,0,0]=3 5441 B16R1.10817 Cc1ccccc1C(=O)NCCSC(C)C 11a_100000731138_100000212026 [0,1,0,0,0,1|1,0,0]=3 5442 B16R1.10817 Cc1ccccc1C(=O)NCCSC(C)C 1626a_100000731138_100000212026 [0,1,0,0,0,1|1,0,0]=3 5443 B16R1.10817 Cc1ccccc1C(=O)NCCSC(C)C 240690a_100000731138_100000212026 [0,1,0,0,0,1|1,0,0]=3 5444 B16R1.10817 Cc1ccccc1C(=O)NCCSC(C)C 527a_100000731138_100000212026 [0,1,0,0,0,1|1,0,0]=3 5445 B16R1.10817 Cc1ccccc1C(=O)NN=CCC(C)C 4a_100000181371_100000185833 [0,1,0,0,0,1|1,0,1]=4 5446 B16R1.10817 Cc1ccccc1C(=O)NNCCN(C)C 22a_100000738145_100000212026 [0,1,0,0,0,1|2,0,0]=4 5447 B16R1.10817 Cc1ccccc1C(C)OCCCC(C)C 34a_100000742021_100011214892 [0,1,0,0,0,1|1,0,1]=4 5448 B16R1.10817 Cc1ccccc1C(C)OCCCC(C)C 7a_100000742021_100011214892 [0,1,0,0,0,1|1,0,1]=4 5449 B16R1.10817 Cc1ccccc1C(C)OCCOC(C)C 34a_100000742021_100000211751 [0,1,0,0,0,1|1,0,1]=4 5450 B16R1.10817 Cc1ccccc1C(C)OCCOC(C)C 7a_100000742021_100000211751 [0,1,0,0,0,1|1,0,1]=4 5451 B16R1.10817 Cc1ccccc1C(C)OCCSC(C)C 34a_100000742021_100000730970 [0,1,0,0,0,1|1,0,1]=4 5452 B16R1.10817 Cc1ccccc1C(C)OCCSC(C)C 7a_100000742021_100000730970 [0,1,0,0,0,1|1,0,1]=4 5453 B16R1.10817 O=C(COCCC(F)F)c1ccccc1Br 34a_100103093639_100000199116 [0,1,0,0,0,1|2,0,0]=4 5454 B16R1.10817 O=C(COCCC(F)F)c1ccccc1Cl 34a_100103093639_100000211432 [0,1,0,0,0,1|2,0,0]=4 5455 B16R1.10817 O=C(COCCC(F)F)c1ccccc1F 34a_100103093639_100000204681 [0,1,0,0,0,1|2,0,0]=4 5456 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)Br 34a_100000764851_100000212080 [0,1,0,0,0,1|0,0,2]=4 5457 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)C 34a_100000764851_100000739480 [0,1,0,0,0,1|0,0,2]=4 5458 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)Cl 34a_100000764851_100000211444 [0,1,0,0,0,1|0,0,2]=4 5459 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000730704 [0,1,0,0,0,1|0,0,2]=4 5460 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)F 34a_100000764851_100000215616 [0,1,0,0,0,1|0,0,2]=4 5461 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000730704 [0,1,0,0,0,1|0,0,2]=4 5462 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000730704 [0,1,0,0,0,1|0,0,2]=4 5463 B16R1.11186 C=C(C)CCOCC(=O)c1cccc(c1)O 34a_100000764851_100009813753 [0,1,0,0,0,1|0,0,2]=4 5464 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)Br)C 34a_100000753907_100000212080 [0,1,0,0,0,1|0,0,2]=4 5465 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)C)C 34a_100000753907_100000739480 [0,1,0,0,0,1|0,0,2]=4 5466 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)Cl)C 34a_100000753907_100000211444 [0,1,0,0,0,1|0,0,2]=4 5467 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)Cl)C 7a_200011592804_100000761012 [0,1,0,0,0,1|0,0,2]=4 5468 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)F)C 34a_100000753907_100000215616 [0,1,0,0,0,1|0,0,2]=4 5469 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)F)C 34a_100011592800_100000761012 [0,1,0,0,0,1|0,0,2]=4 5470 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)F)C 7a_100011592800_100000761012 [0,1,0,0,0,1|0,0,2]=4 5471 B16R1.11186 CC(=CCOCC(=O)c1cccc(c1)O)C 34a_100000753907_100009813753 [0,1,0,0,0,1|0,0,2]=4 5472 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)Br 34a_100000759926_100000212080 [0,1,0,0,0,1|1,0,1]=4 5473 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)Br 7a_100000759926_100000212080 [0,1,0,0,0,1|1,0,1]=4 5474 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)C 34a_100000759926_100000739480 [0,1,0,0,0,1|1,0,1]=4 5475 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)C 7a_100000759926_100000739480 [0,1,0,0,0,1|1,0,1]=4 5476 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)Cl 34a_100000759926_100000211444 [0,1,0,0,0,1|1,0,1]=4 5477 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)Cl 7a_100000759926_100000211444 [0,1,0,0,0,1|1,0,1]=4 5478 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000053229 [0,1,0,0,0,1|1,0,1]=4 5479 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)F 34a_100000759926_100000215616 [0,1,0,0,0,1|1,0,1]=4 5480 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000053229 [0,1,0,0,0,1|1,0,1]=4 5481 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)O 34a_100000759926_100009813753 [0,1,0,0,0,1|1,0,1]=4 5482 B16R1.11186 CC(=O)CCOCC(=O)c1cccc(c1)O 7a_100000759926_100009813753 [0,1,0,0,0,1|1,0,1]=4 5483 B16R1.11186 CC(Br)CCOCC(=O)c1cccc(c1)Br 34a_100009893172_100000212080 [0,1,0,0,0,1|1,0,0]=3 5484 B16R1.11186 CC(Br)CCOCC(=O)c1cccc(c1)Cl 34a_100009893172_100000211444 [0,1,0,0,0,1|1,0,0]=3 5485 B16R1.11186 CC(Br)CCOCC(=O)c1cccc(c1)F 34a_100009893172_100000215616 [0,1,0,0,0,1|1,0,0]=3 5486 B16R1.11186 CC(Br)CCOCC(=O)c1cccc(c1)O 34a_100009893172_100009813753 [0,1,0,0,0,1|1,0,0]=3 5487 B16R1.11186 CC(C)CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000185833 [0,1,0,0,0,1|1,0,1]=4 5488 B16R1.11186 CC(C)CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000185833 [0,1,0,0,0,1|1,0,1]=4 5489 B16R1.11186 CC(C)CC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000185833 [0,1,0,0,0,1|1,0,1]=4 5490 B16R1.11186 CC(C)CC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000185833 [0,1,0,0,0,1|1,0,1]=4 5491 B16R1.11186 CC(C)CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011216152 [0,1,0,0,0,1|1,0,0]=3 5492 B16R1.11186 CC(C)CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011216152 [0,1,0,0,0,1|1,0,0]=3 5493 B16R1.11186 CC(C)CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100011216152 [0,1,0,0,0,1|1,0,0]=3 5494 B16R1.11186 CC(C)CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100011216152 [0,1,0,0,0,1|1,0,0]=3 5495 B16R1.11186 CC(C)CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100011216152 [0,1,0,0,0,1|1,0,0]=3 5496 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Br 11a_200000737386_100000210664 [0,1,0,0,0,1|1,0,0]=3 5497 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Br 1626a_200000737386_100000210664 [0,1,0,0,0,1|1,0,0]=3 5498 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Br 240690a_200000737386_100000210664 [0,1,0,0,0,1|1,0,0]=3 5499 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Br 527a_200000737386_100000210664 [0,1,0,0,0,1|1,0,0]=3 5500 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Cl 11a_200000737386_100000210390 [0,1,0,0,0,1|1,0,0]=3 5501 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Cl 1626a_200000737386_100000210390 [0,1,0,0,0,1|1,0,0]=3 5502 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Cl 240690a_200000737386_100000210390 [0,1,0,0,0,1|1,0,0]=3 5503 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)Cl 527a_200000737386_100000210390 [0,1,0,0,0,1|1,0,0]=3 5504 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)F 11a_200000737386_100000210950 [0,1,0,0,0,1|1,0,0]=3 5505 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)F 1626a_200000737386_100000210950 [0,1,0,0,0,1|1,0,0]=3 5506 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)F 240690a_200000737386_100000210950 [0,1,0,0,0,1|1,0,0]=3 5507 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)F 527a_200000737386_100000210950 [0,1,0,0,0,1|1,0,0]=3 5508 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)I 11a_200000737386_100000184098 [0,1,0,0,0,1|1,0,0]=3 5509 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)I 1626a_200000737386_100000184098 [0,1,0,0,0,1|1,0,0]=3 5510 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)I 240690a_200000737386_100000184098 [0,1,0,0,0,1|1,0,0]=3 5511 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)I 527a_200000737386_100000184098 [0,1,0,0,0,1|1,0,0]=3 5512 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)O 240690a_200000737386_100000183914 [0,1,0,0,0,1|1,0,0]=3 5513 B16R1.11186 CC(C)CCCNC(=O)c1cccc(c1)O 527a_200000737386_100000183914 [0,1,0,0,0,1|1,0,0]=3 5514 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)Br 34a_100000246457_100011214892 [0,1,0,0,0,1|1,0,1]=4 5515 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)Br 7a_100000246457_100011214892 [0,1,0,0,0,1|1,0,1]=4 5516 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)F 34a_100000744526_100011214892 [0,1,0,0,0,1|1,0,1]=4 5517 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)F 7a_100000744526_100011214892 [0,1,0,0,0,1|1,0,1]=4 5518 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)I 34a_100013085317_100011214892 [0,1,0,0,0,1|1,0,1]=4 5519 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)I 7a_100013085317_100011214892 [0,1,0,0,0,1|1,0,1]=4 5520 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)N 34a_100011217120_100011214892 [0,1,0,0,0,1|1,0,1]=4 5521 B16R1.11186 CC(C)CCCOC(C)c1cccc(c1)N 7a_100011217120_100011214892 [0,1,0,0,0,1|1,0,1]=4 5522 B16R1.11186 CC(C)CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011214892 [0,1,0,0,0,1|1,0,1]=4 5523 B16R1.11186 CC(C)CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100011214892 [0,1,0,0,0,1|1,0,1]=4 5524 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)Br 34a_100000210254_100000212080 [0,1,0,0,0,1|0,0,0]=2 5525 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)Br 7a_100000210254_100000212080 [0,1,0,0,0,1|0,0,0]=2 5526 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)Cl 34a_100000210254_100000211444 [0,1,0,0,0,1|0,0,0]=2 5527 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)Cl 7a_100000210254_100000211444 [0,1,0,0,0,1|0,0,0]=2 5528 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210626 [0,1,0,0,0,1|0,0,0]=2 5529 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)F 34a_100000210254_100000215616 [0,1,0,0,0,1|0,0,0]=2 5530 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210312 [0,1,0,0,0,1|0,0,0]=2 5531 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210626 [0,1,0,0,0,1|0,0,0]=2 5532 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)O 34a_100000210254_100009813753 [0,1,0,0,0,1|0,0,0]=2 5533 B16R1.11186 CC(C)CCOCC(=O)c1cccc(c1)O 7a_100000210254_100009813753 [0,1,0,0,0,1|0,0,0]=2 5534 B16R1.11186 CC(C)CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210312 [0,1,0,0,0,1|1,0,1]=4 5535 B16R1.11186 CC(C)CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210312 [0,1,0,0,0,1|1,0,1]=4 5536 B16R1.11186 CC(C)CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210312 [0,1,0,0,0,1|1,0,1]=4 5537 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)Br 62a_100000210312_100000212080 [0,1,0,0,0,1|0,1,0]=3 5538 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210312 [0,1,0,0,0,1|0,1,0]=3 5539 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)Cl 62a_100000210312_100000211444 [0,1,0,0,0,1|0,1,0]=3 5540 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210312 [0,1,0,0,0,1|0,1,0]=3 5541 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)F 62a_100000210312_100000215616 [0,1,0,0,0,1|0,1,0]=3 5542 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210312 [0,1,0,0,0,1|0,1,0]=3 5543 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)O 62a_100000210312_100009813753 [0,1,0,0,0,1|0,1,0]=3 5544 B16R1.11186 CC(C)CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210312 [0,1,0,0,0,1|0,1,0]=3 5545 B16R1.11186 CC(C)CCSCC(=O)c1ccnc(c1)Cl 62a_100000210312_100009817076 [0,1,0,0,0,1|1,1,0]=4 5546 B16R1.11186 CC(C)CCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210312 [0,1,0,0,0,1|1,1,0]=4 5547 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 11a_100000701111_100000210664 [0,1,0,0,0,1|1,0,0]=3 5548 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 1626a_100000701111_100000210664 [0,1,0,0,0,1|1,0,0]=3 5549 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 240690a_100000701111_100000210664 [0,1,0,0,0,1|1,0,0]=3 5550 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210206 [0,1,0,0,0,1|1,0,0]=3 5551 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 527a_100000701111_100000210664 [0,1,0,0,0,1|1,0,0]=3 5552 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210206 [0,1,0,0,0,1|1,0,0]=3 5553 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Cl 11a_100000701111_100000210390 [0,1,0,0,0,1|1,0,0]=3 5554 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Cl 1626a_100000701111_100000210390 [0,1,0,0,0,1|1,0,0]=3 5555 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Cl 240690a_100000701111_100000210390 [0,1,0,0,0,1|1,0,0]=3 5556 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)Cl 527a_100000701111_100000210390 [0,1,0,0,0,1|1,0,0]=3 5557 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)F 11a_100000701111_100000210950 [0,1,0,0,0,1|1,0,0]=3 5558 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)F 1626a_100000701111_100000210950 [0,1,0,0,0,1|1,0,0]=3 5559 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)F 240690a_100000701111_100000210950 [0,1,0,0,0,1|1,0,0]=3 5560 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)F 527a_100000701111_100000210950 [0,1,0,0,0,1|1,0,0]=3 5561 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)I 11a_100000701111_100000184098 [0,1,0,0,0,1|1,0,0]=3 5562 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)I 1626a_100000701111_100000184098 [0,1,0,0,0,1|1,0,0]=3 5563 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)I 240690a_100000701111_100000184098 [0,1,0,0,0,1|1,0,0]=3 5564 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)I 527a_100000701111_100000184098 [0,1,0,0,0,1|1,0,0]=3 5565 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)O 240690a_100000701111_100000183914 [0,1,0,0,0,1|1,0,0]=3 5566 B16R1.11186 CC(C)OCCNC(=O)c1cccc(c1)O 527a_100000701111_100000183914 [0,1,0,0,0,1|1,0,0]=3 5567 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)Br 34a_100000246457_100000211751 [0,1,0,0,0,1|1,0,1]=4 5568 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)Br 7a_100000246457_100000211751 [0,1,0,0,0,1|1,0,1]=4 5569 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)F 34a_100000744526_100000211751 [0,1,0,0,0,1|1,0,1]=4 5570 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)F 7a_100000744526_100000211751 [0,1,0,0,0,1|1,0,1]=4 5571 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)I 34a_100013085317_100000211751 [0,1,0,0,0,1|1,0,1]=4 5572 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)I 7a_100013085317_100000211751 [0,1,0,0,0,1|1,0,1]=4 5573 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)N 34a_100011217120_100000211751 [0,1,0,0,0,1|1,0,1]=4 5574 B16R1.11186 CC(C)OCCOC(C)c1cccc(c1)N 7a_100011217120_100000211751 [0,1,0,0,0,1|1,0,1]=4 5575 B16R1.11186 CC(C)OCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000211751 [0,1,0,0,0,1|1,0,1]=4 5576 B16R1.11186 CC(C)OCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000211751 [0,1,0,0,0,1|1,0,1]=4 5577 B16R1.11186 CC(C)OCOCC(=O)c1cccc(c1)F 34a_100011592800_100000709892 [0,1,0,0,0,1|1,0,0]=3 5578 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000709892 [0,1,0,0,0,1|1,1,0]=4 5579 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)Br 62a_100000709892_100000212080 [0,1,0,0,0,1|1,1,0]=4 5580 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000709892 [0,1,0,0,0,1|1,1,0]=4 5581 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)Cl 62a_100000709892_100000211444 [0,1,0,0,0,1|1,1,0]=4 5582 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)F 62a_100000215616_100000709892 [0,1,0,0,0,1|1,1,0]=4 5583 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)F 62a_100000709892_100000215616 [0,1,0,0,0,1|1,1,0]=4 5584 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)O 62a_100000709892_100009813753 [0,1,0,0,0,1|1,1,0]=4 5585 B16R1.11186 CC(C)OCSCC(=O)c1cccc(c1)O 62a_100009813753_100000709892 [0,1,0,0,0,1|1,1,0]=4 5586 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Br 11a_100000731138_100000210664 [0,1,0,0,0,1|1,0,0]=3 5587 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Br 1626a_100000731138_100000210664 [0,1,0,0,0,1|1,0,0]=3 5588 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Br 240690a_100000731138_100000210664 [0,1,0,0,0,1|1,0,0]=3 5589 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Br 527a_100000731138_100000210664 [0,1,0,0,0,1|1,0,0]=3 5590 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Cl 11a_100000731138_100000210390 [0,1,0,0,0,1|1,0,0]=3 5591 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Cl 1626a_100000731138_100000210390 [0,1,0,0,0,1|1,0,0]=3 5592 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Cl 240690a_100000731138_100000210390 [0,1,0,0,0,1|1,0,0]=3 5593 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)Cl 527a_100000731138_100000210390 [0,1,0,0,0,1|1,0,0]=3 5594 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)F 11a_100000731138_100000210950 [0,1,0,0,0,1|1,0,0]=3 5595 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)F 1626a_100000731138_100000210950 [0,1,0,0,0,1|1,0,0]=3 5596 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)F 240690a_100000731138_100000210950 [0,1,0,0,0,1|1,0,0]=3 5597 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)F 527a_100000731138_100000210950 [0,1,0,0,0,1|1,0,0]=3 5598 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)I 11a_100000731138_100000184098 [0,1,0,0,0,1|1,0,0]=3 5599 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)I 1626a_100000731138_100000184098 [0,1,0,0,0,1|1,0,0]=3 5600 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)I 240690a_100000731138_100000184098 [0,1,0,0,0,1|1,0,0]=3 5601 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)I 527a_100000731138_100000184098 [0,1,0,0,0,1|1,0,0]=3 5602 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)O 240690a_100000731138_100000183914 [0,1,0,0,0,1|1,0,0]=3 5603 B16R1.11186 CC(C)SCCNC(=O)c1cccc(c1)O 527a_100000731138_100000183914 [0,1,0,0,0,1|1,0,0]=3 5604 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)Br 34a_100000246457_100000730970 [0,1,0,0,0,1|1,0,1]=4 5605 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)Br 7a_100000246457_100000730970 [0,1,0,0,0,1|1,0,1]=4 5606 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)F 34a_100000744526_100000730970 [0,1,0,0,0,1|1,0,1]=4 5607 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)F 7a_100000744526_100000730970 [0,1,0,0,0,1|1,0,1]=4 5608 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)I 34a_100013085317_100000730970 [0,1,0,0,0,1|1,0,1]=4 5609 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)I 7a_100013085317_100000730970 [0,1,0,0,0,1|1,0,1]=4 5610 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)N 34a_100011217120_100000730970 [0,1,0,0,0,1|1,0,1]=4 5611 B16R1.11186 CC(C)SCCOC(C)c1cccc(c1)N 7a_100011217120_100000730970 [0,1,0,0,0,1|1,0,1]=4 5612 B16R1.11186 CC(C)SCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000730970 [0,1,0,0,0,1|1,0,1]=4 5613 B16R1.11186 CC(C)SCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000730970 [0,1,0,0,0,1|1,0,1]=4 5614 B16R1.11186 CC(O)CCNCC(=O)c1cccc(c1)Br 2230a_200000755665_100000212080 [0,1,0,0,0,1|2,0,0]=4 5615 B16R1.11186 CC(O)CCNCC(=O)c1cccc(c1)Cl 2230a_200000755665_100000211444 [0,1,0,0,0,1|2,0,0]=4 5616 B16R1.11186 CC(O)CCNCC(=O)c1cccc(c1)F 2230a_200000755665_100000215616 [0,1,0,0,0,1|2,0,0]=4 5617 B16R1.11186 CC(O)CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100012276601 [0,1,0,0,0,1|1,0,0]=3 5618 B16R1.11186 CC(O)CCOCC(=O)c1cccc(c1)F 34a_100011592800_100012276601 [0,1,0,0,0,1|1,0,0]=3 5619 B16R1.11186 CC(O)CCOCC(=O)c1cccc(c1)F 7a_100011592800_100012276601 [0,1,0,0,0,1|1,0,0]=3 5620 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100012276601 [0,1,0,0,0,1|1,1,0]=4 5621 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)Br 62a_100012276601_100000212080 [0,1,0,0,0,1|1,1,0]=4 5622 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100012276601 [0,1,0,0,0,1|1,1,0]=4 5623 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)Cl 62a_100012276601_100000211444 [0,1,0,0,0,1|1,1,0]=4 5624 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)F 62a_100000215616_100012276601 [0,1,0,0,0,1|1,1,0]=4 5625 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)F 62a_100012276601_100000215616 [0,1,0,0,0,1|1,1,0]=4 5626 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)O 62a_100009813753_100012276601 [0,1,0,0,0,1|1,1,0]=4 5627 B16R1.11186 CC(O)CCSCC(=O)c1cccc(c1)O 62a_100012276601_100009813753 [0,1,0,0,0,1|1,1,0]=4 5628 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)Br 240690a_102531767803_100000210664 [0,1,0,0,0,1|2,0,0]=4 5629 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)Br 527a_102531767803_100000210664 [0,1,0,0,0,1|2,0,0]=4 5630 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)Cl 240690a_102531767803_100000210390 [0,1,0,0,0,1|2,0,0]=4 5631 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)Cl 527a_102531767803_100000210390 [0,1,0,0,0,1|2,0,0]=4 5632 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)F 240690a_102531767803_100000210950 [0,1,0,0,0,1|2,0,0]=4 5633 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)F 527a_102531767803_100000210950 [0,1,0,0,0,1|2,0,0]=4 5634 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)I 240690a_102531767803_100000184098 [0,1,0,0,0,1|2,0,0]=4 5635 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)I 527a_102531767803_100000184098 [0,1,0,0,0,1|2,0,0]=4 5636 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)O 240690a_102531767803_100000183914 [0,1,0,0,0,1|2,0,0]=4 5637 B16R1.11186 CN(C)CCCNC(=O)c1cccc(c1)O 527a_102531767803_100000183914 [0,1,0,0,0,1|2,0,0]=4 5638 B16R1.11186 CN(C)CCNNC(=O)c1cccc(c1)Br 22a_100000738145_100000210664 [0,1,0,0,0,1|2,0,0]=4 5639 B16R1.11186 CN(C)CCNNC(=O)c1cccc(c1)Cl 22a_100000738145_100000210390 [0,1,0,0,0,1|2,0,0]=4 5640 B16R1.11186 CN(C)CCNNC(=O)c1cccc(c1)F 22a_100000738145_100000210950 [0,1,0,0,0,1|2,0,0]=4 5641 B16R1.11186 CN(C)CCNNC(=O)c1cccc(c1)I 22a_100000738145_100000184098 [0,1,0,0,0,1|2,0,0]=4 5642 B16R1.11186 CN(C)CCNNC(=O)c1cccc(c1)O 22a_100000738145_100000183914 [0,1,0,0,0,1|2,0,0]=4 5643 B16R1.11186 CN(C)CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000755713 [0,1,0,0,0,1|1,0,0]=3 5644 B16R1.11186 CN(C)CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000755713 [0,1,0,0,0,1|1,0,0]=3 5645 B16R1.11186 CN(C)CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000755713 [0,1,0,0,0,1|1,1,0]=4 5646 B16R1.11186 CN(C)CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000755713 [0,1,0,0,0,1|1,1,0]=4 5647 B16R1.11186 CN(C)CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000755713 [0,1,0,0,0,1|1,1,0]=4 5648 B16R1.11186 CN(C)CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000755713 [0,1,0,0,0,1|1,1,0]=4 5649 B16R1.11186 C[C@@H](N)CCOCC(=O)c1cccc(c1)Br 34a_100000706166_100000212080 [0,1,0,0,0,1|1,0,0]=3 5650 B16R1.11186 C[C@@H](N)CCOCC(=O)c1cccc(c1)Cl 34a_100000706166_100000211444 [0,1,0,0,0,1|1,0,0]=3 5651 B16R1.11186 C[C@@H](N)CCOCC(=O)c1cccc(c1)F 34a_100000706166_100000215616 [0,1,0,0,0,1|1,0,0]=3 5652 B16R1.11186 C[C@@H](N)CCOCC(=O)c1cccc(c1)O 34a_100000706166_100009813753 [0,1,0,0,0,1|1,0,0]=3 5653 B16R1.11186 Cc1cccc(c1)C(=O)CCCCC(C)C 1458a_100000189346_100011216152 [0,1,0,0,0,1|1,0,0]=3 5654 B16R1.11186 Cc1cccc(c1)C(=O)CNCCC(C)O 2230a_200000755665_100000739480 [0,1,0,0,0,1|2,0,0]=4 5655 B16R1.11186 Cc1cccc(c1)C(=O)COCCC(C)Br 34a_100009893172_100000739480 [0,1,0,0,0,1|1,0,0]=3 5656 B16R1.11186 Cc1cccc(c1)C(=O)COCCC(C)C 34a_100000210254_100000739480 [0,1,0,0,0,1|0,0,0]=2 5657 B16R1.11186 Cc1cccc(c1)C(=O)COCCC(C)C 7a_100000210254_100000739480 [0,1,0,0,0,1|0,0,0]=2 5658 B16R1.11186 Cc1cccc(c1)C(=O)COCCC(F)F 34a_100103093639_100000739480 [0,1,0,0,0,1|2,0,0]=4 5659 B16R1.11186 Cc1cccc(c1)C(=O)COCC[C@@H](C)N 34a_100000706166_100000739480 [0,1,0,0,0,1|1,0,0]=3 5660 B16R1.11186 Cc1cccc(c1)C(=O)CSCCC(C)C 62a_100000210312_100000739480 [0,1,0,0,0,1|0,1,0]=3 5661 B16R1.11186 Cc1cccc(c1)C(=O)CSCCC(C)C 62a_100000739480_100000210312 [0,1,0,0,0,1|0,1,0]=3 5662 B16R1.11186 Cc1cccc(c1)C(=O)CSCCC(C)O 62a_100000739480_100012276601 [0,1,0,0,0,1|1,1,0]=4 5663 B16R1.11186 Cc1cccc(c1)C(=O)CSCCC(C)O 62a_100012276601_100000739480 [0,1,0,0,0,1|1,1,0]=4 5664 B16R1.11186 Cc1cccc(c1)C(=O)CSCCN(C)C 62a_100000739480_100000755713 [0,1,0,0,0,1|1,1,0]=4 5665 B16R1.11186 Cc1cccc(c1)C(=O)CSCOC(C)C 62a_100000709892_100000739480 [0,1,0,0,0,1|1,1,0]=4 5666 B16R1.11186 Cc1cccc(c1)C(=O)CSCOC(C)C 62a_100000739480_100000709892 [0,1,0,0,0,1|1,1,0]=4 5667 B16R1.11186 Cc1cccc(c1)C(=O)NCCCC(C)C 11a_200000737386_100000189346 [0,1,0,0,0,1|1,0,0]=3 5668 B16R1.11186 Cc1cccc(c1)C(=O)NCCCC(C)C 1626a_200000737386_100000189346 [0,1,0,0,0,1|1,0,0]=3 5669 B16R1.11186 Cc1cccc(c1)C(=O)NCCCC(C)C 240690a_200000737386_100000189346 [0,1,0,0,0,1|1,0,0]=3 5670 B16R1.11186 Cc1cccc(c1)C(=O)NCCCC(C)C 527a_200000737386_100000189346 [0,1,0,0,0,1|1,0,0]=3 5671 B16R1.11186 Cc1cccc(c1)C(=O)NCCCN(C)C 240690a_102531767803_100000189346 [0,1,0,0,0,1|2,0,0]=4 5672 B16R1.11186 Cc1cccc(c1)C(=O)NCCCN(C)C 527a_102531767803_100000189346 [0,1,0,0,0,1|2,0,0]=4 5673 B16R1.11186 Cc1cccc(c1)C(=O)NCCOC(C)C 11a_100000701111_100000189346 [0,1,0,0,0,1|1,0,0]=3 5674 B16R1.11186 Cc1cccc(c1)C(=O)NCCOC(C)C 1626a_100000701111_100000189346 [0,1,0,0,0,1|1,0,0]=3 5675 B16R1.11186 Cc1cccc(c1)C(=O)NCCOC(C)C 240690a_100000701111_100000189346 [0,1,0,0,0,1|1,0,0]=3 5676 B16R1.11186 Cc1cccc(c1)C(=O)NCCOC(C)C 527a_100000701111_100000189346 [0,1,0,0,0,1|1,0,0]=3 5677 B16R1.11186 Cc1cccc(c1)C(=O)NCCSC(C)C 11a_100000731138_100000189346 [0,1,0,0,0,1|1,0,0]=3 5678 B16R1.11186 Cc1cccc(c1)C(=O)NCCSC(C)C 1626a_100000731138_100000189346 [0,1,0,0,0,1|1,0,0]=3 5679 B16R1.11186 Cc1cccc(c1)C(=O)NCCSC(C)C 240690a_100000731138_100000189346 [0,1,0,0,0,1|1,0,0]=3 5680 B16R1.11186 Cc1cccc(c1)C(=O)NCCSC(C)C 527a_100000731138_100000189346 [0,1,0,0,0,1|1,0,0]=3 5681 B16R1.11186 Cc1cccc(c1)C(=O)NN=CCC(C)C 4a_100000189845_100000185833 [0,1,0,0,0,1|1,0,1]=4 5682 B16R1.11186 Cc1cccc(c1)C(=O)NNCCN(C)C 22a_100000738145_100000189346 [0,1,0,0,0,1|2,0,0]=4 5683 B16R1.11186 Cc1cccc(c1)C(C)OCCCC(C)C 34a_100000757818_100011214892 [0,1,0,0,0,1|1,0,1]=4 5684 B16R1.11186 Cc1cccc(c1)C(C)OCCCC(C)C 7a_100000757818_100011214892 [0,1,0,0,0,1|1,0,1]=4 5685 B16R1.11186 Cc1cccc(c1)C(C)OCCOC(C)C 34a_100000757818_100000211751 [0,1,0,0,0,1|1,0,1]=4 5686 B16R1.11186 Cc1cccc(c1)C(C)OCCOC(C)C 7a_100000757818_100000211751 [0,1,0,0,0,1|1,0,1]=4 5687 B16R1.11186 Cc1cccc(c1)C(C)OCCSC(C)C 34a_100000757818_100000730970 [0,1,0,0,0,1|1,0,1]=4 5688 B16R1.11186 Cc1cccc(c1)C(C)OCCSC(C)C 7a_100000757818_100000730970 [0,1,0,0,0,1|1,0,1]=4 5689 B16R1.11186 Cc1cccc(c1)[C@H](N)COCCC(C)C 34a_100009818812_100000210312 [0,1,0,0,0,1|1,0,1]=4 5690 B16R1.11186 O=C(COCCC(F)F)c1cccc(c1)Br 34a_100103093639_100000212080 [0,1,0,0,0,1|2,0,0]=4 5691 B16R1.11186 O=C(COCCC(F)F)c1cccc(c1)Cl 34a_100103093639_100000211444 [0,1,0,0,0,1|2,0,0]=4 5692 B16R1.11186 O=C(COCCC(F)F)c1cccc(c1)F 34a_100103093639_100000215616 [0,1,0,0,0,1|2,0,0]=4 5693 B16R1.11186 O=C(COCCC(F)F)c1cccc(c1)O 34a_100103093639_100009813753 [0,1,0,0,0,1|2,0,0]=4 5694 B16R1.12545 CC(C)(C)CC=NNC(=O)c1ccccc1 4a_100000184135_100000750564 [0,1,0,0,0,1|1,0,1]=4 5695 B16R1.12545 CC(C)(C)CCOCC(=O)c1ccccc1 7a_100000765024_100000211460 [0,1,0,0,0,1|0,0,0]=2 5696 B16R1.12545 CC(C)(C)CCOCC(=O)c1ccccn1 7a_100000765024_100000027445 [0,1,0,0,0,1|1,0,0]=3 5697 B16R1.12545 CC(C)(C)CCOCC(=O)c1ccncc1 7a_100000765024_100015248511 [0,1,0,0,0,1|1,0,0]=3 5698 B16R1.12545 CC(C)(C)CCOCC(O)c1ccccc1 7a_100000765024_100000185958 [0,1,0,0,0,1|0,0,2]=4 5699 B16R1.12545 CC(C)(C)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000755188 [0,1,0,0,0,1|1,0,1]=4 5700 B16R1.12545 CC(C)(C)CCOC[C@@H](O)c1ccccc1 7a_100000765024_100011933945 [0,1,0,0,0,1|0,0,2]=4 5701 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000755188 [0,1,0,0,0,1|0,1,0]=3 5702 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccccc1 62a_100000755188_100000211460 [0,1,0,0,0,1|0,1,0]=3 5703 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccccn1 62a_100000027445_100000755188 [0,1,0,0,0,1|1,1,0]=4 5704 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccccn1 62a_100000755188_100000027445 [0,1,0,0,0,1|1,1,0]=4 5705 B16R1.12545 CC(C)(C)CCSCC(=O)c1cccnc1 62a_100000755188_100000757877 [0,1,0,0,0,1|1,1,0]=4 5706 B16R1.12545 CC(C)(C)CCSCC(=O)c1cccnc1 62a_100000757877_100000755188 [0,1,0,0,0,1|1,1,0]=4 5707 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccncc1 62a_100000027454_100000755188 [0,1,0,0,0,1|1,1,0]=4 5708 B16R1.12545 CC(C)(C)CCSCC(=O)c1ccncc1 62a_100000755188_100000027454 [0,1,0,0,0,1|1,1,0]=4 5709 B16R1.12545 CC(C)(C)CCSCS(=O)c1ccccc1 62a_100000755188_100000031784 [0,1,0,0,0,1|1,1,0]=4 5710 B16R1.12545 CC(C)(C)CNCCC(=O)c1ccccc1 2230a_100000743828_100000750707 [0,1,0,0,0,1|1,0,0]=3 5711 B16R1.12545 CC(C)(C)CNCCS(=O)c1ccccc1 2230a_100000743828_100000740319 [0,1,0,0,0,1|2,0,0]=4 5712 B16R1.12545 CC(C)(C)CSCCC(=O)c1ccccc1 62a_100000750707_100011219605 [0,1,0,0,0,1|1,0,0]=3 5713 B16R1.12545 CC(C)(C)CSCCC(=O)c1ccccc1 62a_100011219605_100000750707 [0,1,0,0,0,1|1,0,0]=3 5714 B16R1.12545 CC(C)(C)CSCCS(=O)c1ccccc1 62a_100011219605_100000740319 [0,1,0,0,0,1|2,0,0]=4 5715 B16R1.12545 CC(C)(C)CSCOC(=O)c1ccccc1 62a_100000073877_100011219605 [0,1,0,0,0,1|0,0,0]=2 5716 B16R1.12545 CC(C)(C)CSCOC(=O)c1ccccc1 62a_100011219605_100000073877 [0,1,0,0,0,1|0,0,0]=2 5717 B16R1.12545 CC(C)(C)NCCCC(=O)c1ccccc1 2230a_100000715429_100000211006 [0,1,0,0,0,1|1,0,0]=3 5718 B16R1.12545 CC(C)(C)OCCCC(=O)c1ccccc1 7a_100015890283_100000211006 [0,1,0,0,0,1|1,0,0]=3 5719 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 11a_100000747557_100000185807 [0,1,0,0,0,1|1,0,0]=3 5720 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 1626a_100000747557_100000185807 [0,1,0,0,0,1|1,0,0]=3 5721 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 240690a_100000747557_100000185807 [0,1,0,0,0,1|1,0,0]=3 5722 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000210625 [0,1,0,0,0,1|1,0,0]=3 5723 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 527a_100000747557_100000185807 [0,1,0,0,0,1|1,0,0]=3 5724 B16R1.12545 CC(C)(C)OCCNC(=O)c1ccccc1 7a_100015890283_200011215302 [0,1,0,0,0,1|1,0,0]=3 5725 B16R1.12545 CC(C)(C)OCCOC(=O)c1ccccc1 34a_100015890283_100009812718 [0,1,0,0,0,1|0,0,0]=2 5726 B16R1.12545 CC(C)(C)OCCOC(=O)c1ccccc1 7a_100015890283_100000184176 [0,1,0,0,0,1|0,0,0]=2 5727 B16R1.12545 CC(C)(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000211941 [0,1,0,0,0,1|1,0,0]=3 5728 B16R1.12545 CC(C)(C)SCCCC(=O)c1ccccc1 62a_100000211941_100000211006 [0,1,0,0,0,1|1,0,0]=3 5729 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 11a_100000689375_100000185807 [0,1,0,0,0,1|1,0,0]=3 5730 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 1626a_100000689375_100000185807 [0,1,0,0,0,1|1,0,0]=3 5731 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 240690a_100000689375_100000185807 [0,1,0,0,0,1|1,0,0]=3 5732 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 527a_100000689375_100000185807 [0,1,0,0,0,1|1,0,0]=3 5733 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 62a_100000211941_200011215302 [0,1,0,0,0,1|1,0,0]=3 5734 B16R1.12545 CC(C)(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000211941 [0,1,0,0,0,1|1,0,0]=3 5735 B16R1.12545 CC(C)(C)SCCOC(=O)c1ccccc1 62a_100000211941_100009812718 [0,1,0,0,0,1|0,0,0]=2 5736 B16R1.12545 CC(C)(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000211941 [0,1,0,0,0,1|0,0,0]=2 5737 B16R1.12545 CC(C)(F)CNCCC(=O)c1ccccc1 2230a_100020643315_100000750707 [0,1,0,0,0,1|1,0,0]=3 5738 B16R1.12545 CC(C)(F)CNCCS(=O)c1ccccc1 2230a_100020643315_100000740319 [0,1,0,0,0,1|2,0,0]=4 5739 B16R1.12545 CC(C)(F)CSCCC(=O)c1ccccc1 62a_100000750707_100011997219 [0,1,0,0,0,1|1,0,0]=3 5740 B16R1.12545 CC(C)(F)CSCCC(=O)c1ccccc1 62a_100011997219_100000750707 [0,1,0,0,0,1|1,0,0]=3 5741 B16R1.12545 CC(C)(F)CSCCS(=O)c1ccccc1 62a_100011997219_100000740319 [0,1,0,0,0,1|2,0,0]=4 5742 B16R1.12545 CC(C)(F)CSCOC(=O)c1ccccc1 62a_100000073877_100011997219 [0,1,0,0,0,1|0,0,0]=2 5743 B16R1.12545 CC(C)(F)CSCOC(=O)c1ccccc1 62a_100011997219_100000073877 [0,1,0,0,0,1|0,0,0]=2 5744 B16R1.12545 CC(C)(O)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000702414 [0,1,0,0,0,1|1,0,1]=4 5745 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccccc1 62a_100000211460_100000702414 [0,1,0,0,0,1|0,1,0]=3 5746 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccccc1 62a_100000702414_100000211460 [0,1,0,0,0,1|0,1,0]=3 5747 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccccn1 62a_100000027445_100000702414 [0,1,0,0,0,1|1,1,0]=4 5748 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccccn1 62a_100000702414_100000027445 [0,1,0,0,0,1|1,1,0]=4 5749 B16R1.12545 CC(C)(O)CCSCC(=O)c1cccnc1 62a_100000702414_100000757877 [0,1,0,0,0,1|1,1,0]=4 5750 B16R1.12545 CC(C)(O)CCSCC(=O)c1cccnc1 62a_100000757877_100000702414 [0,1,0,0,0,1|1,1,0]=4 5751 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccncc1 62a_100000027454_100000702414 [0,1,0,0,0,1|1,1,0]=4 5752 B16R1.12545 CC(C)(O)CCSCC(=O)c1ccncc1 62a_100000702414_100000027454 [0,1,0,0,0,1|1,1,0]=4 5753 B16R1.12545 CC(C)(O)CCSCS(=O)c1ccccc1 62a_100000702414_100000031784 [0,1,0,0,0,1|1,1,0]=4 5754 B16R1.12545 CC(C)(O)CNCCC(=O)c1ccccc1 2230a_100000751335_100000750707 [0,1,0,0,0,1|1,0,0]=3 5755 B16R1.12545 CC(C)(O)CNCCS(=O)c1ccccc1 2230a_100000751335_100000740319 [0,1,0,0,0,1|2,0,0]=4 5756 B16R1.12545 CC(C)(O)CSCCC(=O)c1ccccc1 62a_100000750707_100000764493 [0,1,0,0,0,1|1,0,0]=3 5757 B16R1.12545 CC(C)(O)CSCCC(=O)c1ccccc1 62a_100000764493_100000750707 [0,1,0,0,0,1|1,0,0]=3 5758 B16R1.12545 CC(C)(O)CSCCS(=O)c1ccccc1 62a_100000764493_100000740319 [0,1,0,0,0,1|2,0,0]=4 5759 B16R1.12545 CC(C)(O)CSCOC(=O)c1ccccc1 62a_100000073877_100000764493 [0,1,0,0,0,1|0,0,0]=2 5760 B16R1.12545 CC(C)(O)CSCOC(=O)c1ccccc1 62a_100000764493_100000073877 [0,1,0,0,0,1|0,0,0]=2 5761 B16R1.12545 CC(COCCC(C)(C)C)c1ccccc1 34a_100011215166_100000755188 [0,1,0,0,0,1|1,0,1]=4 5762 B16R1.12545 CC(COCCC(C)(C)C)c1ccccc1 7a_100000765024_100000756946 [0,1,0,0,0,1|1,0,1]=4 5763 B16R1.12545 CC(COCCC(C)(C)C)c1ccccc1 7a_100011215166_100000755188 [0,1,0,0,0,1|1,0,1]=4 5764 B16R1.12545 CC(COCCC(C)(C)O)c1ccccc1 34a_100011215166_100000702414 [0,1,0,0,0,1|1,0,1]=4 5765 B16R1.12545 CC(COCCC(C)(C)O)c1ccccc1 7a_100011215166_100000702414 [0,1,0,0,0,1|1,0,1]=4 5766 B16R1.12545 CC(OCCOC(C)(C)C)c1ccccc1 34a_100000693234_100000211855 [0,1,0,0,0,1|1,0,1]=4 5767 B16R1.12545 CC(OCCOC(C)(C)C)c1ccccc1 7a_100000693234_100000230085 [0,1,0,0,0,1|1,0,1]=4 5768 B16R1.12545 CS(=O)(=O)CCOCC(=O)c1ccccc1 7a_100000211924_100000211460 [0,1,0,0,0,1|2,0,0]=4 5769 B16R1.12545 C[C@@H](OCCCC(C)(C)O)c1ccccc1 34a_100000761318_100009888830 [0,1,0,0,0,1|1,0,1]=4 5770 B16R1.12545 C[C@@H](OCCCC(C)(C)O)c1ccccc1 7a_100000761318_100009888830 [0,1,0,0,0,1|1,0,1]=4 5771 B16R1.12545 C[N+](C)(C)CCOCC(=O)c1ccccc1 7a_200020618287_100000211460 [0,1,0,0,0,1|1,0,0]=3 5772 B16R1.12545 C[N+](C)(C)CCOCC(=O)c1ccccn1 7a_200020618287_100000027445 [0,1,0,0,0,1|2,0,0]=4 5773 B16R1.12545 C[N+](C)(C)CCOCC(=O)c1ccncc1 7a_200020618287_100015248511 [0,1,0,0,0,1|2,0,0]=4 5774 B16R1.12545 C[N+](C)(C)CCSCC(=O)c1ccccc1 62a_100000085578_100000211460 [0,1,0,0,0,1|1,1,0]=4 5775 B16R1.12545 C[N+](C)(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000085578 [0,1,0,0,0,1|1,1,0]=4 5776 B16R1.12545 C[N+](C)(C)CSCCC(=O)c1ccccc1 62a_100000750707_200000036245 [0,1,0,0,0,1|2,0,0]=4 5777 B16R1.12545 C[N+](C)(C)CSCCC(=O)c1ccccc1 62a_200000036245_100000750707 [0,1,0,0,0,1|2,0,0]=4 5778 B16R1.12545 C[N+](C)(C)CSCOC(=O)c1ccccc1 62a_100000073877_200000036245 [0,1,0,0,0,1|1,0,0]=3 5779 B16R1.12545 C[N+](C)(C)CSCOC(=O)c1ccccc1 62a_200000036245_100000073877 [0,1,0,0,0,1|1,0,0]=3 5780 B16R1.12545 C[Si](C)(C)CCCNC(=O)c1ccccc1 1626a_100000725946_100000185807 [0,1,0,0,0,1|1,1,0]=4 5781 B16R1.12545 C[Si](C)(C)CCCNC(=O)c1ccccc1 240690a_100000725946_100000185807 [0,1,0,0,0,1|1,1,0]=4 5782 B16R1.12545 C[Si](C)(C)CCCNC(=O)c1ccccc1 527a_100000725946_100000185807 [0,1,0,0,0,1|1,1,0]=4 5783 B16R1.12545 C[Si](C)(C)CCOCC(=O)c1ccccc1 1458a_100000185807_100000032501 [0,1,0,0,0,1|0,1,0]=3 5784 B16R1.12545 C[Si](C)(C)CCOCC(=O)c1ccccc1 7a_100000039746_100000211460 [0,1,0,0,0,1|0,1,0]=3 5785 B16R1.12545 C[Si](C)(C)CCOCC(=O)c1ccccn1 7a_100000039746_100000027445 [0,1,0,0,0,1|1,1,0]=4 5786 B16R1.12545 C[Si](C)(C)CCOCC(=O)c1ccncc1 7a_100000039746_100015248511 [0,1,0,0,0,1|1,1,0]=4 5787 B16R1.12545 C[Si](C)(C)CCSCC(=O)c1ccccc1 62a_100000211460_200000733723 [0,1,0,0,0,1|0,2,0]=4 5788 B16R1.12545 C[Si](C)(C)CCSCC(=O)c1ccccc1 62a_200000733723_100000211460 [0,1,0,0,0,1|0,2,0]=4 5789 B16R1.12545 C[Si](C)(C)CSCCC(=O)c1ccccc1 62a_100000037933_100000750707 [0,1,0,0,0,1|1,1,0]=4 5790 B16R1.12545 C[Si](C)(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000037933 [0,1,0,0,0,1|1,1,0]=4 5791 B16R1.12545 C[Si](C)(C)CSCOC(=O)c1ccccc1 62a_100000037933_100000073877 [0,1,0,0,0,1|0,1,0]=3 5792 B16R1.12545 C[Si](C)(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000037933 [0,1,0,0,0,1|0,1,0]=3 5793 B16R1.12545 O=C(OCCOC(F)(F)F)c1ccccc1 7a_100000025465_200000243211 [0,1,0,0,0,1|2,0,0]=4 5794 B16R1.12545 O=C(OCCSC(F)(F)F)c1ccccc1 62a_100009812718_200103152311 [0,1,0,0,0,1|2,0,0]=4 5795 B16R1.12545 O=C(OCCSC(F)(F)F)c1ccccc1 62a_200000243211_100009812718 [0,1,0,0,0,1|2,0,0]=4 5796 B16R1.12545 O=C(OCSCC(F)(F)F)c1ccccc1 62a_100000073877_100000763148 [0,1,0,0,0,1|2,0,0]=4 5797 B16R1.12545 O=C(OCSCC(F)(F)F)c1ccccc1 62a_100000763148_100000073877 [0,1,0,0,0,1|2,0,0]=4 5798 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011214892 [0,1,0,0,0,1|1,0,0]=3 5799 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Br 1458a_100011216857_100000189115 [0,1,0,0,0,1|1,0,0]=3 5800 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011214892 [0,1,0,0,0,1|1,0,0]=3 5801 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100011216857_100000694040 [0,1,0,0,0,1|1,0,0]=3 5802 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011214892 [0,1,0,0,0,1|1,0,0]=3 5803 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)F 1458a_100011216857_100000198546 [0,1,0,0,0,1|1,0,0]=3 5804 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011214892 [0,1,0,0,0,1|1,0,0]=3 5805 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)I 1458a_100011216857_100000189116 [0,1,0,0,0,1|1,0,0]=3 5806 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011214892 [0,1,0,0,0,1|1,0,0]=3 5807 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cn1)Br 1458a_100011216857_100000702658 [0,1,0,0,0,1|2,0,0]=4 5808 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100011214892 [0,1,0,0,0,1|2,0,0]=4 5809 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100011214892 [0,1,0,0,0,1|2,0,0]=4 5810 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cn1)Cl 1458a_100011216857_100012066911 [0,1,0,0,0,1|2,0,0]=4 5811 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cn1)F 1458a_100011216857_100000703193 [0,1,0,0,0,1|2,0,0]=4 5812 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100011214892 [0,1,0,0,0,1|2,0,0]=4 5813 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(nc1)Br 1458a_100011216857_100009831999 [0,1,0,0,0,1|2,0,0]=4 5814 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100011214892 [0,1,0,0,0,1|2,0,0]=4 5815 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(nc1)Cl 1458a_100011216857_100000735431 [0,1,0,0,0,1|2,0,0]=4 5816 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(nc1)F 1458a_100011216857_100009820150 [0,1,0,0,0,1|2,0,0]=4 5817 B16R1.1067 CC(C)CCCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100011214892 [0,1,0,0,0,1|2,0,0]=4 5818 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100011216857 [0,1,0,0,0,1|1,0,0]=3 5819 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011216857 [0,1,0,0,0,1|1,0,0]=3 5820 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011216857 [0,1,0,0,0,1|1,0,0]=3 5821 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011216857 [0,1,0,0,0,1|1,0,0]=3 5822 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100011216857 [0,1,0,0,0,1|1,0,0]=3 5823 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011216857 [0,1,0,0,0,1|1,0,0]=3 5824 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011216857 [0,1,0,0,0,1|1,0,0]=3 5825 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011216857 [0,1,0,0,0,1|1,0,0]=3 5826 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100011216857 [0,1,0,0,0,1|1,0,0]=3 5827 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100011216857 [0,1,0,0,0,1|1,0,0]=3 5828 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100011216857 [0,1,0,0,0,1|1,0,0]=3 5829 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100011216857 [0,1,0,0,0,1|1,0,0]=3 5830 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100011216857 [0,1,0,0,0,1|1,0,0]=3 5831 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100011216857 [0,1,0,0,0,1|1,0,0]=3 5832 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100011216857 [0,1,0,0,0,1|1,0,0]=3 5833 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100011216857 [0,1,0,0,0,1|1,0,0]=3 5834 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100011216857 [0,1,0,0,0,1|1,0,0]=3 5835 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 11a_100000210545_100000198978 [0,1,0,0,0,1|1,0,0]=3 5836 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 240690a_100000210545_100000198978 [0,1,0,0,0,1|1,0,0]=3 5837 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 527a_100000210545_100000198978 [0,1,0,0,0,1|1,0,0]=3 5838 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 11a_100000210545_100000211027 [0,1,0,0,0,1|1,0,0]=3 5839 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 240690a_100000210545_100000211027 [0,1,0,0,0,1|1,0,0]=3 5840 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 527a_100000210545_100000211027 [0,1,0,0,0,1|1,0,0]=3 5841 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 11a_100000210545_100000210951 [0,1,0,0,0,1|1,0,0]=3 5842 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 1626a_100000210545_100000210951 [0,1,0,0,0,1|1,0,0]=3 5843 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 240690a_100000210545_100000210951 [0,1,0,0,0,1|1,0,0]=3 5844 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 527a_100000210545_100000210951 [0,1,0,0,0,1|1,0,0]=3 5845 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 11a_100000210545_100000688869 [0,1,0,0,0,1|1,0,0]=3 5846 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 1626a_100000210545_100000688869 [0,1,0,0,0,1|1,0,0]=3 5847 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 240690a_100000210545_100000688869 [0,1,0,0,0,1|1,0,0]=3 5848 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 527a_100000210545_100000688869 [0,1,0,0,0,1|1,0,0]=3 5849 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 1626a_100000210545_100000198540 [0,1,0,0,0,1|1,0,0]=3 5850 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 240690a_100000210545_100000198540 [0,1,0,0,0,1|1,0,0]=3 5851 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 527a_100000210545_100000198540 [0,1,0,0,0,1|1,0,0]=3 5852 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Br 11a_100000210545_100020629044 [0,1,0,0,0,1|2,0,0]=4 5853 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Br 240690a_100000210545_100020629044 [0,1,0,0,0,1|2,0,0]=4 5854 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Cl 11a_100000210545_100000728320 [0,1,0,0,0,1|2,0,0]=4 5855 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Cl 1626a_100000210545_100000728320 [0,1,0,0,0,1|2,0,0]=4 5856 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Cl 240690a_100000210545_100000728320 [0,1,0,0,0,1|2,0,0]=4 5857 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cn1)Cl 527a_100000210545_100000728320 [0,1,0,0,0,1|2,0,0]=4 5858 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Br 11a_100000210545_100010067268 [0,1,0,0,0,1|2,0,0]=4 5859 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Br 240690a_100000210545_100010067268 [0,1,0,0,0,1|2,0,0]=4 5860 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Br 527a_100000210545_100010067268 [0,1,0,0,0,1|2,0,0]=4 5861 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Cl 11a_100000210545_100000061944 [0,1,0,0,0,1|2,0,0]=4 5862 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Cl 1626a_100000210545_100000061944 [0,1,0,0,0,1|2,0,0]=4 5863 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Cl 240690a_100000210545_100000061944 [0,1,0,0,0,1|2,0,0]=4 5864 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(nc1)Cl 527a_100000210545_100000061944 [0,1,0,0,0,1|2,0,0]=4 5865 B16R1.1067 CC(C)CCNC(=O)Cn1ccc(=O)cc1 11a_100000210545_200000238563 [0,1,0,0,0,1|2,0,0]=4 5866 B16R1.1067 CC(C)CCNC(=O)Cn1ccc(=O)cc1 1626a_100000210545_200000238563 [0,1,0,0,0,1|2,0,0]=4 5867 B16R1.1067 CC(C)CCNC(=O)Cn1ccc(=O)cc1 240690a_100000210545_200000238563 [0,1,0,0,0,1|2,0,0]=4 5868 B16R1.1067 CC(C)CCNC(=O)Cn1ccc(=O)cc1 527a_100000210545_200000238563 [0,1,0,0,0,1|2,0,0]=4 5869 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210545 [0,1,0,0,0,1|1,0,0]=3 5870 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210545 [0,1,0,0,0,1|1,0,0]=3 5871 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210545 [0,1,0,0,0,1|1,0,0]=3 5872 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210545 [0,1,0,0,0,1|1,0,0]=3 5873 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210545 [0,1,0,0,0,1|1,0,0]=3 5874 B16R1.1067 CC(C)CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210312 [0,1,0,0,0,1|1,0,1]=4 5875 B16R1.1067 CC(C)CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210626 [0,1,0,0,0,1|1,0,1]=4 5876 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Br 2230a_100000210953_100000183692 [0,1,0,0,0,1|2,0,0]=4 5877 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_100000210760 [0,1,0,0,0,1|2,0,0]=4 5878 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Br 270004a_100000741985_100000210432 [0,1,0,0,0,1|2,0,0]=4 5879 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Br 34a_100000210953_100000183692 [0,1,0,0,0,1|2,0,0]=4 5880 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Cl 2230a_100000210953_100000182960 [0,1,0,0,0,1|2,0,0]=4 5881 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)Cl 34a_100000210953_100000182960 [0,1,0,0,0,1|2,0,0]=4 5882 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)F 2230a_100000210953_100000181725 [0,1,0,0,0,1|2,0,0]=4 5883 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_100000210760 [0,1,0,0,0,1|2,0,0]=4 5884 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)F 270004a_100025683178_100000210432 [0,1,0,0,0,1|2,0,0]=4 5885 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)F 34a_100000210953_100000181725 [0,1,0,0,0,1|2,0,0]=4 5886 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)F 34a_100025683178_100000210624 [0,1,0,0,0,1|2,0,0]=4 5887 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)I 2230a_100000210953_100000183000 [0,1,0,0,0,1|2,0,0]=4 5888 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)I 34a_100000210953_100000183000 [0,1,0,0,0,1|2,0,0]=4 5889 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)O 2230a_100000210953_100000233757 [0,1,0,0,0,1|2,0,0]=4 5890 B16R1.1067 CC(C)CNCC(=O)Nc1ccc(cc1)O 34a_100000210953_100000233757 [0,1,0,0,0,1|2,0,0]=4 5891 B16R1.1067 CC(C)CNCC(=O)Oc1ccc(cc1)Br 2230a_100000210953_200010760497 [0,1,0,0,0,1|2,0,0]=4 5892 B16R1.1067 CC(C)CNCC(=O)Oc1ccc(cc1)Br 34a_100000210953_200010760497 [0,1,0,0,0,1|2,0,0]=4 5893 B16R1.1067 CC(C)CNNC(=O)Cc1ccc(cc1)Br 22a_100000696102_100000198978 [0,1,0,0,0,1|2,0,0]=4 5894 B16R1.1067 CC(C)CNNC(=O)Cc1ccc(cc1)Cl 22a_100000696102_100000211027 [0,1,0,0,0,1|2,0,0]=4 5895 B16R1.1067 CC(C)CNNC(=O)Cc1ccc(cc1)F 22a_100000696102_100000210951 [0,1,0,0,0,1|2,0,0]=4 5896 B16R1.1067 CC(C)CNNC(=O)Cc1ccc(cc1)I 22a_100000696102_100000688869 [0,1,0,0,0,1|2,0,0]=4 5897 B16R1.1067 CC(C)CNNC(=O)Cc1ccc(cc1)O 22a_100000696102_100000198540 [0,1,0,0,0,1|2,0,0]=4 5898 B16R1.1067 CC(C)COCC(=O)Cc1ccc(cc1)Br 1458a_100011223364_100000189115 [0,1,0,0,0,1|2,0,0]=4 5899 B16R1.1067 CC(C)COCC(=O)Cc1ccc(cc1)Cl 1458a_100011223364_100000694040 [0,1,0,0,0,1|2,0,0]=4 5900 B16R1.1067 CC(C)COCC(=O)Cc1ccc(cc1)F 1458a_100011223364_100000198546 [0,1,0,0,0,1|2,0,0]=4 5901 B16R1.1067 CC(C)COCC(=O)Cc1ccc(cc1)I 1458a_100011223364_100000189116 [0,1,0,0,0,1|2,0,0]=4 5902 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100011223364 [0,1,0,0,0,1|2,0,0]=4 5903 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011223364 [0,1,0,0,0,1|2,0,0]=4 5904 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011223364 [0,1,0,0,0,1|2,0,0]=4 5905 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Br 34a_100000210257_100000183692 [0,1,0,0,0,1|2,0,0]=4 5906 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011223364 [0,1,0,0,0,1|2,0,0]=4 5907 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100011223364 [0,1,0,0,0,1|2,0,0]=4 5908 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011223364 [0,1,0,0,0,1|2,0,0]=4 5909 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011223364 [0,1,0,0,0,1|2,0,0]=4 5910 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Cl 34a_100000210257_100000182960 [0,1,0,0,0,1|2,0,0]=4 5911 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011223364 [0,1,0,0,0,1|2,0,0]=4 5912 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)F 11a_100000185862_100011223364 [0,1,0,0,0,1|2,0,0]=4 5913 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100011223364 [0,1,0,0,0,1|2,0,0]=4 5914 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)F 22a_100000185862_100011223364 [0,1,0,0,0,1|2,0,0]=4 5915 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)F 34a_100000210257_100000181725 [0,1,0,0,0,1|2,0,0]=4 5916 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)F 527a_100000185862_100011223364 [0,1,0,0,0,1|2,0,0]=4 5917 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)I 11a_100000185761_100011223364 [0,1,0,0,0,1|2,0,0]=4 5918 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100011223364 [0,1,0,0,0,1|2,0,0]=4 5919 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)I 22a_100000185761_100011223364 [0,1,0,0,0,1|2,0,0]=4 5920 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)I 34a_100000210257_100000183000 [0,1,0,0,0,1|2,0,0]=4 5921 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)I 527a_100000185761_100011223364 [0,1,0,0,0,1|2,0,0]=4 5922 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)N 34a_100011269904_100000210624 [0,1,0,0,0,1|2,0,0]=4 5923 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)O 22a_100000185829_100011223364 [0,1,0,0,0,1|2,0,0]=4 5924 B16R1.1067 CC(C)COCC(=O)Nc1ccc(cc1)O 34a_100000210257_100000233757 [0,1,0,0,0,1|2,0,0]=4 5925 B16R1.1067 CC(C)COCC(=O)Oc1ccc(cc1)Br 34a_100000210257_200010760497 [0,1,0,0,0,1|2,0,0]=4 5926 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)Br 62a_100000183692_100000210760 [0,1,0,0,0,1|2,0,0]=4 5927 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)Br 62a_100000210624_100000183692 [0,1,0,0,0,1|2,0,0]=4 5928 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)Cl 62a_100000210624_100000182960 [0,1,0,0,0,1|2,0,0]=4 5929 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_100000210760 [0,1,0,0,0,1|2,0,0]=4 5930 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)F 62a_100000210624_100000181725 [0,1,0,0,0,1|2,0,0]=4 5931 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)F 62a_200000243717_100000210760 [0,1,0,0,0,1|2,0,0]=4 5932 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)I 62a_100000183000_100000210760 [0,1,0,0,0,1|2,0,0]=4 5933 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)I 62a_100000210624_100000183000 [0,1,0,0,0,1|2,0,0]=4 5934 B16R1.1067 CC(C)CSCC(=O)Nc1ccc(cc1)O 62a_100000210624_100000233757 [0,1,0,0,0,1|2,0,0]=4 5935 B16R1.1067 CC(C)CSCC(=O)Oc1ccc(cc1)Br 62a_100000210624_200010760497 [0,1,0,0,0,1|2,0,0]=4 5936 B16R1.1067 CC(C)CSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_100000210760 [0,1,0,0,0,1|2,0,0]=4 5937 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)Br 2230a_100000743120_100000210206 [0,1,0,0,0,1|2,0,0]=4 5938 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)Br 2230a_100138425928_100000740023 [0,1,0,0,0,1|2,0,0]=4 5939 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)Br 34a_100000743120_100000210206 [0,1,0,0,0,1|2,0,0]=4 5940 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)Br 34a_100138425928_100000740023 [0,1,0,0,0,1|2,0,0]=4 5941 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)Cl 2230a_100138425928_100000188356 [0,1,0,0,0,1|2,0,0]=4 5942 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)F 2230a_100015184513_100000210206 [0,1,0,0,0,1|2,0,0]=4 5943 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)F 2230a_100138425928_100000736363 [0,1,0,0,0,1|2,0,0]=4 5944 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)F 34a_100015184513_100000210206 [0,1,0,0,0,1|2,0,0]=4 5945 B16R1.1067 CC(C)NCCC(=O)Nc1ccc(cc1)O 2230a_100138425928_100011302330 [0,1,0,0,0,1|2,0,0]=4 5946 B16R1.1067 CC(C)OCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000211751 [0,1,0,0,0,1|2,0,0]=4 5947 B16R1.1067 CC(C)OCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000211751 [0,1,0,0,0,1|2,0,0]=4 5948 B16R1.1067 CC(C)OCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000211751 [0,1,0,0,0,1|2,0,0]=4 5949 B16R1.1067 CC(C)OCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000211751 [0,1,0,0,0,1|2,0,0]=4 5950 B16R1.1067 CC(C)OCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000211751 [0,1,0,0,0,1|2,0,0]=4 5951 B16R1.1067 CC(C)OCCC(=O)Nc1ccc(cc1)Br 34a_100000212225_100000740023 [0,1,0,0,0,1|2,0,0]=4 5952 B16R1.1067 CC(C)SCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000730970 [0,1,0,0,0,1|2,0,0]=4 5953 B16R1.1067 CC(C)SCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000730970 [0,1,0,0,0,1|2,0,0]=4 5954 B16R1.1067 CC(C)SCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000730970 [0,1,0,0,0,1|2,0,0]=4 5955 B16R1.1067 CC(C)SCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000730970 [0,1,0,0,0,1|2,0,0]=4 5956 B16R1.1067 CC(C)SCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000730970 [0,1,0,0,0,1|2,0,0]=4 5957 B16R1.1067 CC(C)SCCC(=O)Nc1ccc(cc1)Br 62a_100000210206_100000740023 [0,1,0,0,0,1|2,0,0]=4 5958 B16R1.1067 CC(C)SCCC(=O)Nc1ccc(cc1)Br 62a_100011219129_100000210206 [0,1,0,0,0,1|2,0,0]=4 5959 B16R1.1067 CC(C)SCCC(=O)Nc1ccc(cc1)Cl 62a_100000210206_100000188356 [0,1,0,0,0,1|2,0,0]=4 5960 B16R1.1067 CC(C)SCCC(=O)Nc1ccc(cc1)F 62a_100000210206_100000736363 [0,1,0,0,0,1|2,0,0]=4 5961 B16R1.1067 CC(C)SCCC(=O)Nc1ccc(cc1)O 62a_100000210206_100011302330 [0,1,0,0,0,1|2,0,0]=4 5962 B16R1.1067 CC(O)CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000718107 [0,1,0,0,0,1|2,0,0]=4 5963 B16R1.1067 CC(O)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000718107 [0,1,0,0,0,1|2,0,0]=4 5964 B16R1.1067 CC(O)CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000718107 [0,1,0,0,0,1|2,0,0]=4 5965 B16R1.1067 CC(O)CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000718107 [0,1,0,0,0,1|2,0,0]=4 5966 B16R1.1067 CC(O)CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000718107 [0,1,0,0,0,1|2,0,0]=4 5967 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000761597 [0,1,0,0,0,1|2,0,0]=4 5968 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000761597 [0,1,0,0,0,1|2,0,0]=4 5969 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000761597 [0,1,0,0,0,1|2,0,0]=4 5970 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000761597 [0,1,0,0,0,1|2,0,0]=4 5971 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000761597 [0,1,0,0,0,1|2,0,0]=4 5972 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000761597 [0,1,0,0,0,1|2,0,0]=4 5973 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000761597 [0,1,0,0,0,1|2,0,0]=4 5974 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000761597 [0,1,0,0,0,1|2,0,0]=4 5975 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000761597 [0,1,0,0,0,1|2,0,0]=4 5976 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000761597 [0,1,0,0,0,1|2,0,0]=4 5977 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000761597 [0,1,0,0,0,1|2,0,0]=4 5978 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000761597 [0,1,0,0,0,1|2,0,0]=4 5979 B16R1.1067 CC(O)CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000761597 [0,1,0,0,0,1|2,0,0]=4 5980 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)Br 240690a_200000755665_100000198978 [0,1,0,0,0,1|2,0,0]=4 5981 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)Br 527a_200000755665_100000198978 [0,1,0,0,0,1|2,0,0]=4 5982 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)Cl 240690a_200000755665_100000211027 [0,1,0,0,0,1|2,0,0]=4 5983 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)Cl 527a_200000755665_100000211027 [0,1,0,0,0,1|2,0,0]=4 5984 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)F 240690a_200000755665_100000210951 [0,1,0,0,0,1|2,0,0]=4 5985 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)F 527a_200000755665_100000210951 [0,1,0,0,0,1|2,0,0]=4 5986 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)I 240690a_200000755665_100000688869 [0,1,0,0,0,1|2,0,0]=4 5987 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)I 527a_200000755665_100000688869 [0,1,0,0,0,1|2,0,0]=4 5988 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)O 240690a_200000755665_100000198540 [0,1,0,0,0,1|2,0,0]=4 5989 B16R1.1067 CC(O)CCNC(=O)Cc1ccc(cc1)O 527a_200000755665_100000198540 [0,1,0,0,0,1|2,0,0]=4 5990 B16R1.1067 CC(O)CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_200000755665 [0,1,0,0,0,1|2,0,0]=4 5991 B16R1.1067 CC(O)CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_200000755665 [0,1,0,0,0,1|2,0,0]=4 5992 B16R1.1067 CC(O)CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_200000755665 [0,1,0,0,0,1|2,0,0]=4 5993 B16R1.1067 CC(O)CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_200000755665 [0,1,0,0,0,1|2,0,0]=4 5994 B16R1.1067 CC(O)CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_200000755665 [0,1,0,0,0,1|2,0,0]=4 5995 B16R1.1067 CN(C)CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000695564 [0,1,0,0,0,1|2,0,0]=4 5996 B16R1.1067 CN(C)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000695564 [0,1,0,0,0,1|2,0,0]=4 5997 B16R1.1067 CN(C)CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000695564 [0,1,0,0,0,1|2,0,0]=4 5998 B16R1.1067 CN(C)CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000695564 [0,1,0,0,0,1|2,0,0]=4 5999 B16R1.1067 CN(C)CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000695564 [0,1,0,0,0,1|2,0,0]=4 6000 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000740757 [0,1,0,0,0,1|2,0,0]=4 6001 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000740757 [0,1,0,0,0,1|2,0,0]=4 6002 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)Br 269982a_100102631434_100000190511 [0,1,0,0,0,1|2,0,0]=4 6003 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000740757 [0,1,0,0,0,1|2,0,0]=4 6004 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000740757 [0,1,0,0,0,1|2,0,0]=4 6005 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000740757 [0,1,0,0,0,1|2,0,0]=4 6006 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000740757 [0,1,0,0,0,1|2,0,0]=4 6007 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000740757 [0,1,0,0,0,1|2,0,0]=4 6008 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000740757 [0,1,0,0,0,1|2,0,0]=4 6009 B16R1.1067 CN(C)CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000740757 [0,1,0,0,0,1|2,0,0]=4 6010 B16R1.1067 CN(C)CCCC(=O)Oc1ccc(cc1)F 269982a_100102631434_100000010882 [0,1,0,0,0,1|2,0,0]=4 6011 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)Br 240690a_100000210585_100000198978 [0,1,0,0,0,1|2,0,0]=4 6012 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)Br 527a_100000210585_100000198978 [0,1,0,0,0,1|2,0,0]=4 6013 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)Cl 240690a_100000210585_100000211027 [0,1,0,0,0,1|2,0,0]=4 6014 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)Cl 527a_100000210585_100000211027 [0,1,0,0,0,1|2,0,0]=4 6015 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)F 240690a_100000210585_100000210951 [0,1,0,0,0,1|2,0,0]=4 6016 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)F 527a_100000210585_100000210951 [0,1,0,0,0,1|2,0,0]=4 6017 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)I 240690a_100000210585_100000688869 [0,1,0,0,0,1|2,0,0]=4 6018 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)I 527a_100000210585_100000688869 [0,1,0,0,0,1|2,0,0]=4 6019 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)O 240690a_100000210585_100000198540 [0,1,0,0,0,1|2,0,0]=4 6020 B16R1.1067 CN(C)CCNC(=O)Cc1ccc(cc1)O 527a_100000210585_100000198540 [0,1,0,0,0,1|2,0,0]=4 6021 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210585 [0,1,0,0,0,1|2,0,0]=4 6022 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210585 [0,1,0,0,0,1|2,0,0]=4 6023 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)F 2230a_100102631434_100000163319 [0,1,0,0,0,1|2,0,0]=4 6024 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210585 [0,1,0,0,0,1|2,0,0]=4 6025 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)F 269982a_100102631434_100000163319 [0,1,0,0,0,1|2,0,0]=4 6026 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210585 [0,1,0,0,0,1|2,0,0]=4 6027 B16R1.1067 CN(C)CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210585 [0,1,0,0,0,1|2,0,0]=4 6028 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCC(C)C 1458a_100000212244_100011214892 [0,1,0,0,0,1|1,0,0]=3 6029 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCC(C)C 1458a_100011216857_100000210814 [0,1,0,0,0,1|1,0,0]=3 6030 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCC(C)O 1458a_100000212244_200000718107 [0,1,0,0,0,1|2,0,0]=4 6031 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCN(C)C 1458a_100000212244_100000695564 [0,1,0,0,0,1|2,0,0]=4 6032 B16R1.1067 Cc1ccc(cc1)CC(=O)CCOC(C)C 1458a_100000212244_100000211751 [0,1,0,0,0,1|2,0,0]=4 6033 B16R1.1067 Cc1ccc(cc1)CC(=O)CCSC(C)C 1458a_100000212244_100000730970 [0,1,0,0,0,1|2,0,0]=4 6034 B16R1.1067 Cc1ccc(cc1)CC(=O)COCC(C)C 1458a_100011223364_100000210814 [0,1,0,0,0,1|2,0,0]=4 6035 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 11a_100000210545_100000212244 [0,1,0,0,0,1|1,0,0]=3 6036 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 240690a_100000210545_100000212244 [0,1,0,0,0,1|1,0,0]=3 6037 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 527a_100000210545_100000212244 [0,1,0,0,0,1|1,0,0]=3 6038 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)O 240690a_200000755665_100000212244 [0,1,0,0,0,1|2,0,0]=4 6039 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)O 527a_200000755665_100000212244 [0,1,0,0,0,1|2,0,0]=4 6040 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCN(C)C 240690a_100000210585_100000212244 [0,1,0,0,0,1|2,0,0]=4 6041 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCN(C)C 527a_100000210585_100000212244 [0,1,0,0,0,1|2,0,0]=4 6042 B16R1.1067 Cc1ccc(cc1)CC(=O)NNCC(C)C 22a_100000696102_100000212244 [0,1,0,0,0,1|2,0,0]=4 6043 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 11a_100000124888_100011216857 [0,1,0,0,0,1|1,0,0]=3 6044 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 1626a_100000124888_100011216857 [0,1,0,0,0,1|1,0,0]=3 6045 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 22a_100000124888_100011216857 [0,1,0,0,0,1|1,0,0]=3 6046 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 527a_100000124888_100011216857 [0,1,0,0,0,1|1,0,0]=3 6047 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)O 1626a_100000124888_100000761597 [0,1,0,0,0,1|2,0,0]=4 6048 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)O 22a_100000124888_100000761597 [0,1,0,0,0,1|2,0,0]=4 6049 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)O 527a_100000124888_100000761597 [0,1,0,0,0,1|2,0,0]=4 6050 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCN(C)C 11a_100000124888_100000740757 [0,1,0,0,0,1|2,0,0]=4 6051 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCN(C)C 2230a_100102631434_200011194843 [0,1,0,0,0,1|2,0,0]=4 6052 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCN(C)C 22a_100000124888_100000740757 [0,1,0,0,0,1|2,0,0]=4 6053 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCN(C)C 269982a_100102631434_200011194843 [0,1,0,0,0,1|2,0,0]=4 6054 B16R1.1067 Cc1ccc(cc1)NC(=O)CCNC(C)C 2230a_100138425928_200000187088 [0,1,0,0,0,1|2,0,0]=4 6055 B16R1.1067 Cc1ccc(cc1)NC(=O)CCNC(C)C 34a_100015187665_100000210206 [0,1,0,0,0,1|2,0,0]=4 6056 B16R1.1067 Cc1ccc(cc1)NC(=O)CCNC(C)C 34a_100138425928_200000187088 [0,1,0,0,0,1|2,0,0]=4 6057 B16R1.1067 Cc1ccc(cc1)NC(=O)CCOC(C)C 34a_100000212225_200000187088 [0,1,0,0,0,1|2,0,0]=4 6058 B16R1.1067 Cc1ccc(cc1)NC(=O)CCOC(C)C 34a_200009859269_100000210206 [0,1,0,0,0,1|2,0,0]=4 6059 B16R1.1067 Cc1ccc(cc1)NC(=O)CCOC(C)C 7a_200009859269_100000210206 [0,1,0,0,0,1|2,0,0]=4 6060 B16R1.1067 Cc1ccc(cc1)NC(=O)CCSC(C)C 62a_100000210206_200000187088 [0,1,0,0,0,1|2,0,0]=4 6061 B16R1.1067 Cc1ccc(cc1)NC(=O)CNCC(C)C 2230a_100000210953_100000182914 [0,1,0,0,0,1|2,0,0]=4 6062 B16R1.1067 Cc1ccc(cc1)NC(=O)CNCC(C)C 34a_100000210953_100000182914 [0,1,0,0,0,1|2,0,0]=4 6063 B16R1.1067 Cc1ccc(cc1)NC(=O)COCC(C)C 11a_100000124888_100011223364 [0,1,0,0,0,1|2,0,0]=4 6064 B16R1.1067 Cc1ccc(cc1)NC(=O)COCC(C)C 1626a_100000124888_100011223364 [0,1,0,0,0,1|2,0,0]=4 6065 B16R1.1067 Cc1ccc(cc1)NC(=O)COCC(C)C 22a_100000124888_100011223364 [0,1,0,0,0,1|2,0,0]=4 6066 B16R1.1067 Cc1ccc(cc1)NC(=O)COCC(C)C 34a_100000210257_100000182914 [0,1,0,0,0,1|2,0,0]=4 6067 B16R1.1067 Cc1ccc(cc1)NC(=O)COCC(C)C 527a_100000124888_100011223364 [0,1,0,0,0,1|2,0,0]=4 6068 B16R1.1067 Cc1ccc(cc1)NC(=O)CSCC(C)C 62a_100000210624_100000182914 [0,1,0,0,0,1|2,0,0]=4 6069 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCC(C)C 2430a_100000124888_100000210545 [0,1,0,0,0,1|1,0,0]=3 6070 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCC(C)O 2430a_100000124888_200000755665 [0,1,0,0,0,1|2,0,0]=4 6071 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCN(C)C 2430a_100000124888_100000210585 [0,1,0,0,0,1|2,0,0]=4 6072 B16R1.1067 Cc1ccc(cn1)CC(=O)CCCC(C)C 1458a_100000740413_100011214892 [0,1,0,0,0,1|2,0,0]=4 6073 B16R1.1067 Cc1ccc(cn1)CC(=O)CCCC(C)C 1458a_100011216857_100016987292 [0,1,0,0,0,1|2,0,0]=4 6074 B16R1.1067 Cc1ccc(cn1)CC(=O)NCCC(C)C 11a_100000210545_100000740413 [0,1,0,0,0,1|2,0,0]=4 6075 B16R1.1067 Cc1ccc(cn1)CC(=O)NCCC(C)C 1626a_100000210545_100000740413 [0,1,0,0,0,1|2,0,0]=4 6076 B16R1.1067 Cc1ccc(cn1)CC(=O)NCCC(C)C 240690a_100000210545_100000740413 [0,1,0,0,0,1|2,0,0]=4 6077 B16R1.1067 Cc1ccc(cn1)CC(=O)NCCC(C)C 527a_100000210545_100000740413 [0,1,0,0,0,1|2,0,0]=4 6078 B16R1.1067 Cc1ccc(nc1)CC(=O)CCCC(C)C 1458a_100011216857_100000691093 [0,1,0,0,0,1|2,0,0]=4 6079 B16R1.1067 Cc1ccc(nc1)CC(=O)CCCC(C)C 1458a_100025705728_100011214892 [0,1,0,0,0,1|2,0,0]=4 6080 B16R1.1067 Cc1ccc(nc1)CC(=O)NCCC(C)C 11a_100000210545_100025705728 [0,1,0,0,0,1|2,0,0]=4 6081 B16R1.1067 Cc1ccc(nc1)CC(=O)NCCC(C)C 1626a_100000210545_100025705728 [0,1,0,0,0,1|2,0,0]=4 6082 B16R1.1067 Cc1ccc(nc1)CC(=O)NCCC(C)C 240690a_100000210545_100025705728 [0,1,0,0,0,1|2,0,0]=4 6083 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)C 1458a_100016990649_100000210312 [0,1,0,0,0,1|2,0,0]=4 6084 B16R1.1284 CC(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210312 [0,1,0,0,0,1|2,0,0]=4 6085 B16R1.1284 CC(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210312 [0,1,0,0,0,1|2,0,0]=4 6086 B16R1.1284 CC(C)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210312 [0,1,0,0,0,1|1,0,0]=3 6087 B16R1.1284 CC(C)CCC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100011261404 [0,1,0,0,0,1|2,0,0]=4 6088 B16R1.1284 CC(C)CCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100011261404 [0,1,0,0,0,1|2,0,0]=4 6089 B16R1.1284 CC(C)CCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100011261404 [0,1,0,0,0,1|2,0,0]=4 6090 B16R1.1284 CC(C)CCN(C)C(=O)C[n+]1ccccc1 11a_100000742789_200000086051 [0,1,0,0,0,1|2,0,0]=4 6091 B16R1.1284 CC(C)CCN(C)C(=O)C[n+]1ccccc1 240690a_100000742789_200000086051 [0,1,0,0,0,1|2,0,0]=4 6092 B16R1.1284 CC(C)CCN(C)C(=O)C[n+]1ccccc1 527a_100000742789_200000086051 [0,1,0,0,0,1|2,0,0]=4 6093 B16R1.1284 CC(C)CCN(C)C(=O)Cc1ccccn1 11a_100000742789_100000233486 [0,1,0,0,0,1|2,0,0]=4 6094 B16R1.1284 CC(C)CCN(C)C(=O)Cc1cccnc1 11a_100000742789_100000737805 [0,1,0,0,0,1|2,0,0]=4 6095 B16R1.1284 CC(C)CCN(C)C(=O)Cc1cccnc1 240690a_100000742789_100000737805 [0,1,0,0,0,1|2,0,0]=4 6096 B16R1.1284 CC(C)CCN(C)C(=O)Cc1cccnc1 527a_100000742789_100000737805 [0,1,0,0,0,1|2,0,0]=4 6097 B16R1.1284 CC(C)CCN(C)C(=O)Cc1ccncc1 11a_100000742789_100011201483 [0,1,0,0,0,1|2,0,0]=4 6098 B16R1.1284 CC(C)CCN(C)C(=O)Cc1ccncc1 240690a_100000742789_100011201483 [0,1,0,0,0,1|2,0,0]=4 6099 B16R1.1284 CC(C)CCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000742789 [0,1,0,0,0,1|1,0,0]=3 6100 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1ccccc1 1458a_200011297155_100015291786 [0,1,0,0,0,1|2,0,0]=4 6101 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297155 [0,1,0,0,0,1|2,0,0]=4 6102 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297155 [0,1,0,0,0,1|2,0,0]=4 6103 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100000210953_100000738435 [0,1,0,0,0,1|2,0,0]=4 6104 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297155 [0,1,0,0,0,1|2,0,0]=4 6105 B16R1.1284 CC(C)CNC(C)C(=O)Nc1ccccc1 2230a_100000210953_100000183986 [0,1,0,0,0,1|2,0,0]=4 6106 B16R1.1284 CC(C)CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000210760 [0,1,0,0,0,1|2,0,0]=4 6107 B16R1.1284 CC(C)CNC(C)C(=O)Nc1ccccc1 270004a_100000754830_100000210432 [0,1,0,0,0,1|2,0,0]=4 6108 B16R1.1284 CC(C)CNC(C)C(=O)Nc1ccccc1 34a_100000210953_100000183986 [0,1,0,0,0,1|2,0,0]=4 6109 B16R1.1284 CC(C)CNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000210624 [0,1,0,0,0,1|2,0,0]=4 6110 B16R1.1284 CC(C)COC(C)C(=O)Nc1ccccc1 34a_100000210257_100000183986 [0,1,0,0,0,1|2,0,0]=4 6111 B16R1.1284 CC(C)CSC(C)C(=O)Nc1ccccc1 62a_100000183986_100000210760 [0,1,0,0,0,1|2,0,0]=4 6112 B16R1.1284 CC(C)CSC(C)C(=O)Nc1ccccc1 62a_100000210624_100000183986 [0,1,0,0,0,1|2,0,0]=4 6113 B16R1.1284 CC(O)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012276601 [0,1,0,0,0,1|2,0,0]=4 6114 B16R1.1284 CN(C)CCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000225618 [0,1,0,0,0,1|2,0,0]=4 6115 B16R1.1329 CC(CF)OCCC(=O)Nc1ccccc1 34a_100016041109_100000242058 [0,1,0,0,0,1|2,0,0]=4 6116 B16R1.1329 CC(CF)OCCC(=O)Nc1ccccc1 7a_100016041109_100000242058 [0,1,0,0,0,1|2,0,0]=4 6117 B16R1.1329 CC(CF)OCCC(=O)Oc1ccccc1 7a_100016041109_200000035796 [0,1,0,0,0,1|2,0,0]=4 6118 B16R1.1329 CC(CN)COCC(=O)Nc1ccccc1 34a_100000744482_100000182850 [0,1,0,0,0,1|2,0,0]=4 6119 B16R1.1329 CC(CN)COCC(=O)Oc1ccccc1 34a_100000744482_100009813826 [0,1,0,0,0,1|2,0,0]=4 6120 B16R1.1329 CC(CN)OCCC(=O)Nc1ccccc1 34a_100000210904_100000242058 [0,1,0,0,0,1|2,0,0]=4 6121 B16R1.1329 CC(CO)CCNC(=O)C[n+]1ccccc1 240690a_106354213184_200000086051 [0,1,0,0,0,1|2,0,0]=4 6122 B16R1.1329 CC(CO)CCNC(=O)C[n+]1ccccc1 527a_106354213184_200000086051 [0,1,0,0,0,1|2,0,0]=4 6123 B16R1.1329 CC(CO)CCNC(=O)Cc1cccnc1 240690a_106354213184_100000737805 [0,1,0,0,0,1|2,0,0]=4 6124 B16R1.1329 CC(CO)CCNC(=O)Cc1cccnc1 527a_106354213184_100000737805 [0,1,0,0,0,1|2,0,0]=4 6125 B16R1.1329 CC(CO)CCNC(=O)Cc1ccncc1 240690a_106354213184_100011201483 [0,1,0,0,0,1|2,0,0]=4 6126 B16R1.1329 CC(CO)CCNC(=O)Nc1ccccc1 2430a_100000106764_106354213184 [0,1,0,0,0,1|1,0,0]=3 6127 B16R1.1329 CC(CO)CNCC(=O)Nc1ccccc1 34a_100000744482_100000182850 [0,1,0,0,0,1|2,0,0]=4 6128 B16R1.1329 CC(CO)CNCC(=O)Oc1ccccc1 34a_100000744482_100009813826 [0,1,0,0,0,1|2,0,0]=4 6129 B16R1.1329 CC(CO)SCCC(=O)Nc1ccccc1 62a_100012180447_100000242058 [0,1,0,0,0,1|2,0,0]=4 6130 B16R1.1329 CC(CO)SCCC(=O)Oc1ccccc1 62a_100012180447_200000035796 [0,1,0,0,0,1|2,0,0]=4 6131 B16R1.1329 CCC(C)CCNC(=O)C[n+]1ccccc1 11a_100020591266_200000086051 [0,1,0,0,0,1|2,0,0]=4 6132 B16R1.1329 CCC(C)CCNC(=O)C[n+]1ccccc1 240690a_100020591266_200000086051 [0,1,0,0,0,1|2,0,0]=4 6133 B16R1.1329 CCC(C)CCNC(=O)C[n+]1ccccc1 527a_100020591266_200000086051 [0,1,0,0,0,1|2,0,0]=4 6134 B16R1.1329 CCC(C)CCNC(=O)Cc1ccccn1 11a_100020591266_100000233486 [0,1,0,0,0,1|2,0,0]=4 6135 B16R1.1329 CCC(C)CCNC(=O)Cc1cccnc1 11a_100020591266_100000737805 [0,1,0,0,0,1|2,0,0]=4 6136 B16R1.1329 CCC(C)CCNC(=O)Cc1cccnc1 240690a_100020591266_100000737805 [0,1,0,0,0,1|2,0,0]=4 6137 B16R1.1329 CCC(C)CCNC(=O)Cc1cccnc1 527a_100020591266_100000737805 [0,1,0,0,0,1|2,0,0]=4 6138 B16R1.1329 CCC(C)CCNC(=O)Cc1ccncc1 11a_100020591266_100011201483 [0,1,0,0,0,1|2,0,0]=4 6139 B16R1.1329 CCC(C)CCNC(=O)Cc1ccncc1 240690a_100020591266_100011201483 [0,1,0,0,0,1|2,0,0]=4 6140 B16R1.1329 CCC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100020591266 [0,1,0,0,0,1|1,0,0]=3 6141 B16R1.1329 CCC(C)CCOC(C)Cc1ccccc1 7a_100011215188_200011218536 [0,1,0,0,0,1|1,0,1]=4 6142 B16R1.1329 CCC(C)CNCC(=O)Cc1ccccc1 2230a_100020588543_100000233483 [0,1,0,0,0,1|2,0,0]=4 6143 B16R1.1329 CCC(C)CNCC(=O)Nc1ccccc1 2230a_100020588543_100000182850 [0,1,0,0,0,1|2,0,0]=4 6144 B16R1.1329 CCC(C)CNCC(=O)Nc1ccccc1 270004a_100000742222_100000243153 [0,1,0,0,0,1|2,0,0]=4 6145 B16R1.1329 CCC(C)CNCC(=O)Oc1ccccc1 2230a_100020588543_100009813826 [0,1,0,0,0,1|2,0,0]=4 6146 B16R1.1329 CCC(C)COCC(=O)Nc1ccccc1 34a_100000246334_100000748023 [0,1,0,0,0,1|2,0,0]=4 6147 B16R1.1329 CCC(C)CSCC(=O)Cc1ccccc1 62a_100000233483_100000748023 [0,1,0,0,0,1|2,0,0]=4 6148 B16R1.1329 CCC(C)CSCC(=O)Cc1ccccc1 62a_100000748023_100000233483 [0,1,0,0,0,1|2,0,0]=4 6149 B16R1.1329 CCC(C)CSCC(=O)Nc1ccccc1 62a_100000748023_100000182850 [0,1,0,0,0,1|2,0,0]=4 6150 B16R1.1329 CCC(C)CSCC(=O)Nc1ccccc1 62a_100012148978_100000748023 [0,1,0,0,0,1|2,0,0]=4 6151 B16R1.1329 CCC(C)CSCC(=O)Oc1ccccc1 62a_100000748023_100009813826 [0,1,0,0,0,1|2,0,0]=4 6152 B16R1.1329 CCC(C)CSCC(=O)Oc1ccccc1 62a_100009813826_100000748023 [0,1,0,0,0,1|2,0,0]=4 6153 B16R1.1329 CCC(C)NCCC(=O)Nc1ccccc1 2230a_100000209981_100000242058 [0,1,0,0,0,1|2,0,0]=4 6154 B16R1.1329 CCC(C)NCCC(=O)Oc1ccccc1 2230a_100000209981_200000035796 [0,1,0,0,0,1|2,0,0]=4 6155 B16R1.1329 CCC(C)OCCC(=O)Nc1ccccc1 7a_100000210228_100000242058 [0,1,0,0,0,1|2,0,0]=4 6156 B16R1.1329 CCC(C)OCCC(=O)Oc1ccccc1 7a_100000210228_200000035796 [0,1,0,0,0,1|2,0,0]=4 6157 B16R1.1329 CCC(C)SCCC(=O)Nc1ccccc1 62a_100000758301_100000242058 [0,1,0,0,0,1|2,0,0]=4 6158 B16R1.1329 CCC(C)SCCC(=O)Oc1ccccc1 62a_100000758301_200000035796 [0,1,0,0,0,1|2,0,0]=4 6159 B16R1.1329 CCN(C)CCCC(=O)Nc1ccccc1 2230a_100000225621_100011194425 [0,1,0,0,0,1|2,0,0]=4 6160 B16R1.1329 CCN(C)CCCC(=O)Nc1ccccc1 269982a_100000225621_100011194425 [0,1,0,0,0,1|2,0,0]=4 6161 B16R1.1329 CC[C@H](C)COCC(=O)Cc1ccccc1 7a_100009816381_100000233483 [0,1,0,0,0,1|2,0,0]=4 6162 B16R1.1329 CC[C@H](C)COCC(=O)Nc1ccccc1 34a_100000246334_100009816398 [0,1,0,0,0,1|2,0,0]=4 6163 B16R1.1329 CC[C@H](C)COCC(=O)Nc1ccccc1 7a_100009816381_100000182850 [0,1,0,0,0,1|2,0,0]=4 6164 B16R1.1329 CC[C@H](C)COCC(=O)Oc1ccccc1 7a_100009816381_100009813826 [0,1,0,0,0,1|2,0,0]=4 6165 B16R1.1329 CC[C@H](C)CSCC(=O)Cc1ccccc1 62a_100000233483_100009816398 [0,1,0,0,0,1|2,0,0]=4 6166 B16R1.1329 CC[C@H](C)CSCC(=O)Cc1ccccc1 62a_100009816398_100000233483 [0,1,0,0,0,1|2,0,0]=4 6167 B16R1.1329 CC[C@H](C)CSCC(=O)Nc1ccccc1 62a_100009816398_100000182850 [0,1,0,0,0,1|2,0,0]=4 6168 B16R1.1329 CC[C@H](C)CSCC(=O)Nc1ccccc1 62a_100012148978_100009816398 [0,1,0,0,0,1|2,0,0]=4 6169 B16R1.1329 CC[C@H](C)CSCC(=O)Oc1ccccc1 62a_100009813826_100009816398 [0,1,0,0,0,1|2,0,0]=4 6170 B16R1.1329 CC[C@H](C)CSCC(=O)Oc1ccccc1 62a_100009816398_100009813826 [0,1,0,0,0,1|2,0,0]=4 6171 B16R1.1329 COC(C)CCOC(C)Cc1ccccc1 7a_100000764861_200011218536 [0,1,0,0,0,1|1,0,1]=4 6172 B16R1.1329 COC(C)COCC(=O)Nc1ccccc1 34a_100000690652_100000182850 [0,1,0,0,0,1|2,0,0]=4 6173 B16R1.1329 COC(C)COCC(=O)Oc1ccccc1 34a_100000690652_100009813826 [0,1,0,0,0,1|2,0,0]=4 6174 B16R1.1329 COC(C)SCCC(=O)Nc1ccccc1 62a_100009879195_100000242058 [0,1,0,0,0,1|2,0,0]=4 6175 B16R1.1329 COC(C)SCCC(=O)Oc1ccccc1 62a_100009879195_200000035796 [0,1,0,0,0,1|2,0,0]=4 6176 B16R1.1329 CO[C@H](C)CNCC(=O)Cc1ccccc1 2230a_100020591295_100000233483 [0,1,0,0,0,1|2,0,0]=4 6177 B16R1.1329 CO[C@H](C)CNCC(=O)Nc1ccccc1 2230a_100020591295_100000182850 [0,1,0,0,0,1|2,0,0]=4 6178 B16R1.1329 CO[C@H](C)CNCC(=O)Oc1ccccc1 2230a_100020591295_100009813826 [0,1,0,0,0,1|2,0,0]=4 6179 B16R1.1329 C[C@@H](CO)COCC(=O)Nc1ccccc1 34a_100000246334_100000059175 [0,1,0,0,0,1|2,0,0]=4 6180 B16R1.1329 C[C@@H](CO)CSCC(=O)Cc1ccccc1 62a_100000059175_100000233483 [0,1,0,0,0,1|2,0,0]=4 6181 B16R1.1329 C[C@@H](CO)CSCC(=O)Cc1ccccc1 62a_100000233483_100000059175 [0,1,0,0,0,1|2,0,0]=4 6182 B16R1.1329 C[C@@H](CO)CSCC(=O)Nc1ccccc1 62a_100000059175_100000182850 [0,1,0,0,0,1|2,0,0]=4 6183 B16R1.1329 C[C@@H](CO)CSCC(=O)Nc1ccccc1 62a_100012148978_100000059175 [0,1,0,0,0,1|2,0,0]=4 6184 B16R1.1329 C[C@@H](CO)CSCC(=O)Oc1ccccc1 62a_100000059175_100009813826 [0,1,0,0,0,1|2,0,0]=4 6185 B16R1.1329 C[C@@H](CO)CSCC(=O)Oc1ccccc1 62a_100009813826_100000059175 [0,1,0,0,0,1|2,0,0]=4 6186 B16R1.1329 C[C@H](CO)NCCC(=O)Nc1ccccc1 2230a_100000737577_100000242058 [0,1,0,0,0,1|2,0,0]=4 6187 B16R1.1329 C[C@H](CO)NCCC(=O)Oc1ccccc1 2230a_100000737577_200000035796 [0,1,0,0,0,1|2,0,0]=4 6188 B16R1.1329 C[C@H](CO)SCCC(=O)Nc1ccccc1 62a_100016084084_100000242058 [0,1,0,0,0,1|2,0,0]=4 6189 B16R1.1329 C[C@H](CO)SCCC(=O)Oc1ccccc1 62a_100016084084_200000035796 [0,1,0,0,0,1|2,0,0]=4 6190 B16R1.3379 C#CC(Cc1ccccc1)OCCC(C)C 34a_100000685211_100000210312 [0,1,0,0,0,1|1,0,1]=4 6191 B16R1.3379 C#CC(Cc1ccccc1)OCCC(C)C 7a_100000685211_100000210626 [0,1,0,0,0,1|1,0,1]=4 6192 B16R1.3379 CC(C)CCOC(C#N)Cc1ccccc1 7a_100000210254_100000183401 [0,1,0,0,0,1|1,0,1]=4 6193 B16R1.3379 CC(C)CCOC(CN)Cc1ccccc1 34a_100000752270_100000210312 [0,1,0,0,0,1|1,0,1]=4 6194 B16R1.3379 CC(C)CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210626 [0,1,0,0,0,1|1,0,1]=4 6195 B16R1.3379 CCC(Cc1ccccc1)OCCC(C)C 7a_100000760156_100000210626 [0,1,0,0,0,1|1,0,1]=4 6196 B16R1.4132 CC(C)C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210206 [0,1,0,0,0,1|1,0,1]=4 6197 B16R1.4132 CC(C)C(=O)CCC(=O)Nc1ccccc1 1458a_100000210198_100000242058 [0,1,0,0,0,1|1,0,1]=4 6198 B16R1.4132 CC(C)C(=O)CCC(=O)Oc1ccccc1 1458a_100000210198_200000035796 [0,1,0,0,0,1|1,0,1]=4 6199 B16R1.4132 CC(C)C(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_100000210206 [0,1,0,0,0,1|1,0,1]=4 6200 B16R1.4132 CC(C)C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_100000210206 [0,1,0,0,0,1|1,0,1]=4 6201 B16R1.4132 CC(C)C(C)NCC(=O)Cc1ccccc1 2230a_100000211541_100000233483 [0,1,0,0,0,1|2,0,0]=4 6202 B16R1.4132 CC(C)C(C)NCC(=O)Nc1ccccc1 2230a_100000211541_100000182850 [0,1,0,0,0,1|2,0,0]=4 6203 B16R1.4132 CC(C)C(C)NCC(=O)Oc1ccccc1 2230a_100000211541_100009813826 [0,1,0,0,0,1|2,0,0]=4 6204 B16R1.4132 CC(C)C(C)OCC(=O)Cc1ccccc1 7a_100000748068_100000233483 [0,1,0,0,0,1|2,0,0]=4 6205 B16R1.4132 CC(C)C(C)OCC(=O)Nc1ccccc1 7a_100000748068_100000182850 [0,1,0,0,0,1|2,0,0]=4 6206 B16R1.4132 CC(C)C(C)OCC(=O)Oc1ccccc1 7a_100000748068_100009813826 [0,1,0,0,0,1|2,0,0]=4 6207 B16R1.4132 CC(C)C(O)CNC(=O)C[n+]1ccccc1 11a_100000759067_200000086051 [0,1,0,0,0,1|2,0,0]=4 6208 B16R1.4132 CC(C)C(O)CNC(=O)C[n+]1ccccc1 240690a_100000759067_200000086051 [0,1,0,0,0,1|2,0,0]=4 6209 B16R1.4132 CC(C)C(O)CNC(=O)C[n+]1ccccc1 527a_100000759067_200000086051 [0,1,0,0,0,1|2,0,0]=4 6210 B16R1.4132 CC(C)C(O)CNC(=O)Cc1ccccn1 11a_100000759067_100000233486 [0,1,0,0,0,1|2,0,0]=4 6211 B16R1.4132 CC(C)C(O)CNC(=O)Cc1cccnc1 11a_100000759067_100000737805 [0,1,0,0,0,1|2,0,0]=4 6212 B16R1.4132 CC(C)C(O)CNC(=O)Cc1cccnc1 240690a_100000759067_100000737805 [0,1,0,0,0,1|2,0,0]=4 6213 B16R1.4132 CC(C)C(O)CNC(=O)Cc1cccnc1 527a_100000759067_100000737805 [0,1,0,0,0,1|2,0,0]=4 6214 B16R1.4132 CC(C)C(O)CNC(=O)Cc1ccncc1 11a_100000759067_100011201483 [0,1,0,0,0,1|2,0,0]=4 6215 B16R1.4132 CC(C)C(O)CNC(=O)Cc1ccncc1 240690a_100000759067_100011201483 [0,1,0,0,0,1|2,0,0]=4 6216 B16R1.4132 CC(C)C(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000759067 [0,1,0,0,0,1|1,0,0]=3 6217 B16R1.4132 CC(C)N(C)CCC(=O)Cc1ccccc1 1458a_100015184040_100015291786 [0,1,0,0,0,1|2,0,0]=4 6218 B16R1.4132 CC(C)N(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100015184040 [0,1,0,0,0,1|2,0,0]=4 6219 B16R1.4132 CC(C)N(C)CCC(=O)Nc1ccccc1 22a_100000106764_100015184040 [0,1,0,0,0,1|2,0,0]=4 6220 B16R1.4132 CC(C)N(C)CCC(=O)Nc1ccccc1 269982a_200000211004_100000242058 [0,1,0,0,0,1|2,0,0]=4 6221 B16R1.4132 CC(C)N(C)CCC(=O)Oc1ccccc1 269982a_200000211004_200000035796 [0,1,0,0,0,1|2,0,0]=4 6222 B16R1.4132 CC(Cc1ccccc1)OC[C@H](N)C(C)C 34a_100011830312_200011218536 [0,1,0,0,0,1|1,0,1]=4 6223 B16R1.6940 CC(C)CC(=O)CC(=O)Cc1ccccc1 1458a_100000210554_100000233483 [0,1,0,0,0,1|1,0,1]=4 6224 B16R1.6940 CC(C)CC(=O)CC(=O)Nc1ccccc1 1458a_100000210554_100000182850 [0,1,0,0,0,1|1,0,1]=4 6225 B16R1.6940 CC(C)CC(=O)CC(=O)Oc1ccccc1 1458a_100000210554_100009813826 [0,1,0,0,0,1|1,0,1]=4 6226 B16R1.6940 CC(C)CC(C)NC(=O)C[n+]1ccccc1 11a_100000692259_200000086051 [0,1,0,0,0,1|2,0,0]=4 6227 B16R1.6940 CC(C)CC(C)NC(=O)C[n+]1ccccc1 240690a_100000692259_200000086051 [0,1,0,0,0,1|2,0,0]=4 6228 B16R1.6940 CC(C)CC(C)NC(=O)C[n+]1ccccc1 527a_100000692259_200000086051 [0,1,0,0,0,1|2,0,0]=4 6229 B16R1.6940 CC(C)CC(C)NC(=O)Cc1ccccn1 11a_100000692259_100000233486 [0,1,0,0,0,1|2,0,0]=4 6230 B16R1.6940 CC(C)CC(C)NC(=O)Cc1cccnc1 11a_100000692259_100000737805 [0,1,0,0,0,1|2,0,0]=4 6231 B16R1.6940 CC(C)CC(C)NC(=O)Cc1cccnc1 240690a_100000692259_100000737805 [0,1,0,0,0,1|2,0,0]=4 6232 B16R1.6940 CC(C)CC(C)NC(=O)Cc1cccnc1 527a_100000692259_100000737805 [0,1,0,0,0,1|2,0,0]=4 6233 B16R1.6940 CC(C)CC(C)NC(=O)Cc1ccncc1 11a_100000692259_100011201483 [0,1,0,0,0,1|2,0,0]=4 6234 B16R1.6940 CC(C)CC(C)NC(=O)Cc1ccncc1 240690a_100000692259_100011201483 [0,1,0,0,0,1|2,0,0]=4 6235 B16R1.6940 CC(C)CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000692259 [0,1,0,0,0,1|1,0,0]=3 6236 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 34a_100000211805_200011218536 [0,1,0,0,0,1|1,0,1]=4 6237 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000731052 [0,1,0,0,0,1|1,0,1]=4 6238 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 7a_100000211805_200011218536 [0,1,0,0,0,1|1,0,1]=4 6239 B16R1.6940 CC(C)CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000731052 [0,1,0,0,0,1|1,0,1]=4 6240 B16R1.6940 CC(C)CN(C)CC(=O)Cc1ccccc1 2230a_100000747067_100000233483 [0,1,0,0,0,1|2,0,0]=4 6241 B16R1.6940 CC(C)CN(C)CC(=O)Cc1ccccc1 269982a_100000747067_100000233483 [0,1,0,0,0,1|2,0,0]=4 6242 B16R1.6940 CC(C)CN(C)CC(=O)Nc1ccccc1 2230a_100000747067_100000182850 [0,1,0,0,0,1|2,0,0]=4 6243 B16R1.6940 CC(C)CN(C)CC(=O)Nc1ccccc1 269982a_100000747067_100000182850 [0,1,0,0,0,1|2,0,0]=4 6244 B16R1.6940 CC(C)CN(C)CC(=O)Oc1ccccc1 2230a_100000747067_100009813826 [0,1,0,0,0,1|2,0,0]=4 6245 B16R1.6940 CC(C)CN(C)CC(=O)Oc1ccccc1 269982a_100000747067_100009813826 [0,1,0,0,0,1|2,0,0]=4 6246 B16R1.6940 CC(CN(C)C)NC(=O)Nc1ccccc1 2430a_100000106764_100016992788 [0,1,0,0,0,1|2,0,0]=4 6247 B16R1.7414 CC(=O)CCOC(=O)Nc1ccccc1Br 1458a_100000070787_100020589338 [0,1,0,0,0,1|1,0,1]=4 6248 B16R1.7414 CC(=O)CCOC(=O)Nc1ccccc1Cl 1458a_100000070787_200000178450 [0,1,0,0,0,1|1,0,1]=4 6249 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100011214892 [0,1,0,0,0,1|1,0,0]=3 6250 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Br 1458a_100011216857_100000184730 [0,1,0,0,0,1|1,0,0]=3 6251 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011214892 [0,1,0,0,0,1|1,0,0]=3 6252 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Cl 1458a_100011216857_100000187162 [0,1,0,0,0,1|1,0,0]=3 6253 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1F 1458a_100000212012_100011214892 [0,1,0,0,0,1|1,0,0]=3 6254 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1F 1458a_100011216857_100000187165 [0,1,0,0,0,1|1,0,0]=3 6255 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1I 1458a_100000036491_100011214892 [0,1,0,0,0,1|1,0,0]=3 6256 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1I 1458a_100011216857_100011216222 [0,1,0,0,0,1|1,0,0]=3 6257 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1O 1458a_100000743006_100011214892 [0,1,0,0,0,1|1,0,0]=3 6258 B16R1.7414 CC(C)CCCC(=O)Cc1cccnc1Br 1458a_100011216857_100010140945 [0,1,0,0,0,1|2,0,0]=4 6259 B16R1.7414 CC(C)CCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100011214892 [0,1,0,0,0,1|2,0,0]=4 6260 B16R1.7414 CC(C)CCCC(=O)Cc1cccnc1Cl 1458a_100011216857_100000045678 [0,1,0,0,0,1|2,0,0]=4 6261 B16R1.7414 CC(C)CCCC(=O)Cc1cccnc1F 1458a_100011216857_100000099810 [0,1,0,0,0,1|2,0,0]=4 6262 B16R1.7414 CC(C)CCCC(=O)Cc1ccncc1Cl 1458a_100011216857_100000763264 [0,1,0,0,0,1|2,0,0]=4 6263 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1Br 1458a_100011216857_100025702911 [0,1,0,0,0,1|2,0,0]=4 6264 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1Br 1458a_200012357574_100011214892 [0,1,0,0,0,1|2,0,0]=4 6265 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1Cl 1458a_100011216857_100000099807 [0,1,0,0,0,1|2,0,0]=4 6266 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100011214892 [0,1,0,0,0,1|2,0,0]=4 6267 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1F 1458a_100011216857_100000104219 [0,1,0,0,0,1|2,0,0]=4 6268 B16R1.7414 CC(C)CCCC(=O)Cc1ncccc1O 1458a_100011216857_200020655725 [0,1,0,0,0,1|2,0,0]=4 6269 B16R1.7414 CC(C)CCCC(=O)Cn1ccccc1=O 1458a_100000189665_100011214892 [0,1,0,0,0,1|2,0,0]=4 6270 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br 11a_100000210017_100011216857 [0,1,0,0,0,1|1,0,0]=3 6271 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100011216857 [0,1,0,0,0,1|1,0,0]=3 6272 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100011216857 [0,1,0,0,0,1|1,0,0]=3 6273 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100011216857 [0,1,0,0,0,1|1,0,0]=3 6274 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100011216857 [0,1,0,0,0,1|1,0,0]=3 6275 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100011216857 [0,1,0,0,0,1|1,0,0]=3 6276 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 11a_100000210422_100011216857 [0,1,0,0,0,1|1,0,0]=3 6277 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 1626a_100000210422_100011216857 [0,1,0,0,0,1|1,0,0]=3 6278 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 22a_100000210422_100011216857 [0,1,0,0,0,1|1,0,0]=3 6279 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 527a_100000210422_100011216857 [0,1,0,0,0,1|1,0,0]=3 6280 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I 11a_100000210053_100011216857 [0,1,0,0,0,1|1,0,0]=3 6281 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I 1626a_100000210053_100011216857 [0,1,0,0,0,1|1,0,0]=3 6282 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1O 22a_100000185747_100011216857 [0,1,0,0,0,1|1,0,0]=3 6283 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1O 527a_100000185747_100011216857 [0,1,0,0,0,1|1,0,0]=3 6284 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 11a_100000210545_100000751119 [0,1,0,0,0,1|1,0,0]=3 6285 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 240690a_100000210545_100000751119 [0,1,0,0,0,1|1,0,0]=3 6286 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 527a_100000210545_100000751119 [0,1,0,0,0,1|1,0,0]=3 6287 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 11a_100000210545_100000183793 [0,1,0,0,0,1|1,0,0]=3 6288 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 1626a_100000210545_100000183793 [0,1,0,0,0,1|1,0,0]=3 6289 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 240690a_100000210545_100000183793 [0,1,0,0,0,1|1,0,0]=3 6290 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 527a_100000210545_100000183793 [0,1,0,0,0,1|1,0,0]=3 6291 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 11a_100000210545_100000212012 [0,1,0,0,0,1|1,0,0]=3 6292 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 1626a_100000210545_100000212012 [0,1,0,0,0,1|1,0,0]=3 6293 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 240690a_100000210545_100000212012 [0,1,0,0,0,1|1,0,0]=3 6294 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 527a_100000210545_100000212012 [0,1,0,0,0,1|1,0,0]=3 6295 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 11a_100000210545_100000036491 [0,1,0,0,0,1|1,0,0]=3 6296 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 1626a_100000210545_100000036491 [0,1,0,0,0,1|1,0,0]=3 6297 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 240690a_100000210545_100000036491 [0,1,0,0,0,1|1,0,0]=3 6298 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 527a_100000210545_100000036491 [0,1,0,0,0,1|1,0,0]=3 6299 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O 240690a_100000210545_100000743006 [0,1,0,0,0,1|1,0,0]=3 6300 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O 527a_100000210545_100000743006 [0,1,0,0,0,1|1,0,0]=3 6301 B16R1.7414 CC(C)CCNC(=O)Cc1cccnc1Cl 11a_100000210545_100000093521 [0,1,0,0,0,1|2,0,0]=4 6302 B16R1.7414 CC(C)CCNC(=O)Cc1cccnc1Cl 1626a_100000210545_100000093521 [0,1,0,0,0,1|2,0,0]=4 6303 B16R1.7414 CC(C)CCNC(=O)Cc1cccnc1Cl 240690a_100000210545_100000093521 [0,1,0,0,0,1|2,0,0]=4 6304 B16R1.7414 CC(C)CCNC(=O)Cc1cccnc1Cl 527a_100000210545_100000093521 [0,1,0,0,0,1|2,0,0]=4 6305 B16R1.7414 CC(C)CCNC(=O)Cc1ncccc1Br 11a_100000210545_200012357574 [0,1,0,0,0,1|2,0,0]=4 6306 B16R1.7414 CC(C)CCNC(=O)Cc1ncccc1Br 240690a_100000210545_200012357574 [0,1,0,0,0,1|2,0,0]=4 6307 B16R1.7414 CC(C)CCNC(=O)Cc1ncccc1Cl 11a_100000210545_100011998755 [0,1,0,0,0,1|2,0,0]=4 6308 B16R1.7414 CC(C)CCNC(=O)Cc1ncccc1Cl 240690a_100000210545_100011998755 [0,1,0,0,0,1|2,0,0]=4 6309 B16R1.7414 CC(C)CCNC(=O)Cc1ncccc1Cl 527a_100000210545_100011998755 [0,1,0,0,0,1|2,0,0]=4 6310 B16R1.7414 CC(C)CCNC(=O)Cn1ccccc1=O 1626a_100000210545_100000189665 [0,1,0,0,0,1|2,0,0]=4 6311 B16R1.7414 CC(C)CCNC(=O)Cn1ccccc1=O 240690a_100000210545_100000189665 [0,1,0,0,0,1|2,0,0]=4 6312 B16R1.7414 CC(C)CCNC(=O)Cn1ccccc1=O 527a_100000210545_100000189665 [0,1,0,0,0,1|2,0,0]=4 6313 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210545 [0,1,0,0,0,1|1,0,0]=3 6314 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210545 [0,1,0,0,0,1|1,0,0]=3 6315 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1F 2430a_100000210422_100000210545 [0,1,0,0,0,1|1,0,0]=3 6316 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1I 2430a_100000210053_100000210545 [0,1,0,0,0,1|1,0,0]=3 6317 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1O 2430a_100000185747_100000210545 [0,1,0,0,0,1|1,0,0]=3 6318 B16R1.7414 CC(C)CNCC(=O)Cc1ccccc1Br 2230a_100000210953_100000700504 [0,1,0,0,0,1|2,0,0]=4 6319 B16R1.7414 CC(C)CNCC(=O)Cc1ccccc1Br 34a_100000210953_100000700504 [0,1,0,0,0,1|2,0,0]=4 6320 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1Br 2230a_100000210953_100000182372 [0,1,0,0,0,1|2,0,0]=4 6321 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1Br 2230a_100000683505_100000210760 [0,1,0,0,0,1|2,0,0]=4 6322 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1Br 270004a_100000683505_100000210432 [0,1,0,0,0,1|2,0,0]=4 6323 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1Cl 2230a_100000210953_100000182448 [0,1,0,0,0,1|2,0,0]=4 6324 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1Cl 34a_100000210953_100000182448 [0,1,0,0,0,1|2,0,0]=4 6325 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1F 2230a_100000210953_100000182988 [0,1,0,0,0,1|2,0,0]=4 6326 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1F 34a_100000210953_100000243840 [0,1,0,0,0,1|2,0,0]=4 6327 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1I 2230a_100000210953_100000180142 [0,1,0,0,0,1|2,0,0]=4 6328 B16R1.7414 CC(C)CNCC(=O)Nc1ccccc1I 34a_100000210953_100000180142 [0,1,0,0,0,1|2,0,0]=4 6329 B16R1.7414 CC(C)CNNC(=O)Cc1ccccc1Br 22a_100000696102_100000751119 [0,1,0,0,0,1|2,0,0]=4 6330 B16R1.7414 CC(C)CNNC(=O)Cc1ccccc1Cl 22a_100000696102_100000183793 [0,1,0,0,0,1|2,0,0]=4 6331 B16R1.7414 CC(C)CNNC(=O)Cc1ccccc1F 22a_100000696102_100000212012 [0,1,0,0,0,1|2,0,0]=4 6332 B16R1.7414 CC(C)CNNC(=O)Cc1ccccc1I 22a_100000696102_100000036491 [0,1,0,0,0,1|2,0,0]=4 6333 B16R1.7414 CC(C)CNNC(=O)Cc1ccccc1O 22a_100000696102_100000743006 [0,1,0,0,0,1|2,0,0]=4 6334 B16R1.7414 CC(C)COCC(=O)Cc1ccccc1Br 1458a_100011223364_100000184730 [0,1,0,0,0,1|2,0,0]=4 6335 B16R1.7414 CC(C)COCC(=O)Cc1ccccc1Br 34a_100000210257_100000700504 [0,1,0,0,0,1|2,0,0]=4 6336 B16R1.7414 CC(C)COCC(=O)Cc1ccccc1Cl 1458a_100011223364_100000187162 [0,1,0,0,0,1|2,0,0]=4 6337 B16R1.7414 CC(C)COCC(=O)Cc1ccccc1F 1458a_100011223364_100000187165 [0,1,0,0,0,1|2,0,0]=4 6338 B16R1.7414 CC(C)COCC(=O)Cc1ccccc1I 1458a_100011223364_100011216222 [0,1,0,0,0,1|2,0,0]=4 6339 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Br 11a_100000210017_100011223364 [0,1,0,0,0,1|2,0,0]=4 6340 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Br 1626a_100000210017_100011223364 [0,1,0,0,0,1|2,0,0]=4 6341 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Cl 11a_100000185783_100011223364 [0,1,0,0,0,1|2,0,0]=4 6342 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100011223364 [0,1,0,0,0,1|2,0,0]=4 6343 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Cl 22a_100000185783_100011223364 [0,1,0,0,0,1|2,0,0]=4 6344 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Cl 34a_100000210257_100000182448 [0,1,0,0,0,1|2,0,0]=4 6345 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1Cl 527a_100000185783_100011223364 [0,1,0,0,0,1|2,0,0]=4 6346 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1F 11a_100000210422_100011223364 [0,1,0,0,0,1|2,0,0]=4 6347 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1F 1626a_100000210422_100011223364 [0,1,0,0,0,1|2,0,0]=4 6348 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1F 22a_100000210422_100011223364 [0,1,0,0,0,1|2,0,0]=4 6349 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1F 34a_100000210257_100000243840 [0,1,0,0,0,1|2,0,0]=4 6350 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1F 527a_100000210422_100011223364 [0,1,0,0,0,1|2,0,0]=4 6351 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1I 11a_100000210053_100011223364 [0,1,0,0,0,1|2,0,0]=4 6352 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1I 1626a_100000210053_100011223364 [0,1,0,0,0,1|2,0,0]=4 6353 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1I 34a_100000210257_100000180142 [0,1,0,0,0,1|2,0,0]=4 6354 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1O 22a_100000185747_100011223364 [0,1,0,0,0,1|2,0,0]=4 6355 B16R1.7414 CC(C)COCC(=O)Nc1ccccc1O 527a_100000185747_100011223364 [0,1,0,0,0,1|2,0,0]=4 6356 B16R1.7414 CC(C)CSCC(=O)Cc1ccccc1Br 62a_100000210624_100000700504 [0,1,0,0,0,1|2,0,0]=4 6357 B16R1.7414 CC(C)CSCC(=O)Cc1ccccc1Br 62a_100000700504_100000210760 [0,1,0,0,0,1|2,0,0]=4 6358 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1Br 62a_100000182372_100000210760 [0,1,0,0,0,1|2,0,0]=4 6359 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1Br 62a_100000210624_100000182372 [0,1,0,0,0,1|2,0,0]=4 6360 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1Cl 62a_100000210624_100000182448 [0,1,0,0,0,1|2,0,0]=4 6361 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1Cl 62a_200011202291_100000210760 [0,1,0,0,0,1|2,0,0]=4 6362 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1F 62a_100000182988_100000210760 [0,1,0,0,0,1|2,0,0]=4 6363 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1F 62a_100000210624_100000182988 [0,1,0,0,0,1|2,0,0]=4 6364 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1I 62a_100000180142_100000210760 [0,1,0,0,0,1|2,0,0]=4 6365 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1I 62a_100000210624_100000180142 [0,1,0,0,0,1|2,0,0]=4 6366 B16R1.7414 CC(C)CSCC(=O)Nc1ccccc1O 62a_100000210624_100000014494 [0,1,0,0,0,1|2,0,0]=4 6367 B16R1.7414 CC(C)NCCC(=O)Nc1ccccc1Br 2230a_100138425928_100000181489 [0,1,0,0,0,1|2,0,0]=4 6368 B16R1.7414 CC(C)NCCC(=O)Nc1ccccc1Cl 2230a_100138425928_100000242055 [0,1,0,0,0,1|2,0,0]=4 6369 B16R1.7414 CC(C)NCCC(=O)Nc1ccccc1F 2230a_100015185137_100000210206 [0,1,0,0,0,1|2,0,0]=4 6370 B16R1.7414 CC(C)NCCC(=O)Nc1ccccc1F 2230a_100138425928_100000242066 [0,1,0,0,0,1|2,0,0]=4 6371 B16R1.7414 CC(C)NCCC(=O)Nc1ccccc1F 34a_100015185137_100000210206 [0,1,0,0,0,1|2,0,0]=4 6372 B16R1.7414 CC(C)OCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000211751 [0,1,0,0,0,1|2,0,0]=4 6373 B16R1.7414 CC(C)OCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000211751 [0,1,0,0,0,1|2,0,0]=4 6374 B16R1.7414 CC(C)OCCC(=O)Cc1ccccc1F 1458a_100000212012_100000211751 [0,1,0,0,0,1|2,0,0]=4 6375 B16R1.7414 CC(C)OCCC(=O)Cc1ccccc1I 1458a_100000036491_100000211751 [0,1,0,0,0,1|2,0,0]=4 6376 B16R1.7414 CC(C)OCCC(=O)Cc1ccccc1O 1458a_100000743006_100000211751 [0,1,0,0,0,1|2,0,0]=4 6377 B16R1.7414 CC(C)SCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000730970 [0,1,0,0,0,1|2,0,0]=4 6378 B16R1.7414 CC(C)SCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000730970 [0,1,0,0,0,1|2,0,0]=4 6379 B16R1.7414 CC(C)SCCC(=O)Cc1ccccc1F 1458a_100000212012_100000730970 [0,1,0,0,0,1|2,0,0]=4 6380 B16R1.7414 CC(C)SCCC(=O)Cc1ccccc1I 1458a_100000036491_100000730970 [0,1,0,0,0,1|2,0,0]=4 6381 B16R1.7414 CC(C)SCCC(=O)Cc1ccccc1O 1458a_100000743006_100000730970 [0,1,0,0,0,1|2,0,0]=4 6382 B16R1.7414 CC(C)SCCC(=O)Nc1ccccc1Br 62a_100000181489_100000210206 [0,1,0,0,0,1|2,0,0]=4 6383 B16R1.7414 CC(C)SCCC(=O)Nc1ccccc1Br 62a_100000210206_100000181489 [0,1,0,0,0,1|2,0,0]=4 6384 B16R1.7414 CC(C)SCCC(=O)Nc1ccccc1Cl 62a_100000210206_100000242055 [0,1,0,0,0,1|2,0,0]=4 6385 B16R1.7414 CC(C)SCCC(=O)Nc1ccccc1F 62a_100000210206_100000242066 [0,1,0,0,0,1|2,0,0]=4 6386 B16R1.7414 CC(C)SCCC(=O)Nc1ccccc1F 62a_100011216740_100000210206 [0,1,0,0,0,1|2,0,0]=4 6387 B16R1.7414 CC(O)CCCC(=O)Cc1ccccc1Br 1458a_100000751119_200000718107 [0,1,0,0,0,1|2,0,0]=4 6388 B16R1.7414 CC(O)CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_200000718107 [0,1,0,0,0,1|2,0,0]=4 6389 B16R1.7414 CC(O)CCCC(=O)Cc1ccccc1F 1458a_100000212012_200000718107 [0,1,0,0,0,1|2,0,0]=4 6390 B16R1.7414 CC(O)CCCC(=O)Cc1ccccc1I 1458a_100000036491_200000718107 [0,1,0,0,0,1|2,0,0]=4 6391 B16R1.7414 CC(O)CCCC(=O)Cc1ccccc1O 1458a_100000743006_200000718107 [0,1,0,0,0,1|2,0,0]=4 6392 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000761597 [0,1,0,0,0,1|2,0,0]=4 6393 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000761597 [0,1,0,0,0,1|2,0,0]=4 6394 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000761597 [0,1,0,0,0,1|2,0,0]=4 6395 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000761597 [0,1,0,0,0,1|2,0,0]=4 6396 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000761597 [0,1,0,0,0,1|2,0,0]=4 6397 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1F 22a_100000210422_100000761597 [0,1,0,0,0,1|2,0,0]=4 6398 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1F 527a_100000210422_100000761597 [0,1,0,0,0,1|2,0,0]=4 6399 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000761597 [0,1,0,0,0,1|2,0,0]=4 6400 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1O 22a_100000185747_100000761597 [0,1,0,0,0,1|2,0,0]=4 6401 B16R1.7414 CC(O)CCCC(=O)Nc1ccccc1O 527a_100000185747_100000761597 [0,1,0,0,0,1|2,0,0]=4 6402 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1Br 240690a_200000755665_100000751119 [0,1,0,0,0,1|2,0,0]=4 6403 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1Br 527a_200000755665_100000751119 [0,1,0,0,0,1|2,0,0]=4 6404 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1Cl 240690a_200000755665_100000183793 [0,1,0,0,0,1|2,0,0]=4 6405 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1Cl 527a_200000755665_100000183793 [0,1,0,0,0,1|2,0,0]=4 6406 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1F 240690a_200000755665_100000212012 [0,1,0,0,0,1|2,0,0]=4 6407 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1F 527a_200000755665_100000212012 [0,1,0,0,0,1|2,0,0]=4 6408 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1I 240690a_200000755665_100000036491 [0,1,0,0,0,1|2,0,0]=4 6409 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1I 527a_200000755665_100000036491 [0,1,0,0,0,1|2,0,0]=4 6410 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1O 240690a_200000755665_100000743006 [0,1,0,0,0,1|2,0,0]=4 6411 B16R1.7414 CC(O)CCNC(=O)Cc1ccccc1O 527a_200000755665_100000743006 [0,1,0,0,0,1|2,0,0]=4 6412 B16R1.7414 CC(O)CCNC(=O)Nc1ccccc1Br 2430a_100000210017_200000755665 [0,1,0,0,0,1|2,0,0]=4 6413 B16R1.7414 CC(O)CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_200000755665 [0,1,0,0,0,1|2,0,0]=4 6414 B16R1.7414 CC(O)CCNC(=O)Nc1ccccc1F 2430a_100000210422_200000755665 [0,1,0,0,0,1|2,0,0]=4 6415 B16R1.7414 CC(O)CCNC(=O)Nc1ccccc1I 2430a_100000210053_200000755665 [0,1,0,0,0,1|2,0,0]=4 6416 B16R1.7414 CC(O)CCNC(=O)Nc1ccccc1O 2430a_100000185747_200000755665 [0,1,0,0,0,1|2,0,0]=4 6417 B16R1.7414 CN(C)CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000695564 [0,1,0,0,0,1|2,0,0]=4 6418 B16R1.7414 CN(C)CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000695564 [0,1,0,0,0,1|2,0,0]=4 6419 B16R1.7414 CN(C)CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000695564 [0,1,0,0,0,1|2,0,0]=4 6420 B16R1.7414 CN(C)CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000695564 [0,1,0,0,0,1|2,0,0]=4 6421 B16R1.7414 CN(C)CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000695564 [0,1,0,0,0,1|2,0,0]=4 6422 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000740757 [0,1,0,0,0,1|2,0,0]=4 6423 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000740757 [0,1,0,0,0,1|2,0,0]=4 6424 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000740757 [0,1,0,0,0,1|2,0,0]=4 6425 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1F 11a_100000210422_100000740757 [0,1,0,0,0,1|2,0,0]=4 6426 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1F 22a_100000210422_100000740757 [0,1,0,0,0,1|2,0,0]=4 6427 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1I 11a_100000210053_100000740757 [0,1,0,0,0,1|2,0,0]=4 6428 B16R1.7414 CN(C)CCCC(=O)Nc1ccccc1O 22a_100000185747_100000740757 [0,1,0,0,0,1|2,0,0]=4 6429 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1Br 240690a_100000210585_100000751119 [0,1,0,0,0,1|2,0,0]=4 6430 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1Br 527a_100000210585_100000751119 [0,1,0,0,0,1|2,0,0]=4 6431 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1Cl 240690a_100000210585_100000183793 [0,1,0,0,0,1|2,0,0]=4 6432 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1Cl 527a_100000210585_100000183793 [0,1,0,0,0,1|2,0,0]=4 6433 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1F 240690a_100000210585_100000212012 [0,1,0,0,0,1|2,0,0]=4 6434 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1F 527a_100000210585_100000212012 [0,1,0,0,0,1|2,0,0]=4 6435 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1I 240690a_100000210585_100000036491 [0,1,0,0,0,1|2,0,0]=4 6436 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1I 527a_100000210585_100000036491 [0,1,0,0,0,1|2,0,0]=4 6437 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1O 240690a_100000210585_100000743006 [0,1,0,0,0,1|2,0,0]=4 6438 B16R1.7414 CN(C)CCNC(=O)Cc1ccccc1O 527a_100000210585_100000743006 [0,1,0,0,0,1|2,0,0]=4 6439 B16R1.7414 CN(C)CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210585 [0,1,0,0,0,1|2,0,0]=4 6440 B16R1.7414 CN(C)CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210585 [0,1,0,0,0,1|2,0,0]=4 6441 B16R1.7414 CN(C)CCNC(=O)Nc1ccccc1F 2430a_100000210422_100000210585 [0,1,0,0,0,1|2,0,0]=4 6442 B16R1.7414 CN(C)CCNC(=O)Nc1ccccc1I 2430a_100000210053_100000210585 [0,1,0,0,0,1|2,0,0]=4 6443 B16R1.7414 CN(C)CCNC(=O)Nc1ccccc1O 2430a_100000185747_100000210585 [0,1,0,0,0,1|2,0,0]=4 6444 B16R1.7414 CN(C)CCOC(=O)Nc1ccccc1Br 269982a_100102631434_100020589338 [0,1,0,0,0,1|1,0,0]=3 6445 B16R1.7414 CN(C)CCOC(=O)Nc1ccccc1Cl 269982a_100102631434_200000178450 [0,1,0,0,0,1|1,0,0]=3 6446 B16R1.7414 Cc1ccccc1CC(=O)CCCC(C)C 1458a_100000212180_100011214892 [0,1,0,0,0,1|1,0,0]=3 6447 B16R1.7414 Cc1ccccc1CC(=O)CCCC(C)C 1458a_100011216857_100000211839 [0,1,0,0,0,1|1,0,0]=3 6448 B16R1.7414 Cc1ccccc1CC(=O)CCCC(C)O 1458a_100000212180_200000718107 [0,1,0,0,0,1|2,0,0]=4 6449 B16R1.7414 Cc1ccccc1CC(=O)CCCN(C)C 1458a_100000212180_100000695564 [0,1,0,0,0,1|2,0,0]=4 6450 B16R1.7414 Cc1ccccc1CC(=O)CCOC(C)C 1458a_100000212180_100000211751 [0,1,0,0,0,1|2,0,0]=4 6451 B16R1.7414 Cc1ccccc1CC(=O)CCSC(C)C 1458a_100000212180_100000730970 [0,1,0,0,0,1|2,0,0]=4 6452 B16R1.7414 Cc1ccccc1CC(=O)CNCC(C)C 2230a_100000210953_100011223134 [0,1,0,0,0,1|2,0,0]=4 6453 B16R1.7414 Cc1ccccc1CC(=O)COCC(C)C 1458a_100011223364_100000211839 [0,1,0,0,0,1|2,0,0]=4 6454 B16R1.7414 Cc1ccccc1CC(=O)CSCC(C)C 62a_100000210624_100011223134 [0,1,0,0,0,1|2,0,0]=4 6455 B16R1.7414 Cc1ccccc1CC(=O)CSCC(C)C 62a_100011223134_100000210760 [0,1,0,0,0,1|2,0,0]=4 6456 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 11a_100000210545_100000212180 [0,1,0,0,0,1|1,0,0]=3 6457 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 1626a_100000210545_100000212180 [0,1,0,0,0,1|1,0,0]=3 6458 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 240690a_100000210545_100000212180 [0,1,0,0,0,1|1,0,0]=3 6459 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 527a_100000210545_100000212180 [0,1,0,0,0,1|1,0,0]=3 6460 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)O 240690a_200000755665_100000212180 [0,1,0,0,0,1|2,0,0]=4 6461 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)O 527a_200000755665_100000212180 [0,1,0,0,0,1|2,0,0]=4 6462 B16R1.7414 Cc1ccccc1CC(=O)NCCN(C)C 240690a_100000210585_100000212180 [0,1,0,0,0,1|2,0,0]=4 6463 B16R1.7414 Cc1ccccc1CC(=O)NCCN(C)C 527a_100000210585_100000212180 [0,1,0,0,0,1|2,0,0]=4 6464 B16R1.7414 Cc1ccccc1CC(=O)NNCC(C)C 22a_100000696102_100000212180 [0,1,0,0,0,1|2,0,0]=4 6465 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 11a_100015192222_100011216857 [0,1,0,0,0,1|1,0,0]=3 6466 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 1626a_100015192222_100011216857 [0,1,0,0,0,1|1,0,0]=3 6467 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 22a_100015192222_100011216857 [0,1,0,0,0,1|1,0,0]=3 6468 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 527a_100015192222_100011216857 [0,1,0,0,0,1|1,0,0]=3 6469 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)O 1626a_100015192222_100000761597 [0,1,0,0,0,1|2,0,0]=4 6470 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)O 22a_100015192222_100000761597 [0,1,0,0,0,1|2,0,0]=4 6471 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)O 527a_100015192222_100000761597 [0,1,0,0,0,1|2,0,0]=4 6472 B16R1.7414 Cc1ccccc1NC(=O)CCCN(C)C 11a_100015192222_100000740757 [0,1,0,0,0,1|2,0,0]=4 6473 B16R1.7414 Cc1ccccc1NC(=O)CCCN(C)C 22a_100015192222_100000740757 [0,1,0,0,0,1|2,0,0]=4 6474 B16R1.7414 Cc1ccccc1NC(=O)CCNC(C)C 2230a_100138425928_200011206476 [0,1,0,0,0,1|2,0,0]=4 6475 B16R1.7414 Cc1ccccc1NC(=O)CCNC(C)C 2230a_200015185780_100000210206 [0,1,0,0,0,1|2,0,0]=4 6476 B16R1.7414 Cc1ccccc1NC(=O)CCNC(C)C 34a_200015185780_100000210206 [0,1,0,0,0,1|2,0,0]=4 6477 B16R1.7414 Cc1ccccc1NC(=O)CCSC(C)C 62a_100000210206_200011206476 [0,1,0,0,0,1|2,0,0]=4 6478 B16R1.7414 Cc1ccccc1NC(=O)CNCC(C)C 2230a_100000210953_100000183529 [0,1,0,0,0,1|2,0,0]=4 6479 B16R1.7414 Cc1ccccc1NC(=O)CNCC(C)C 2230a_100015186652_100000210760 [0,1,0,0,0,1|2,0,0]=4 6480 B16R1.7414 Cc1ccccc1NC(=O)CNCC(C)C 270004a_100015186652_100000210432 [0,1,0,0,0,1|2,0,0]=4 6481 B16R1.7414 Cc1ccccc1NC(=O)CNCC(C)C 34a_100000210953_100000183529 [0,1,0,0,0,1|2,0,0]=4 6482 B16R1.7414 Cc1ccccc1NC(=O)COCC(C)C 11a_100015192222_100011223364 [0,1,0,0,0,1|2,0,0]=4 6483 B16R1.7414 Cc1ccccc1NC(=O)COCC(C)C 1626a_100015192222_100011223364 [0,1,0,0,0,1|2,0,0]=4 6484 B16R1.7414 Cc1ccccc1NC(=O)COCC(C)C 22a_100015192222_100011223364 [0,1,0,0,0,1|2,0,0]=4 6485 B16R1.7414 Cc1ccccc1NC(=O)COCC(C)C 34a_100000210257_100000183529 [0,1,0,0,0,1|2,0,0]=4 6486 B16R1.7414 Cc1ccccc1NC(=O)COCC(C)C 527a_100015192222_100011223364 [0,1,0,0,0,1|2,0,0]=4 6487 B16R1.7414 Cc1ccccc1NC(=O)CSCC(C)C 62a_100000210624_100000183529 [0,1,0,0,0,1|2,0,0]=4 6488 B16R1.7414 Cc1ccccc1NC(=O)NCCC(C)C 2430a_100015192222_100000210545 [0,1,0,0,0,1|1,0,0]=3 6489 B16R1.7414 Cc1ccccc1NC(=O)NCCC(C)O 2430a_100015192222_200000755665 [0,1,0,0,0,1|2,0,0]=4 6490 B16R1.7414 Cc1ccccc1NC(=O)NCCN(C)C 2430a_100015192222_100000210585 [0,1,0,0,0,1|2,0,0]=4 6491 B16R1.7414 Cc1cccnc1CC(=O)CCCC(C)C 1458a_100011216857_100000696600 [0,1,0,0,0,1|2,0,0]=4 6492 B16R1.7414 Cc1cccnc1CC(=O)CCCC(C)C 1458a_200000722269_100011214892 [0,1,0,0,0,1|2,0,0]=4 6493 B16R1.7414 Cc1cccnc1CC(=O)NCCC(C)C 11a_100000210545_200000722269 [0,1,0,0,0,1|2,0,0]=4 6494 B16R1.7414 Cc1cccnc1CC(=O)NCCC(C)C 1626a_100000210545_200000722269 [0,1,0,0,0,1|2,0,0]=4 6495 B16R1.7414 Cc1cccnc1CC(=O)NCCC(C)C 240690a_100000210545_200000722269 [0,1,0,0,0,1|2,0,0]=4 6496 B16R1.7414 Cc1ccncc1CC(=O)CCCC(C)C 1458a_100011216857_100000690890 [0,1,0,0,0,1|2,0,0]=4 6497 B16R1.7414 Cc1cnccc1CC(=O)CCCC(C)C 1458a_100011216857_100020672808 [0,1,0,0,0,1|2,0,0]=4 6498 B16R1.7414 Cc1ncccc1CC(=O)CCCC(C)C 1458a_100011216857_100000732876 [0,1,0,0,0,1|2,0,0]=4 6499 B16R1.11236 CC(=O)CCOC(=O)Nc1cccc(c1)Br 1458a_100000070787_100015757870 [0,1,0,0,0,1|1,0,1]=4 6500 B16R1.11236 CC(C)CCCC(=O)Cc1cc(ccn1)Br 1458a_100011216857_100010173614 [0,1,0,0,0,1|2,0,0]=4 6501 B16R1.11236 CC(C)CCCC(=O)Cc1cc(ccn1)Cl 1458a_100011216857_100016988179 [0,1,0,0,0,1|2,0,0]=4 6502 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011214892 [0,1,0,0,0,1|1,0,0]=3 6503 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Br 1458a_100011216857_100000211773 [0,1,0,0,0,1|1,0,0]=3 6504 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011214892 [0,1,0,0,0,1|1,0,0]=3 6505 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Cl 1458a_100011216857_100000181238 [0,1,0,0,0,1|1,0,0]=3 6506 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100011214892 [0,1,0,0,0,1|1,0,0]=3 6507 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)F 1458a_100011216857_100000230114 [0,1,0,0,0,1|1,0,0]=3 6508 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100011214892 [0,1,0,0,0,1|1,0,0]=3 6509 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)I 1458a_100011216857_100011218688 [0,1,0,0,0,1|1,0,0]=3 6510 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100011214892 [0,1,0,0,0,1|1,0,0]=3 6511 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)O 1458a_100011216857_100011660834 [0,1,0,0,0,1|1,0,0]=3 6512 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100011214892 [0,1,0,0,0,1|2,0,0]=4 6513 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)Br 1458a_100011216857_100009889011 [0,1,0,0,0,1|2,0,0]=4 6514 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100011214892 [0,1,0,0,0,1|2,0,0]=4 6515 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)Cl 1458a_100011216857_100000086093 [0,1,0,0,0,1|2,0,0]=4 6516 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100011214892 [0,1,0,0,0,1|2,0,0]=4 6517 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(n1)F 1458a_100011216857_100009819644 [0,1,0,0,0,1|2,0,0]=4 6518 B16R1.11236 CC(C)CCCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100011214892 [0,1,0,0,0,1|2,0,0]=4 6519 B16R1.11236 CC(C)CCCC(=O)Cc1ccnc(c1)Br 1458a_100011216857_100010243470 [0,1,0,0,0,1|2,0,0]=4 6520 B16R1.11236 CC(C)CCCC(=O)Cc1ccnc(c1)Cl 1458a_100011216857_100000764220 [0,1,0,0,0,1|2,0,0]=4 6521 B16R1.11236 CC(C)CCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100011214892 [0,1,0,0,0,1|2,0,0]=4 6522 B16R1.11236 CC(C)CCCC(=O)Cc1cncc(c1)Br 1458a_100011216857_100011740620 [0,1,0,0,0,1|2,0,0]=4 6523 B16R1.11236 CC(C)CCCC(=O)Cc1cncc(c1)Cl 1458a_100011216857_100016992070 [0,1,0,0,0,1|2,0,0]=4 6524 B16R1.11236 CC(C)CCCC(=O)Cc1cncc(c1)F 1458a_100011216857_100000725299 [0,1,0,0,0,1|2,0,0]=4 6525 B16R1.11236 CC(C)CCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100011214892 [0,1,0,0,0,1|2,0,0]=4 6526 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100011216857 [0,1,0,0,0,1|1,0,0]=3 6527 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011216857 [0,1,0,0,0,1|1,0,0]=3 6528 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100011216857 [0,1,0,0,0,1|1,0,0]=3 6529 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011216857 [0,1,0,0,0,1|1,0,0]=3 6530 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100011216857 [0,1,0,0,0,1|1,0,0]=3 6531 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011216857 [0,1,0,0,0,1|1,0,0]=3 6532 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011216857 [0,1,0,0,0,1|1,0,0]=3 6533 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100011216857 [0,1,0,0,0,1|1,0,0]=3 6534 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100011216857 [0,1,0,0,0,1|1,0,0]=3 6535 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100011216857 [0,1,0,0,0,1|1,0,0]=3 6536 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100011216857 [0,1,0,0,0,1|1,0,0]=3 6537 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100011216857 [0,1,0,0,0,1|1,0,0]=3 6538 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100011216857 [0,1,0,0,0,1|1,0,0]=3 6539 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100011216857 [0,1,0,0,0,1|1,0,0]=3 6540 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100011216857 [0,1,0,0,0,1|1,0,0]=3 6541 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100011216857 [0,1,0,0,0,1|1,0,0]=3 6542 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100011216857 [0,1,0,0,0,1|1,0,0]=3 6543 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100011216857 [0,1,0,0,0,1|1,0,0]=3 6544 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 11a_100000210545_100000747190 [0,1,0,0,0,1|1,0,0]=3 6545 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 240690a_100000210545_100000747190 [0,1,0,0,0,1|1,0,0]=3 6546 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 527a_100000210545_100000747190 [0,1,0,0,0,1|1,0,0]=3 6547 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 11a_100000210545_100000749307 [0,1,0,0,0,1|1,0,0]=3 6548 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 1626a_100000210545_100000749307 [0,1,0,0,0,1|1,0,0]=3 6549 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 240690a_100000210545_100000749307 [0,1,0,0,0,1|1,0,0]=3 6550 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 527a_100000210545_100000749307 [0,1,0,0,0,1|1,0,0]=3 6551 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 11a_100000210545_100000211661 [0,1,0,0,0,1|1,0,0]=3 6552 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 1626a_100000210545_100000211661 [0,1,0,0,0,1|1,0,0]=3 6553 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 240690a_100000210545_100000211661 [0,1,0,0,0,1|1,0,0]=3 6554 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 527a_100000210545_100000211661 [0,1,0,0,0,1|1,0,0]=3 6555 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 11a_100000210545_100000238430 [0,1,0,0,0,1|1,0,0]=3 6556 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 1626a_100000210545_100000238430 [0,1,0,0,0,1|1,0,0]=3 6557 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 240690a_100000210545_100000238430 [0,1,0,0,0,1|1,0,0]=3 6558 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 527a_100000210545_100000238430 [0,1,0,0,0,1|1,0,0]=3 6559 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O 240690a_100000210545_100000745134 [0,1,0,0,0,1|1,0,0]=3 6560 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O 527a_100000210545_100000745134 [0,1,0,0,0,1|1,0,0]=3 6561 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Br 11a_100000210545_100010201708 [0,1,0,0,0,1|2,0,0]=4 6562 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Br 240690a_100000210545_100010201708 [0,1,0,0,0,1|2,0,0]=4 6563 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Br 527a_100000210545_100010201708 [0,1,0,0,0,1|2,0,0]=4 6564 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Cl 11a_100000210545_100000090259 [0,1,0,0,0,1|2,0,0]=4 6565 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Cl 1626a_100000210545_100000090259 [0,1,0,0,0,1|2,0,0]=4 6566 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)Cl 240690a_100000210545_100000090259 [0,1,0,0,0,1|2,0,0]=4 6567 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)F 11a_100000210545_100000096803 [0,1,0,0,0,1|2,0,0]=4 6568 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)F 1626a_100000210545_100000096803 [0,1,0,0,0,1|2,0,0]=4 6569 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(n1)F 240690a_100000210545_100000096803 [0,1,0,0,0,1|2,0,0]=4 6570 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Br 11a_100000210545_100010126891 [0,1,0,0,0,1|2,0,0]=4 6571 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Br 240690a_100000210545_100010126891 [0,1,0,0,0,1|2,0,0]=4 6572 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Br 527a_100000210545_100010126891 [0,1,0,0,0,1|2,0,0]=4 6573 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Cl 11a_100000210545_100000085289 [0,1,0,0,0,1|2,0,0]=4 6574 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Cl 1626a_100000210545_100000085289 [0,1,0,0,0,1|2,0,0]=4 6575 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Cl 240690a_100000210545_100000085289 [0,1,0,0,0,1|2,0,0]=4 6576 B16R1.11236 CC(C)CCNC(=O)Cc1ccnc(c1)Cl 527a_100000210545_100000085289 [0,1,0,0,0,1|2,0,0]=4 6577 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)Br 11a_100000210545_100000239331 [0,1,0,0,0,1|2,0,0]=4 6578 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)Br 240690a_100000210545_100000239331 [0,1,0,0,0,1|2,0,0]=4 6579 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)Br 527a_100000210545_100000239331 [0,1,0,0,0,1|2,0,0]=4 6580 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)F 11a_100000210545_100011667516 [0,1,0,0,0,1|2,0,0]=4 6581 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)F 240690a_100000210545_100011667516 [0,1,0,0,0,1|2,0,0]=4 6582 B16R1.11236 CC(C)CCNC(=O)Cc1cncc(c1)F 527a_100000210545_100011667516 [0,1,0,0,0,1|2,0,0]=4 6583 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210545 [0,1,0,0,0,1|1,0,0]=3 6584 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210545 [0,1,0,0,0,1|1,0,0]=3 6585 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210545 [0,1,0,0,0,1|1,0,0]=3 6586 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210545 [0,1,0,0,0,1|1,0,0]=3 6587 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210545 [0,1,0,0,0,1|1,0,0]=3 6588 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210545 [0,1,0,0,0,1|1,0,0]=3 6589 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210545 [0,1,0,0,0,1|1,0,0]=3 6590 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210545 [0,1,0,0,0,1|1,0,0]=3 6591 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210545 [0,1,0,0,0,1|1,0,0]=3 6592 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Br 2230a_100000210953_100000183509 [0,1,0,0,0,1|2,0,0]=4 6593 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Br 34a_100000210953_100000183509 [0,1,0,0,0,1|2,0,0]=4 6594 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Cl 2230a_100000210953_100000182995 [0,1,0,0,0,1|2,0,0]=4 6595 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_100000210760 [0,1,0,0,0,1|2,0,0]=4 6596 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Cl 270004a_100102560372_100000210432 [0,1,0,0,0,1|2,0,0]=4 6597 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)Cl 34a_100000210953_100000182995 [0,1,0,0,0,1|2,0,0]=4 6598 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_100000210760 [0,1,0,0,0,1|2,0,0]=4 6599 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)F 2230a_100000210953_100000183335 [0,1,0,0,0,1|2,0,0]=4 6600 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)F 270004a_100000168492_100000210432 [0,1,0,0,0,1|2,0,0]=4 6601 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)F 34a_100000168492_100000210624 [0,1,0,0,0,1|2,0,0]=4 6602 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)F 34a_100000210953_100000183335 [0,1,0,0,0,1|2,0,0]=4 6603 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)O 2230a_100000210953_100011236192 [0,1,0,0,0,1|2,0,0]=4 6604 B16R1.11236 CC(C)CNCC(=O)Nc1cccc(c1)O 34a_100000210953_100011236192 [0,1,0,0,0,1|2,0,0]=4 6605 B16R1.11236 CC(C)CNNC(=O)Cc1cccc(c1)Br 22a_100000696102_100000747190 [0,1,0,0,0,1|2,0,0]=4 6606 B16R1.11236 CC(C)CNNC(=O)Cc1cccc(c1)Cl 22a_100000696102_100000749307 [0,1,0,0,0,1|2,0,0]=4 6607 B16R1.11236 CC(C)CNNC(=O)Cc1cccc(c1)F 22a_100000696102_100000211661 [0,1,0,0,0,1|2,0,0]=4 6608 B16R1.11236 CC(C)CNNC(=O)Cc1cccc(c1)I 22a_100000696102_100000238430 [0,1,0,0,0,1|2,0,0]=4 6609 B16R1.11236 CC(C)CNNC(=O)Cc1cccc(c1)O 22a_100000696102_100000745134 [0,1,0,0,0,1|2,0,0]=4 6610 B16R1.11236 CC(C)CNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000696102 [0,1,0,0,0,1|2,0,0]=4 6611 B16R1.11236 CC(C)CNNC(=O)Nc1cccc(c1)F 512a_100000210047_100000696102 [0,1,0,0,0,1|2,0,0]=4 6612 B16R1.11236 CC(C)CNNC(=O)Nc1cccc(c1)I 512a_100000211102_100000696102 [0,1,0,0,0,1|2,0,0]=4 6613 B16R1.11236 CC(C)CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100000696102 [0,1,0,0,0,1|2,0,0]=4 6614 B16R1.11236 CC(C)COCC(=O)Cc1cccc(c1)Br 1458a_100011223364_100000211773 [0,1,0,0,0,1|2,0,0]=4 6615 B16R1.11236 CC(C)COCC(=O)Cc1cccc(c1)Cl 1458a_100011223364_100000181238 [0,1,0,0,0,1|2,0,0]=4 6616 B16R1.11236 CC(C)COCC(=O)Cc1cccc(c1)F 1458a_100011223364_100000230114 [0,1,0,0,0,1|2,0,0]=4 6617 B16R1.11236 CC(C)COCC(=O)Cc1cccc(c1)I 1458a_100011223364_100011218688 [0,1,0,0,0,1|2,0,0]=4 6618 B16R1.11236 CC(C)COCC(=O)Cc1cccc(c1)O 1458a_100011223364_100011660834 [0,1,0,0,0,1|2,0,0]=4 6619 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Br 11a_100000210019_100011223364 [0,1,0,0,0,1|2,0,0]=4 6620 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011223364 [0,1,0,0,0,1|2,0,0]=4 6621 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Br 22a_100000210019_100011223364 [0,1,0,0,0,1|2,0,0]=4 6622 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Br 34a_100000210257_100000183509 [0,1,0,0,0,1|2,0,0]=4 6623 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011223364 [0,1,0,0,0,1|2,0,0]=4 6624 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100011223364 [0,1,0,0,0,1|2,0,0]=4 6625 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011223364 [0,1,0,0,0,1|2,0,0]=4 6626 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011223364 [0,1,0,0,0,1|2,0,0]=4 6627 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)Cl 34a_100000210257_100000182995 [0,1,0,0,0,1|2,0,0]=4 6628 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)F 11a_100000210047_100011223364 [0,1,0,0,0,1|2,0,0]=4 6629 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)F 1626a_100000210047_100011223364 [0,1,0,0,0,1|2,0,0]=4 6630 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)F 22a_100000210047_100011223364 [0,1,0,0,0,1|2,0,0]=4 6631 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)F 34a_100000210257_100000183335 [0,1,0,0,0,1|2,0,0]=4 6632 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)F 527a_100000210047_100011223364 [0,1,0,0,0,1|2,0,0]=4 6633 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)I 11a_100000211102_100011223364 [0,1,0,0,0,1|2,0,0]=4 6634 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)I 1626a_100000211102_100011223364 [0,1,0,0,0,1|2,0,0]=4 6635 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)I 22a_100000211102_100011223364 [0,1,0,0,0,1|2,0,0]=4 6636 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)I 527a_100000211102_100011223364 [0,1,0,0,0,1|2,0,0]=4 6637 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)O 1626a_100000210217_100011223364 [0,1,0,0,0,1|2,0,0]=4 6638 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)O 22a_100000210217_100011223364 [0,1,0,0,0,1|2,0,0]=4 6639 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)O 34a_100000210257_100011236192 [0,1,0,0,0,1|2,0,0]=4 6640 B16R1.11236 CC(C)COCC(=O)Nc1cccc(c1)O 527a_100000210217_100011223364 [0,1,0,0,0,1|2,0,0]=4 6641 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)Br 62a_100000183509_100000210760 [0,1,0,0,0,1|2,0,0]=4 6642 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)Br 62a_100000210624_100000183509 [0,1,0,0,0,1|2,0,0]=4 6643 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)Cl 62a_100000210624_100000182995 [0,1,0,0,0,1|2,0,0]=4 6644 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)F 62a_100000183335_100000210760 [0,1,0,0,0,1|2,0,0]=4 6645 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)F 62a_100000210624_100000183335 [0,1,0,0,0,1|2,0,0]=4 6646 B16R1.11236 CC(C)CSCC(=O)Nc1cccc(c1)O 62a_100000210624_100011236192 [0,1,0,0,0,1|2,0,0]=4 6647 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)Cl 2230a_100138425928_100000242061 [0,1,0,0,0,1|2,0,0]=4 6648 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)Cl 34a_100138425928_100000242061 [0,1,0,0,0,1|2,0,0]=4 6649 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)F 2230a_100015185233_100000210206 [0,1,0,0,0,1|2,0,0]=4 6650 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)F 2230a_100138425928_100000242062 [0,1,0,0,0,1|2,0,0]=4 6651 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)F 34a_100015185233_100000210206 [0,1,0,0,0,1|2,0,0]=4 6652 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)F 34a_100138425928_100000242062 [0,1,0,0,0,1|2,0,0]=4 6653 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)O 2230a_100138425928_200011436826 [0,1,0,0,0,1|2,0,0]=4 6654 B16R1.11236 CC(C)NCCC(=O)Nc1cccc(c1)O 34a_100138425928_200011436826 [0,1,0,0,0,1|2,0,0]=4 6655 B16R1.11236 CC(C)OCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000211751 [0,1,0,0,0,1|2,0,0]=4 6656 B16R1.11236 CC(C)OCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000211751 [0,1,0,0,0,1|2,0,0]=4 6657 B16R1.11236 CC(C)OCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000211751 [0,1,0,0,0,1|2,0,0]=4 6658 B16R1.11236 CC(C)OCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000211751 [0,1,0,0,0,1|2,0,0]=4 6659 B16R1.11236 CC(C)OCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000211751 [0,1,0,0,0,1|2,0,0]=4 6660 B16R1.11236 CC(C)OCCC(=O)Nc1cccc(c1)Cl 34a_100000212225_100000242061 [0,1,0,0,0,1|2,0,0]=4 6661 B16R1.11236 CC(C)OCCC(=O)Nc1cccc(c1)F 34a_100000212225_100000242062 [0,1,0,0,0,1|2,0,0]=4 6662 B16R1.11236 CC(C)OCCC(=O)Nc1cccc(c1)O 34a_100000212225_200011436826 [0,1,0,0,0,1|2,0,0]=4 6663 B16R1.11236 CC(C)SCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000730970 [0,1,0,0,0,1|2,0,0]=4 6664 B16R1.11236 CC(C)SCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000730970 [0,1,0,0,0,1|2,0,0]=4 6665 B16R1.11236 CC(C)SCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000730970 [0,1,0,0,0,1|2,0,0]=4 6666 B16R1.11236 CC(C)SCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000730970 [0,1,0,0,0,1|2,0,0]=4 6667 B16R1.11236 CC(C)SCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000730970 [0,1,0,0,0,1|2,0,0]=4 6668 B16R1.11236 CC(C)SCCC(=O)Nc1cccc(c1)Cl 62a_100000210206_100000242061 [0,1,0,0,0,1|2,0,0]=4 6669 B16R1.11236 CC(C)SCCC(=O)Nc1cccc(c1)F 62a_100000210206_100000242062 [0,1,0,0,0,1|2,0,0]=4 6670 B16R1.11236 CC(C)SCCC(=O)Nc1cccc(c1)O 62a_100000210206_200011436826 [0,1,0,0,0,1|2,0,0]=4 6671 B16R1.11236 CC(O)CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000718107 [0,1,0,0,0,1|2,0,0]=4 6672 B16R1.11236 CC(O)CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000718107 [0,1,0,0,0,1|2,0,0]=4 6673 B16R1.11236 CC(O)CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_200000718107 [0,1,0,0,0,1|2,0,0]=4 6674 B16R1.11236 CC(O)CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_200000718107 [0,1,0,0,0,1|2,0,0]=4 6675 B16R1.11236 CC(O)CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_200000718107 [0,1,0,0,0,1|2,0,0]=4 6676 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000761597 [0,1,0,0,0,1|2,0,0]=4 6677 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000761597 [0,1,0,0,0,1|2,0,0]=4 6678 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000761597 [0,1,0,0,0,1|2,0,0]=4 6679 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000761597 [0,1,0,0,0,1|2,0,0]=4 6680 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000761597 [0,1,0,0,0,1|2,0,0]=4 6681 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000761597 [0,1,0,0,0,1|2,0,0]=4 6682 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000761597 [0,1,0,0,0,1|2,0,0]=4 6683 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000761597 [0,1,0,0,0,1|2,0,0]=4 6684 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000761597 [0,1,0,0,0,1|2,0,0]=4 6685 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000761597 [0,1,0,0,0,1|2,0,0]=4 6686 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000761597 [0,1,0,0,0,1|2,0,0]=4 6687 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000761597 [0,1,0,0,0,1|2,0,0]=4 6688 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000761597 [0,1,0,0,0,1|2,0,0]=4 6689 B16R1.11236 CC(O)CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000761597 [0,1,0,0,0,1|2,0,0]=4 6690 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)Br 240690a_200000755665_100000747190 [0,1,0,0,0,1|2,0,0]=4 6691 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)Br 527a_200000755665_100000747190 [0,1,0,0,0,1|2,0,0]=4 6692 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)Cl 240690a_200000755665_100000749307 [0,1,0,0,0,1|2,0,0]=4 6693 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)Cl 527a_200000755665_100000749307 [0,1,0,0,0,1|2,0,0]=4 6694 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)F 240690a_200000755665_100000211661 [0,1,0,0,0,1|2,0,0]=4 6695 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)F 527a_200000755665_100000211661 [0,1,0,0,0,1|2,0,0]=4 6696 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)I 240690a_200000755665_100000238430 [0,1,0,0,0,1|2,0,0]=4 6697 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)I 527a_200000755665_100000238430 [0,1,0,0,0,1|2,0,0]=4 6698 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)O 240690a_200000755665_100000745134 [0,1,0,0,0,1|2,0,0]=4 6699 B16R1.11236 CC(O)CCNC(=O)Cc1cccc(c1)O 527a_200000755665_100000745134 [0,1,0,0,0,1|2,0,0]=4 6700 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_200000755665 [0,1,0,0,0,1|2,0,0]=4 6701 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_200000755665 [0,1,0,0,0,1|2,0,0]=4 6702 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_200000755665 [0,1,0,0,0,1|2,0,0]=4 6703 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_200000755665 [0,1,0,0,0,1|2,0,0]=4 6704 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)F 512a_100000210047_200000755665 [0,1,0,0,0,1|2,0,0]=4 6705 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_200000755665 [0,1,0,0,0,1|2,0,0]=4 6706 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)I 512a_100000211102_200000755665 [0,1,0,0,0,1|2,0,0]=4 6707 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_200000755665 [0,1,0,0,0,1|2,0,0]=4 6708 B16R1.11236 CC(O)CCNC(=O)Nc1cccc(c1)O 512a_100000210217_200000755665 [0,1,0,0,0,1|2,0,0]=4 6709 B16R1.11236 CN(C)CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000695564 [0,1,0,0,0,1|2,0,0]=4 6710 B16R1.11236 CN(C)CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000695564 [0,1,0,0,0,1|2,0,0]=4 6711 B16R1.11236 CN(C)CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000695564 [0,1,0,0,0,1|2,0,0]=4 6712 B16R1.11236 CN(C)CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000695564 [0,1,0,0,0,1|2,0,0]=4 6713 B16R1.11236 CN(C)CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000695564 [0,1,0,0,0,1|2,0,0]=4 6714 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000740757 [0,1,0,0,0,1|2,0,0]=4 6715 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000740757 [0,1,0,0,0,1|2,0,0]=4 6716 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000740757 [0,1,0,0,0,1|2,0,0]=4 6717 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000740757 [0,1,0,0,0,1|2,0,0]=4 6718 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000740757 [0,1,0,0,0,1|2,0,0]=4 6719 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000740757 [0,1,0,0,0,1|2,0,0]=4 6720 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000740757 [0,1,0,0,0,1|2,0,0]=4 6721 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000740757 [0,1,0,0,0,1|2,0,0]=4 6722 B16R1.11236 CN(C)CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000740757 [0,1,0,0,0,1|2,0,0]=4 6723 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Br 240690a_100000210585_100000747190 [0,1,0,0,0,1|2,0,0]=4 6724 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Br 527a_100000210585_100000747190 [0,1,0,0,0,1|2,0,0]=4 6725 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Cl 240690a_100000210585_100000749307 [0,1,0,0,0,1|2,0,0]=4 6726 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)Cl 527a_100000210585_100000749307 [0,1,0,0,0,1|2,0,0]=4 6727 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)F 240690a_100000210585_100000211661 [0,1,0,0,0,1|2,0,0]=4 6728 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)F 527a_100000210585_100000211661 [0,1,0,0,0,1|2,0,0]=4 6729 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)I 240690a_100000210585_100000238430 [0,1,0,0,0,1|2,0,0]=4 6730 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)I 527a_100000210585_100000238430 [0,1,0,0,0,1|2,0,0]=4 6731 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)O 240690a_100000210585_100000745134 [0,1,0,0,0,1|2,0,0]=4 6732 B16R1.11236 CN(C)CCNC(=O)Cc1cccc(c1)O 527a_100000210585_100000745134 [0,1,0,0,0,1|2,0,0]=4 6733 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210585 [0,1,0,0,0,1|2,0,0]=4 6734 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210585 [0,1,0,0,0,1|2,0,0]=4 6735 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210585 [0,1,0,0,0,1|2,0,0]=4 6736 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)F 2230a_100102631434_100000163364 [0,1,0,0,0,1|2,0,0]=4 6737 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210585 [0,1,0,0,0,1|2,0,0]=4 6738 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)F 269982a_100102631434_100000163364 [0,1,0,0,0,1|2,0,0]=4 6739 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210585 [0,1,0,0,0,1|2,0,0]=4 6740 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210585 [0,1,0,0,0,1|2,0,0]=4 6741 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210585 [0,1,0,0,0,1|2,0,0]=4 6742 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210585 [0,1,0,0,0,1|2,0,0]=4 6743 B16R1.11236 CN(C)CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210585 [0,1,0,0,0,1|2,0,0]=4 6744 B16R1.11236 CN(C)CCOC(=O)Nc1cccc(c1)Br 269982a_100102631434_100015757870 [0,1,0,0,0,1|1,0,0]=3 6745 B16R1.11236 Cc1cc(ccn1)CC(=O)CCCC(C)C 1458a_100011216857_200020672517 [0,1,0,0,0,1|2,0,0]=4 6746 B16R1.11236 Cc1cccc(c1)CC(=O)CCCC(C)C 1458a_100011206899_100011214892 [0,1,0,0,0,1|1,0,0]=3 6747 B16R1.11236 Cc1cccc(c1)CC(=O)CCCC(C)C 1458a_100011216857_100000211840 [0,1,0,0,0,1|1,0,0]=3 6748 B16R1.11236 Cc1cccc(c1)CC(=O)CCCC(C)O 1458a_100011206899_200000718107 [0,1,0,0,0,1|2,0,0]=4 6749 B16R1.11236 Cc1cccc(c1)CC(=O)CCCN(C)C 1458a_100011206899_100000695564 [0,1,0,0,0,1|2,0,0]=4 6750 B16R1.11236 Cc1cccc(c1)CC(=O)CCOC(C)C 1458a_100011206899_100000211751 [0,1,0,0,0,1|2,0,0]=4 6751 B16R1.11236 Cc1cccc(c1)CC(=O)CCSC(C)C 1458a_100011206899_100000730970 [0,1,0,0,0,1|2,0,0]=4 6752 B16R1.11236 Cc1cccc(c1)CC(=O)COCC(C)C 1458a_100011223364_100000211840 [0,1,0,0,0,1|2,0,0]=4 6753 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 11a_100000210545_100011206899 [0,1,0,0,0,1|1,0,0]=3 6754 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 1626a_100000210545_100011206899 [0,1,0,0,0,1|1,0,0]=3 6755 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 240690a_100000210545_100011206899 [0,1,0,0,0,1|1,0,0]=3 6756 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 527a_100000210545_100011206899 [0,1,0,0,0,1|1,0,0]=3 6757 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)O 240690a_200000755665_100011206899 [0,1,0,0,0,1|2,0,0]=4 6758 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)O 527a_200000755665_100011206899 [0,1,0,0,0,1|2,0,0]=4 6759 B16R1.11236 Cc1cccc(c1)CC(=O)NCCN(C)C 240690a_100000210585_100011206899 [0,1,0,0,0,1|2,0,0]=4 6760 B16R1.11236 Cc1cccc(c1)CC(=O)NCCN(C)C 527a_100000210585_100011206899 [0,1,0,0,0,1|2,0,0]=4 6761 B16R1.11236 Cc1cccc(c1)CC(=O)NNCC(C)C 22a_100000696102_100011206899 [0,1,0,0,0,1|2,0,0]=4 6762 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 11a_100000188690_100011216857 [0,1,0,0,0,1|1,0,0]=3 6763 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 1626a_100000188690_100011216857 [0,1,0,0,0,1|1,0,0]=3 6764 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 22a_100000188690_100011216857 [0,1,0,0,0,1|1,0,0]=3 6765 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 527a_100000188690_100011216857 [0,1,0,0,0,1|1,0,0]=3 6766 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)O 1626a_100000188690_100000761597 [0,1,0,0,0,1|2,0,0]=4 6767 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)O 22a_100000188690_100000761597 [0,1,0,0,0,1|2,0,0]=4 6768 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)O 527a_100000188690_100000761597 [0,1,0,0,0,1|2,0,0]=4 6769 B16R1.11236 Cc1cccc(c1)NC(=O)CCCN(C)C 11a_100000188690_100000740757 [0,1,0,0,0,1|2,0,0]=4 6770 B16R1.11236 Cc1cccc(c1)NC(=O)CCCN(C)C 2230a_100102631434_100000184976 [0,1,0,0,0,1|2,0,0]=4 6771 B16R1.11236 Cc1cccc(c1)NC(=O)CCCN(C)C 22a_100000188690_100000740757 [0,1,0,0,0,1|2,0,0]=4 6772 B16R1.11236 Cc1cccc(c1)NC(=O)CCCN(C)C 269982a_100102631434_100000184976 [0,1,0,0,0,1|2,0,0]=4 6773 B16R1.11236 Cc1cccc(c1)NC(=O)CCNC(C)C 2230a_100138425928_100011194834 [0,1,0,0,0,1|2,0,0]=4 6774 B16R1.11236 Cc1cccc(c1)NC(=O)CCNC(C)C 2230a_200015186421_100000210206 [0,1,0,0,0,1|2,0,0]=4 6775 B16R1.11236 Cc1cccc(c1)NC(=O)CCNC(C)C 34a_100138425928_100011194834 [0,1,0,0,0,1|2,0,0]=4 6776 B16R1.11236 Cc1cccc(c1)NC(=O)CCNC(C)C 34a_200015186421_100000210206 [0,1,0,0,0,1|2,0,0]=4 6777 B16R1.11236 Cc1cccc(c1)NC(=O)CCOC(C)C 34a_100000212225_100011194834 [0,1,0,0,0,1|2,0,0]=4 6778 B16R1.11236 Cc1cccc(c1)NC(=O)CCSC(C)C 62a_100000210206_100011194834 [0,1,0,0,0,1|2,0,0]=4 6779 B16R1.11236 Cc1cccc(c1)NC(=O)CNCC(C)C 2230a_100000210953_100000182861 [0,1,0,0,0,1|2,0,0]=4 6780 B16R1.11236 Cc1cccc(c1)NC(=O)CNCC(C)C 34a_100000210953_100000182861 [0,1,0,0,0,1|2,0,0]=4 6781 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 11a_100000188690_100011223364 [0,1,0,0,0,1|2,0,0]=4 6782 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 1626a_100000188690_100011223364 [0,1,0,0,0,1|2,0,0]=4 6783 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 22a_100000188690_100011223364 [0,1,0,0,0,1|2,0,0]=4 6784 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 34a_100000210257_100000182861 [0,1,0,0,0,1|2,0,0]=4 6785 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 34a_100000749660_100000210624 [0,1,0,0,0,1|2,0,0]=4 6786 B16R1.11236 Cc1cccc(c1)NC(=O)COCC(C)C 527a_100000188690_100011223364 [0,1,0,0,0,1|2,0,0]=4 6787 B16R1.11236 Cc1cccc(c1)NC(=O)CSCC(C)C 62a_100000210624_100000182861 [0,1,0,0,0,1|2,0,0]=4 6788 B16R1.11236 Cc1cccc(c1)NC(=O)CSCC(C)C 62a_100000243722_100000210760 [0,1,0,0,0,1|2,0,0]=4 6789 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C 2430a_100000188690_100000210545 [0,1,0,0,0,1|1,0,0]=3 6790 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C 512a_100000188690_100000210545 [0,1,0,0,0,1|1,0,0]=3 6791 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)O 2430a_100000188690_200000755665 [0,1,0,0,0,1|2,0,0]=4 6792 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)O 512a_100000188690_200000755665 [0,1,0,0,0,1|2,0,0]=4 6793 B16R1.11236 Cc1cccc(c1)NC(=O)NCCN(C)C 2430a_100000188690_100000210585 [0,1,0,0,0,1|2,0,0]=4 6794 B16R1.11236 Cc1cccc(c1)NC(=O)NCCN(C)C 512a_100000188690_100000210585 [0,1,0,0,0,1|2,0,0]=4 6795 B16R1.11236 Cc1cccc(c1)NC(=O)NNCC(C)C 512a_100000188690_100000696102 [0,1,0,0,0,1|2,0,0]=4 6796 B16R1.11236 Cc1cccc(n1)CC(=O)CCCC(C)C 1458a_100011216857_100000757606 [0,1,0,0,0,1|2,0,0]=4 6797 B16R1.11236 Cc1cccc(n1)CC(=O)CCCC(C)C 1458a_100012001110_100011214892 [0,1,0,0,0,1|2,0,0]=4 6798 B16R1.11236 Cc1cccc(n1)CC(=O)NCCC(C)C 11a_100000210545_100012001110 [0,1,0,0,0,1|2,0,0]=4 6799 B16R1.11236 Cc1cccc(n1)CC(=O)NCCC(C)C 1626a_100000210545_100012001110 [0,1,0,0,0,1|2,0,0]=4 6800 B16R1.11236 Cc1cccc(n1)CC(=O)NCCC(C)C 240690a_100000210545_100012001110 [0,1,0,0,0,1|2,0,0]=4 6801 B16R1.11236 Cc1cccc(n1)CC(=O)NCCC(C)C 527a_100000210545_100012001110 [0,1,0,0,0,1|2,0,0]=4 6802 B16R1.11236 Cc1ccnc(c1)CC(=O)CCCC(C)C 1458a_100011216857_100000718516 [0,1,0,0,0,1|2,0,0]=4 6803 B16R1.11236 Cc1cncc(c1)CC(=O)CCCC(C)C 1458a_100011216857_100000716715 [0,1,0,0,0,1|2,0,0]=4 6804 B16R1.12285 CC(C)CCNS(=O)(=O)Cc1ccccc1 270084a_100000210545_100000211737 [0,1,0,0,0,1|2,0,0]=4 6805 B16R1.12285 CC(C)CCNS(=O)(=O)Cc1ccccc1 274078a_100000210545_100000211737 [0,1,0,0,0,1|2,0,0]=4 6806 B16R1.12285 CC(C)CCNS(=O)(=O)Cc1ccccc1 40a_100000210545_100000235865 [0,1,0,0,0,1|2,0,0]=4 6807 B16R1.12285 CC(C)CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210626 [0,1,0,0,0,1|1,0,1]=4 6808 B16R1.12285 CC(C)CCOC(F)(F)Oc1ccccc1 7a_100000210254_200000057402 [0,1,0,0,0,1|1,0,1]=4 6809 B16R1.59031 CC(C)(C)CCNC(=O)C[n+]1ccccc1 11a_100000738805_200000086051 [0,1,0,0,0,1|2,0,0]=4 6810 B16R1.59031 CC(C)(C)CCNC(=O)C[n+]1ccccc1 240690a_100000738805_200000086051 [0,1,0,0,0,1|2,0,0]=4 6811 B16R1.59031 CC(C)(C)CCNC(=O)C[n+]1ccccc1 527a_100000738805_200000086051 [0,1,0,0,0,1|2,0,0]=4 6812 B16R1.59031 CC(C)(C)CCNC(=O)Cc1ccccn1 11a_100000738805_100000233486 [0,1,0,0,0,1|2,0,0]=4 6813 B16R1.59031 CC(C)(C)CCNC(=O)Cc1cccnc1 11a_100000738805_100000737805 [0,1,0,0,0,1|2,0,0]=4 6814 B16R1.59031 CC(C)(C)CCNC(=O)Cc1cccnc1 240690a_100000738805_100000737805 [0,1,0,0,0,1|2,0,0]=4 6815 B16R1.59031 CC(C)(C)CCNC(=O)Cc1cccnc1 527a_100000738805_100000737805 [0,1,0,0,0,1|2,0,0]=4 6816 B16R1.59031 CC(C)(C)CCNC(=O)Cc1ccncc1 11a_100000738805_100011201483 [0,1,0,0,0,1|2,0,0]=4 6817 B16R1.59031 CC(C)(C)CCNC(=O)Cc1ccncc1 240690a_100000738805_100011201483 [0,1,0,0,0,1|2,0,0]=4 6818 B16R1.59031 CC(C)(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000738805 [0,1,0,0,0,1|1,0,0]=3 6819 B16R1.59031 CC(C)(C)CNCC(=O)Cc1ccccc1 2230a_100000743828_100000233483 [0,1,0,0,0,1|2,0,0]=4 6820 B16R1.59031 CC(C)(C)CNCC(=O)Nc1ccccc1 2230a_100000743828_100000182850 [0,1,0,0,0,1|2,0,0]=4 6821 B16R1.59031 CC(C)(C)CNCC(=O)Nc1ccccc1 270004a_100000742222_100011204126 [0,1,0,0,0,1|2,0,0]=4 6822 B16R1.59031 CC(C)(C)CNCC(=O)Oc1ccccc1 2230a_100000743828_100009813826 [0,1,0,0,0,1|2,0,0]=4 6823 B16R1.59031 CC(C)(C)COCC(=O)Nc1ccccc1 34a_100000246334_100011219605 [0,1,0,0,0,1|2,0,0]=4 6824 B16R1.59031 CC(C)(C)CSCC(=O)Cc1ccccc1 62a_100000233483_100011219605 [0,1,0,0,0,1|2,0,0]=4 6825 B16R1.59031 CC(C)(C)CSCC(=O)Cc1ccccc1 62a_100011219605_100000233483 [0,1,0,0,0,1|2,0,0]=4 6826 B16R1.59031 CC(C)(C)CSCC(=O)Nc1ccccc1 62a_100011219605_100000182850 [0,1,0,0,0,1|2,0,0]=4 6827 B16R1.59031 CC(C)(C)CSCC(=O)Nc1ccccc1 62a_100012148978_100011219605 [0,1,0,0,0,1|2,0,0]=4 6828 B16R1.59031 CC(C)(C)CSCC(=O)Oc1ccccc1 62a_100009813826_100011219605 [0,1,0,0,0,1|2,0,0]=4 6829 B16R1.59031 CC(C)(C)CSCC(=O)Oc1ccccc1 62a_100011219605_100009813826 [0,1,0,0,0,1|2,0,0]=4 6830 B16R1.59031 CC(C)(C)NCCC(=O)Nc1ccccc1 2230a_100000715429_100000242058 [0,1,0,0,0,1|2,0,0]=4 6831 B16R1.59031 CC(C)(C)NCCC(=O)Oc1ccccc1 2230a_100000715429_200000035796 [0,1,0,0,0,1|2,0,0]=4 6832 B16R1.59031 CC(C)(C)OCCC(=O)Nc1ccccc1 34a_100015890283_100000242058 [0,1,0,0,0,1|2,0,0]=4 6833 B16R1.59031 CC(C)(C)OCCC(=O)Nc1ccccc1 7a_100015890283_100000242058 [0,1,0,0,0,1|2,0,0]=4 6834 B16R1.59031 CC(C)(C)OCCC(=O)Oc1ccccc1 7a_100015890283_200000035796 [0,1,0,0,0,1|2,0,0]=4 6835 B16R1.59031 CC(C)(C)SCCC(=O)Nc1ccccc1 62a_100000211941_100000242058 [0,1,0,0,0,1|2,0,0]=4 6836 B16R1.59031 CC(C)(C)SCCC(=O)Oc1ccccc1 62a_100000211941_200000035796 [0,1,0,0,0,1|2,0,0]=4 6837 B16R1.59031 CC(C)(F)CCNC(=O)C[n+]1ccccc1 11a_100016253952_200000086051 [0,1,0,0,0,1|2,0,0]=4 6838 B16R1.59031 CC(C)(F)CCNC(=O)C[n+]1ccccc1 240690a_100016253952_200000086051 [0,1,0,0,0,1|2,0,0]=4 6839 B16R1.59031 CC(C)(F)CCNC(=O)C[n+]1ccccc1 527a_100016253952_200000086051 [0,1,0,0,0,1|2,0,0]=4 6840 B16R1.59031 CC(C)(F)CCNC(=O)Cc1ccccn1 11a_100016253952_100000233486 [0,1,0,0,0,1|2,0,0]=4 6841 B16R1.59031 CC(C)(F)CCNC(=O)Cc1cccnc1 11a_100016253952_100000737805 [0,1,0,0,0,1|2,0,0]=4 6842 B16R1.59031 CC(C)(F)CCNC(=O)Cc1cccnc1 240690a_100016253952_100000737805 [0,1,0,0,0,1|2,0,0]=4 6843 B16R1.59031 CC(C)(F)CCNC(=O)Cc1cccnc1 527a_100016253952_100000737805 [0,1,0,0,0,1|2,0,0]=4 6844 B16R1.59031 CC(C)(F)CCNC(=O)Cc1ccncc1 11a_100016253952_100011201483 [0,1,0,0,0,1|2,0,0]=4 6845 B16R1.59031 CC(C)(F)CCNC(=O)Cc1ccncc1 240690a_100016253952_100011201483 [0,1,0,0,0,1|2,0,0]=4 6846 B16R1.59031 CC(C)(F)CCNC(=O)Nc1ccccc1 2430a_100000106764_100016253952 [0,1,0,0,0,1|1,0,0]=3 6847 B16R1.59031 CC(C)(F)CNCC(=O)Cc1ccccc1 2230a_100020643315_100000233483 [0,1,0,0,0,1|2,0,0]=4 6848 B16R1.59031 CC(C)(F)CNCC(=O)Nc1ccccc1 2230a_100020643315_100000182850 [0,1,0,0,0,1|2,0,0]=4 6849 B16R1.59031 CC(C)(F)CNCC(=O)Oc1ccccc1 2230a_100020643315_100009813826 [0,1,0,0,0,1|2,0,0]=4 6850 B16R1.59031 CC(C)(F)COCC(=O)Nc1ccccc1 34a_100000246334_100011997219 [0,1,0,0,0,1|2,0,0]=4 6851 B16R1.59031 CC(C)(F)COCC(=O)Nc1ccccc1 34a_100000716592_100000182850 [0,1,0,0,0,1|2,0,0]=4 6852 B16R1.59031 CC(C)(F)COCC(=O)Oc1ccccc1 34a_100000716592_100009813826 [0,1,0,0,0,1|2,0,0]=4 6853 B16R1.59031 CC(C)(F)CSCC(=O)Cc1ccccc1 62a_100000233483_100011997219 [0,1,0,0,0,1|2,0,0]=4 6854 B16R1.59031 CC(C)(F)CSCC(=O)Cc1ccccc1 62a_100011997219_100000233483 [0,1,0,0,0,1|2,0,0]=4 6855 B16R1.59031 CC(C)(F)CSCC(=O)Nc1ccccc1 62a_100011997219_100000182850 [0,1,0,0,0,1|2,0,0]=4 6856 B16R1.59031 CC(C)(F)CSCC(=O)Nc1ccccc1 62a_100012148978_100011997219 [0,1,0,0,0,1|2,0,0]=4 6857 B16R1.59031 CC(C)(F)CSCC(=O)Oc1ccccc1 62a_100009813826_100011997219 [0,1,0,0,0,1|2,0,0]=4 6858 B16R1.59031 CC(C)(F)CSCC(=O)Oc1ccccc1 62a_100011997219_100009813826 [0,1,0,0,0,1|2,0,0]=4 6859 B16R1.59031 CC(C)(O)CCNC(=O)C[n+]1ccccc1 527a_100000707701_200000086051 [0,1,0,0,0,1|2,0,0]=4 6860 B16R1.59031 CC(C)(O)CCNC(=O)Cc1cccnc1 527a_100000707701_100000737805 [0,1,0,0,0,1|2,0,0]=4 6861 B16R1.59031 CC(C)(O)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000707701 [0,1,0,0,0,1|1,0,0]=3 6862 B16R1.59031 CC(C)(O)CNCC(=O)Cc1ccccc1 2230a_100000751335_100000233483 [0,1,0,0,0,1|2,0,0]=4 6863 B16R1.59031 CC(C)(O)CNCC(=O)Nc1ccccc1 2230a_100000751335_100000182850 [0,1,0,0,0,1|2,0,0]=4 6864 B16R1.59031 CC(C)(O)CNCC(=O)Oc1ccccc1 2230a_100000751335_100009813826 [0,1,0,0,0,1|2,0,0]=4 6865 B16R1.59031 CC(C)(O)COCC(=O)Nc1ccccc1 34a_100000246334_100000764493 [0,1,0,0,0,1|2,0,0]=4 6866 B16R1.59031 CC(C)(O)CSCC(=O)Cc1ccccc1 62a_100000233483_100000764493 [0,1,0,0,0,1|2,0,0]=4 6867 B16R1.59031 CC(C)(O)CSCC(=O)Cc1ccccc1 62a_100000764493_100000233483 [0,1,0,0,0,1|2,0,0]=4 6868 B16R1.59031 CC(C)(O)CSCC(=O)Nc1ccccc1 62a_100000764493_100000182850 [0,1,0,0,0,1|2,0,0]=4 6869 B16R1.59031 CC(C)(O)CSCC(=O)Nc1ccccc1 62a_100012148978_100000764493 [0,1,0,0,0,1|2,0,0]=4 6870 B16R1.59031 CC(C)(O)CSCC(=O)Oc1ccccc1 62a_100000764493_100009813826 [0,1,0,0,0,1|2,0,0]=4 6871 B16R1.59031 CC(C)(O)CSCC(=O)Oc1ccccc1 62a_100009813826_100000764493 [0,1,0,0,0,1|2,0,0]=4 6872 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 34a_100000748627_100000755188 [0,1,0,0,0,1|1,0,1]=4 6873 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 7a_100000748627_100000755188 [0,1,0,0,0,1|1,0,1]=4 6874 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)C 7a_100000765024_200011218536 [0,1,0,0,0,1|1,0,1]=4 6875 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)O 34a_100000748627_100000702414 [0,1,0,0,0,1|1,0,1]=4 6876 B16R1.59031 CC(Cc1ccccc1)OCCC(C)(C)O 7a_100000748627_100000702414 [0,1,0,0,0,1|1,0,1]=4 6877 B16R1.59031 C[N+](C)(C)CCCC(=O)Cc1ccccc1 1458a_100000085584_100015291786 [0,1,0,0,0,1|2,0,0]=4 6878 B16R1.59031 C[N+](C)(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100000085584 [0,1,0,0,0,1|2,0,0]=4 6879 B16R1.59031 C[N+](C)(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000085584 [0,1,0,0,0,1|2,0,0]=4 6880 B16R1.59031 C[N+](C)(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100000085584 [0,1,0,0,0,1|2,0,0]=4 6881 B16R1.59031 C[N+](C)(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100000085584 [0,1,0,0,0,1|2,0,0]=4 6882 B16R1.59031 C[N+](C)(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000106457 [0,1,0,0,0,1|2,0,0]=4 6883 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Br 270084a_100000210545_100000182491 [0,2,0,0,0,0|2,0,0]=4 6884 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Br 274078a_100000210545_100000182491 [0,2,0,0,0,0|2,0,0]=4 6885 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Br 40a_100000210545_100010306709 [0,2,0,0,0,0|2,0,0]=4 6886 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Cl 270084a_100000210545_100000209962 [0,2,0,0,0,0|2,0,0]=4 6887 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Cl 274078a_100000210545_100000209962 [0,2,0,0,0,0|2,0,0]=4 6888 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)Cl 40a_100000210545_100000077732 [0,2,0,0,0,0|2,0,0]=4 6889 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)F 270084a_100000210545_100000184267 [0,2,0,0,0,0|2,0,0]=4 6890 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)F 274078a_100000210545_100000184267 [0,2,0,0,0,0|2,0,0]=4 6891 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)F 40a_100000210545_100000081159 [0,2,0,0,0,0|2,0,0]=4 6892 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)I 270084a_100000210545_100011205396 [0,2,0,0,0,0|2,0,0]=4 6893 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)I 274078a_100000210545_100011205396 [0,2,0,0,0,0|2,0,0]=4 6894 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)N 40a_100000210545_100000054796 [0,2,0,0,0,0|2,0,0]=4 6895 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)O 270084a_100000210545_100020667864 [0,2,0,0,0,0|2,0,0]=4 6896 B16R1.1050 CC(C)CCNS(=O)(=O)c1ccc(cc1)O 274078a_100000210545_100020667864 [0,2,0,0,0,0|2,0,0]=4 6897 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210312 [0,2,0,0,0,0|1,0,1]=4 6898 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210626 [0,2,0,0,0,0|1,0,1]=4 6899 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210312 [0,2,0,0,0,0|1,0,1]=4 6900 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210626 [0,2,0,0,0,0|1,0,1]=4 6901 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210312 [0,2,0,0,0,0|1,0,1]=4 6902 B16R1.1050 CC(C)CCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210626 [0,2,0,0,0,0|1,0,1]=4 6903 B16R1.1050 Cc1ccc(cc1)C(C)(C)OCCC(C)C 34a_200011345916_100000210312 [0,2,0,0,0,0|1,0,1]=4 6904 B16R1.1050 Cc1ccc(cc1)C(C)(C)OCCC(C)C 7a_200011345916_100000210626 [0,2,0,0,0,0|1,0,1]=4 6905 B16R1.1050 Cc1ccc(cc1)S(=O)(=O)NCCC(C)C 270084a_100000210545_100000211267 [0,2,0,0,0,0|2,0,0]=4 6906 B16R1.1050 Cc1ccc(cc1)S(=O)(=O)NCCC(C)C 274078a_100000210545_100000211267 [0,2,0,0,0,0|2,0,0]=4 6907 B16R1.1050 Cc1ccc(cc1)S(=O)(=O)NCCC(C)C 40a_100000210545_100000039673 [0,2,0,0,0,0|2,0,0]=4 6908 B16R1.1050 Cc1ccc(cc1)S(=O)(=O)OCCN(C)C 2230a_100102631434_100000032129 [0,2,0,0,0,0|2,0,0]=4 6909 B16R1.1050 Cc1ccc(cc1)S(=O)(=O)OCCN(C)C 269982a_100102631434_100000032129 [0,2,0,0,0,0|2,0,0]=4 6910 B16R1.1102 CC(CO)CCNS(=O)(=O)c1ccccc1 270084a_106354213184_100000210345 [0,2,0,0,0,0|2,0,0]=4 6911 B16R1.1102 CC(CO)CCNS(=O)(=O)c1ccccc1 274078a_106354213184_100000210345 [0,2,0,0,0,0|2,0,0]=4 6912 B16R1.1102 CC(CO)CCNS(=O)(=O)c1ccccc1 40a_106354213184_100000032697 [0,2,0,0,0,0|2,0,0]=4 6913 B16R1.1102 CCC(C)CCNS(=O)(=O)c1ccccc1 270084a_100020591266_100000210345 [0,2,0,0,0,0|2,0,0]=4 6914 B16R1.1102 CCC(C)CCNS(=O)(=O)c1ccccc1 274078a_100020591266_100000210345 [0,2,0,0,0,0|2,0,0]=4 6915 B16R1.1102 CCC(C)CCNS(=O)(=O)c1ccccc1 40a_100020591266_100000032697 [0,2,0,0,0,0|2,0,0]=4 6916 B16R1.1102 CCC(C)CCOC(F)(F)c1ccccc1 7a_100011215188_100000036403 [0,2,0,0,0,0|1,0,1]=4 6917 B16R1.1102 CCN(C)CCOS(=O)(=O)c1ccccc1 269982a_100000225621_200000070464 [0,2,0,0,0,0|2,0,0]=4 6918 B16R1.1102 COC(C)CCOC(F)(F)c1ccccc1 7a_100000764861_100000036403 [0,2,0,0,0,0|1,0,1]=4 6919 B16R1.4119 CC(C)C(O)CNS(=O)(=O)c1ccccc1 270084a_100000759067_100000210345 [0,2,0,0,0,0|2,0,0]=4 6920 B16R1.4119 CC(C)C(O)CNS(=O)(=O)c1ccccc1 274078a_100000759067_100000210345 [0,2,0,0,0,0|2,0,0]=4 6921 B16R1.4119 CC(C)C(O)CNS(=O)(=O)c1ccccc1 40a_100000759067_100000032697 [0,2,0,0,0,0|2,0,0]=4 6922 B16R1.4467 CC(C)(C)CCNS(=O)(=O)c1ccccc1 270084a_100000738805_100000210345 [0,2,0,0,0,0|2,0,0]=4 6923 B16R1.4467 CC(C)(C)CCNS(=O)(=O)c1ccccc1 274078a_100000738805_100000210345 [0,2,0,0,0,0|2,0,0]=4 6924 B16R1.4467 CC(C)(C)CCNS(=O)(=O)c1ccccc1 40a_100000738805_100000032697 [0,2,0,0,0,0|2,0,0]=4 6925 B16R1.4467 CC(C)(C)CCOC(C)(C)c1ccccc1 7a_100000694644_100000755188 [0,2,0,0,0,0|1,0,1]=4 6926 B16R1.4467 CC(C)(C)CCOC(F)(F)c1ccccc1 7a_100000765024_100000036403 [0,2,0,0,0,0|1,0,1]=4 6927 B16R1.4467 CC(C)(F)CCNS(=O)(=O)c1ccccc1 270084a_100016253952_100000210345 [0,2,0,0,0,0|2,0,0]=4 6928 B16R1.4467 CC(C)(F)CCNS(=O)(=O)c1ccccc1 274078a_100016253952_100000210345 [0,2,0,0,0,0|2,0,0]=4 6929 B16R1.4467 CC(C)(F)CCNS(=O)(=O)c1ccccc1 40a_100016253952_100000032697 [0,2,0,0,0,0|2,0,0]=4 6930 B16R1.4467 CC(C)(O)CCNS(=O)(=O)c1ccccc1 270084a_100000707701_100000210345 [0,2,0,0,0,0|2,0,0]=4 6931 B16R1.4467 CC(C)(O)CCNS(=O)(=O)c1ccccc1 274078a_100000707701_100000210345 [0,2,0,0,0,0|2,0,0]=4 6932 B16R1.4467 CC(C)(O)CCNS(=O)(=O)c1ccccc1 40a_100000707701_100000032697 [0,2,0,0,0,0|2,0,0]=4 6933 B16R1.4467 CC(C)(O)CCOC(C)(C)c1ccccc1 7a_100000694644_100000702414 [0,2,0,0,0,0|1,0,1]=4 6934 B16R1.6939 CC(C)CC(C)NS(=O)(=O)c1ccccc1 270084a_100000692259_100000210345 [0,2,0,0,0,0|2,0,0]=4 6935 B16R1.6939 CC(C)CC(C)NS(=O)(=O)c1ccccc1 274078a_100000692259_100000210345 [0,2,0,0,0,0|2,0,0]=4 6936 B16R1.6939 CC(C)CC(C)NS(=O)(=O)c1ccccc1 40a_100000692259_100000032697 [0,2,0,0,0,0|2,0,0]=4 6937 B16R1.6939 CC(C)CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000731052 [0,2,0,0,0,0|1,0,1]=4 6938 B16R1.6939 CC(C)CC(C)OC(F)(F)c1ccccc1 7a_100000211805_100000036403 [0,2,0,0,0,0|1,0,1]=4 6939 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1Br 270084a_100000210545_100000184729 [0,2,0,0,0,0|2,0,0]=4 6940 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1Br 274078a_100000210545_100000184729 [0,2,0,0,0,0|2,0,0]=4 6941 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1Br 40a_100000210545_100010380725 [0,2,0,0,0,0|2,0,0]=4 6942 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1Cl 270084a_100000210545_100000184199 [0,2,0,0,0,0|2,0,0]=4 6943 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1Cl 274078a_100000210545_100000184199 [0,2,0,0,0,0|2,0,0]=4 6944 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1F 270084a_100000210545_100000184916 [0,2,0,0,0,0|2,0,0]=4 6945 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1F 274078a_100000210545_100000184916 [0,2,0,0,0,0|2,0,0]=4 6946 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1I 270084a_100000210545_100011191325 [0,2,0,0,0,0|2,0,0]=4 6947 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1I 274078a_100000210545_100011191325 [0,2,0,0,0,0|2,0,0]=4 6948 B16R1.7436 CC(C)CCNS(=O)(=O)c1ccccc1N 40a_100000210545_100000703237 [0,2,0,0,0,0|2,0,0]=4 6949 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210312 [0,2,0,0,0,0|1,0,1]=4 6950 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210626 [0,2,0,0,0,0|1,0,1]=4 6951 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210312 [0,2,0,0,0,0|1,0,1]=4 6952 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210626 [0,2,0,0,0,0|1,0,1]=4 6953 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1F 34a_100011345963_100000210312 [0,2,0,0,0,0|1,0,1]=4 6954 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1F 7a_100011345963_100000210626 [0,2,0,0,0,0|1,0,1]=4 6955 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1I 34a_100010296449_100000210312 [0,2,0,0,0,0|1,0,1]=4 6956 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1I 7a_100010296449_100000210626 [0,2,0,0,0,0|1,0,1]=4 6957 B16R1.7436 CC(C)CCOC(C)(C)c1ccccc1N 7a_100000081495_100000210626 [0,2,0,0,0,0|1,0,1]=4 6958 B16R1.7436 CC(C)CCOC(F)(F)c1ccccc1F 34a_100000210254_100000070671 [0,2,0,0,0,0|1,0,1]=4 6959 B16R1.7436 CC(C)CCOC(F)(F)c1ccccc1F 7a_100000210254_100000070671 [0,2,0,0,0,0|1,0,1]=4 6960 B16R1.7436 Cc1ccccc1S(=O)(=O)NCCC(C)C 270084a_100000210545_100000750907 [0,2,0,0,0,0|2,0,0]=4 6961 B16R1.7436 Cc1ccccc1S(=O)(=O)NCCC(C)C 274078a_100000210545_100000750907 [0,2,0,0,0,0|2,0,0]=4 6962 B16R1.7436 Cc1ccccc1S(=O)(=O)NCCC(C)C 40a_100000210545_100010269479 [0,2,0,0,0,0|2,0,0]=4 6963 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)Br 270084a_100000210545_100000184224 [0,2,0,0,0,0|2,0,0]=4 6964 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)Br 274078a_100000210545_100000184224 [0,2,0,0,0,0|2,0,0]=4 6965 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)Br 40a_100000210545_100010340488 [0,2,0,0,0,0|2,0,0]=4 6966 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)Cl 270084a_100000210545_100000182923 [0,2,0,0,0,0|2,0,0]=4 6967 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)Cl 274078a_100000210545_100000182923 [0,2,0,0,0,0|2,0,0]=4 6968 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)F 270084a_100000210545_100000184201 [0,2,0,0,0,0|2,0,0]=4 6969 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)F 274078a_100000210545_100000184201 [0,2,0,0,0,0|2,0,0]=4 6970 B16R1.11208 CC(C)CCNS(=O)(=O)c1cccc(c1)N 40a_100000210545_100000034547 [0,2,0,0,0,0|2,0,0]=4 6971 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210312 [0,2,0,0,0,0|1,0,1]=4 6972 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210626 [0,2,0,0,0,0|1,0,1]=4 6973 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210312 [0,2,0,0,0,0|1,0,1]=4 6974 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210626 [0,2,0,0,0,0|1,0,1]=4 6975 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210312 [0,2,0,0,0,0|1,0,1]=4 6976 B16R1.11208 CC(C)CCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210626 [0,2,0,0,0,0|1,0,1]=4 6977 B16R1.11208 Cc1cccc(c1)S(=O)(=O)NCCC(C)C 270084a_100000210545_100000182797 [0,2,0,0,0,0|2,0,0]=4 6978 B16R1.11208 Cc1cccc(c1)S(=O)(=O)NCCC(C)C 274078a_100000210545_100000182797 [0,2,0,0,0,0|2,0,0]=4 6979 B16R1.11208 Cc1cccc(c1)S(=O)(=O)NCCC(C)C 40a_100000210545_100010983817 [0,2,0,0,0,0|2,0,0]=4 6980 B16R1.18210 CC(C)CCN(C)S(=O)(=O)c1ccccc1 270084a_100000742789_100000210345 [0,2,0,0,0,0|2,0,0]=4 6981 B16R1.18210 CC(C)CCN(C)S(=O)(=O)c1ccccc1 274078a_100000742789_100000210345 [0,2,0,0,0,0|2,0,0]=4 6982 B16R1.18210 CC(C)CCN(C)S(=O)(=O)c1ccccc1 40a_100000742789_100000032697 [0,2,0,0,0,0|2,0,0]=4 6983 B16R1.94555 C#CC(C)(OCCC(C)C)c1ccccc1 34a_100000198054_100000210312 [0,2,0,0,0,0|1,0,1]=4 6984 B16R1.94555 C#CC(C)(OCCC(C)C)c1ccccc1 7a_100000198054_100000210626 [0,2,0,0,0,0|1,0,1]=4 6985 B16R1.94555 CCC(C)(OCCC(C)C)c1ccccc1 7a_100000748282_100000210626 [0,2,0,0,0,0|1,0,1]=4 6986 B16R1.1039 CC(C)C(=O)CCC(=O)c1ccc(cc1)F 1458a_100000210198_100000211231 [0,2,0,0,0,0|1,0,1]=4 6987 B16R1.1039 CC(C)C(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_100000210206 [0,2,0,0,0,0|1,0,1]=4 6988 B16R1.1039 CC(C)C(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_100000210206 [0,2,0,0,0,0|1,0,1]=4 6989 B16R1.1039 CC(C)C(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_100000210206 [0,2,0,0,0,0|1,0,1]=4 6990 B16R1.1039 CC(C)C(C)OCC(=O)c1ccc(cc1)Br 7a_100000748068_100000188085 [0,2,0,0,0,0|2,0,0]=4 6991 B16R1.1039 CC(C)C(C)OCC(=O)c1ccc(cc1)Cl 7a_100000748068_100000211071 [0,2,0,0,0,0|2,0,0]=4 6992 B16R1.1039 CC(C)C(C)OCC(=O)c1ccc(cc1)F 7a_100000748068_100000211279 [0,2,0,0,0,0|2,0,0]=4 6993 B16R1.1039 CC(C)C(C)OCC(=O)c1ccc(cc1)I 7a_100000748068_100011216261 [0,2,0,0,0,0|2,0,0]=4 6994 B16R1.1039 CC(C)C(C)OCC(=O)c1ccc(cc1)O 7a_100000748068_100000018856 [0,2,0,0,0,0|2,0,0]=4 6995 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Br 11a_100000759067_100000185839 [0,2,0,0,0,0|1,0,0]=3 6996 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Br 240690a_100000759067_100000185839 [0,2,0,0,0,0|1,0,0]=3 6997 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Br 527a_100000759067_100000185839 [0,2,0,0,0,0|1,0,0]=3 6998 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Cl 11a_100000759067_100000210187 [0,2,0,0,0,0|1,0,0]=3 6999 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Cl 240690a_100000759067_100000210187 [0,2,0,0,0,0|1,0,0]=3 7000 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)Cl 527a_100000759067_100000210187 [0,2,0,0,0,0|1,0,0]=3 7001 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)F 11a_100000759067_100000187176 [0,2,0,0,0,0|1,0,0]=3 7002 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)F 240690a_100000759067_100000187176 [0,2,0,0,0,0|1,0,0]=3 7003 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)F 527a_100000759067_100000187176 [0,2,0,0,0,0|1,0,0]=3 7004 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)I 11a_100000759067_100000187904 [0,2,0,0,0,0|1,0,0]=3 7005 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)I 240690a_100000759067_100000187904 [0,2,0,0,0,0|1,0,0]=3 7006 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)I 527a_100000759067_100000187904 [0,2,0,0,0,0|1,0,0]=3 7007 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)O 240690a_100000759067_100000212099 [0,2,0,0,0,0|1,0,0]=3 7008 B16R1.1039 CC(C)C(O)CNC(=O)c1ccc(cc1)O 527a_100000759067_100000212099 [0,2,0,0,0,0|1,0,0]=3 7009 B16R1.1039 CC(C)N(C)CCC(=O)c1ccc(cc1)Br 269982a_200000211004_100011215963 [0,2,0,0,0,0|2,0,0]=4 7010 B16R1.1039 CC(C)N(C)CCC(=O)c1ccc(cc1)Cl 269982a_200000211004_100011216492 [0,2,0,0,0,0|2,0,0]=4 7011 B16R1.1039 CC(C)N(C)CCC(=O)c1ccc(cc1)F 269982a_200000211004_100000211231 [0,2,0,0,0,0|2,0,0]=4 7012 B16R1.1039 CC(C)N(C)CCC(=O)c1ccc(cc1)O 269982a_200000211004_100009879949 [0,2,0,0,0,0|2,0,0]=4 7013 B16R1.1039 CC(COC(=O)c1ccc(cc1)Br)N(C)C 270004a_100102631434_200027936475 [0,2,0,0,0,0|1,0,0]=3 7014 B16R1.1039 CC(OC[C@H](N)C(C)C)c1ccc(cc1)Br 34a_100011830312_100000755118 [0,2,0,0,0,0|1,0,1]=4 7015 B16R1.1039 CC(OC[C@H](N)C(C)C)c1ccc(cc1)F 34a_100011830312_100000743420 [0,2,0,0,0,0|1,0,1]=4 7016 B16R1.1039 Cc1ccc(cc1)C(=O)CCC(=O)C(C)C 1458a_100000210198_100000701375 [0,2,0,0,0,0|1,0,1]=4 7017 B16R1.1039 Cc1ccc(cc1)C(=O)CCN(C)C(C)C 269982a_200000211004_100000701375 [0,2,0,0,0,0|2,0,0]=4 7018 B16R1.1039 Cc1ccc(cc1)C(=O)CNC(C)C(C)C 2230a_100000211541_100000211441 [0,2,0,0,0,0|2,0,0]=4 7019 B16R1.1039 Cc1ccc(cc1)C(=O)COC(C)C(C)C 7a_100000748068_100000211441 [0,2,0,0,0,0|2,0,0]=4 7020 B16R1.1039 Cc1ccc(cc1)C(=O)NCC(=O)C(C)C 1458a_100000183637_100000210206 [0,2,0,0,0,0|1,0,1]=4 7021 B16R1.1039 Cc1ccc(cc1)C(=O)NCC(O)C(C)C 11a_100000759067_100000188618 [0,2,0,0,0,0|1,0,0]=3 7022 B16R1.1039 Cc1ccc(cc1)C(=O)NCC(O)C(C)C 240690a_100000759067_100000188618 [0,2,0,0,0,0|1,0,0]=3 7023 B16R1.1039 Cc1ccc(cc1)C(=O)NCC(O)C(C)C 527a_100000759067_100000188618 [0,2,0,0,0,0|1,0,0]=3 7024 B16R1.1039 Cc1ccc(cc1)C(C)OC[C@H](N)C(C)C 34a_100011830312_100011261388 [0,2,0,0,0,0|1,0,1]=4 7025 B16R1.1145 C/C=C(\C)/C(=O)COC(=O)c1ccccc1 1458a_100020587367_100000073877 [0,2,0,0,0,0|0,0,2]=4 7026 B16R1.1145 C=CC(C)C(=O)COC(=O)c1ccccc1 1458a_100011216780_100000073877 [0,2,0,0,0,0|0,0,2]=4 7027 B16R1.1145 CC(C#N)C(=O)COC(=O)c1ccccc1 1458a_100000753662_100000073877 [0,2,0,0,0,0|0,0,2]=4 7028 B16R1.1145 CC(CO)N(C)CCC(=O)c1ccccc1 2230a_100000693034_100000750707 [0,2,0,0,0,0|2,0,0]=4 7029 B16R1.1145 CC(CO)N(C)CCC(=O)c1ccccc1 269982a_100000693034_100000750707 [0,2,0,0,0,0|2,0,0]=4 7030 B16R1.1145 CC(CO)N(C)COC(=O)c1ccccc1 269982a_100000693034_100000073877 [0,2,0,0,0,0|1,0,0]=3 7031 B16R1.1145 CCC(C)C(=O)CCC(=O)c1ccccc1 1458a_100011192722_100000750707 [0,2,0,0,0,0|1,0,1]=4 7032 B16R1.1145 CCC(C)C(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000758301 [0,2,0,0,0,0|1,0,1]=4 7033 B16R1.1145 CCC(C)C(=O)COC(=O)c1ccccc1 1458a_100011192722_100000073877 [0,2,0,0,0,0|0,0,1]=3 7034 B16R1.1145 CCC(C)C(C)OCC(=O)c1ccccc1 7a_100011215189_100000211460 [0,2,0,0,0,0|2,0,0]=4 7035 B16R1.1145 CCC(C)N(C)CCC(=O)c1ccccc1 2230a_100000741768_100000750707 [0,2,0,0,0,0|2,0,0]=4 7036 B16R1.1145 CCC(C)N(C)CCC(=O)c1ccccc1 269982a_100000741768_100000750707 [0,2,0,0,0,0|2,0,0]=4 7037 B16R1.1145 CCC(C)N(C)COC(=O)c1ccccc1 269982a_100000741768_100000073877 [0,2,0,0,0,0|1,0,0]=3 7038 B16R1.1145 CCC(O)C(=O)COC(=O)c1ccccc1 1458a_100011196387_100000073877 [0,2,0,0,0,0|1,0,1]=4 7039 B16R1.1145 COC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000743197_100000750707 [0,2,0,0,0,0|1,0,1]=4 7040 B16R1.1145 COC(C)C(=O)COC(=O)c1ccccc1 1458a_100000743197_100000073877 [0,2,0,0,0,0|0,0,1]=3 7041 B16R1.1145 CSC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000149566_100000750707 [0,2,0,0,0,0|1,0,1]=4 7042 B16R1.1145 CSC(C)C(=O)COC(=O)c1ccccc1 1458a_100000149566_100000073877 [0,2,0,0,0,0|0,0,1]=3 7043 B16R1.1145 O=C(OCC(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000073877 [0,2,0,0,0,0|1,0,1]=4 7044 B16R1.2998 C#CC(OCC(=O)c1ccccc1)C(C)C 7a_100011217124_100000211460 [0,2,0,0,0,0|2,0,0]=4 7045 B16R1.2998 C=CC(OCC(=O)c1ccccc1)C(C)C 7a_100000732651_100000211460 [0,2,0,0,0,0|2,0,0]=4 7046 B16R1.2998 CC(C)C(C#N)OCC(=O)c1ccccc1 7a_100000748901_100000211460 [0,2,0,0,0,0|2,0,0]=4 7047 B16R1.2998 CC(C)C(CO)CNC(=O)c1ccccc1 240690a_100000692819_100000185807 [0,2,0,0,0,0|1,0,0]=3 7048 B16R1.2998 CC(C)C(CO)CNC(=O)c1ccccc1 527a_100000692819_100000185807 [0,2,0,0,0,0|1,0,0]=3 7049 B16R1.2998 CC(OCC(CN)C(C)C)c1ccccc1 34a_100000692819_100000211855 [0,2,0,0,0,0|1,0,1]=4 7050 B16R1.2998 CCC(CNC(=O)c1ccccc1)N(C)C 11a_100000738386_100000185807 [0,2,0,0,0,0|2,0,0]=4 7051 B16R1.2998 CCC(CNC(=O)c1ccccc1)N(C)C 1626a_100000738386_100000185807 [0,2,0,0,0,0|2,0,0]=4 7052 B16R1.2998 CCC(CNC(=O)c1ccccc1)N(C)C 240690a_100000738386_100000185807 [0,2,0,0,0,0|2,0,0]=4 7053 B16R1.2998 CCC(COC(C)c1ccccc1)C(C)C 34a_100011995916_100000211855 [0,2,0,0,0,0|1,0,1]=4 7054 B16R1.2998 CCC(COC(C)c1ccccc1)C(C)C 7a_100011995916_100000230085 [0,2,0,0,0,0|1,0,1]=4 7055 B16R1.2998 CCC(OCC(=O)c1ccccc1)C(C)C 7a_100011218073_100000211460 [0,2,0,0,0,0|2,0,0]=4 7056 B16R1.2998 CCN(CCC(=O)c1ccccc1)C(C)C 2230a_100000223864_100000750707 [0,2,0,0,0,0|2,0,0]=4 7057 B16R1.2998 CCN(CCC(=O)c1ccccc1)C(C)C 269982a_100000223864_100000750707 [0,2,0,0,0,0|2,0,0]=4 7058 B16R1.2998 CCN(COC(=O)c1ccccc1)C(C)C 269982a_100000223864_100000073877 [0,2,0,0,0,0|1,0,0]=3 7059 B16R1.4125 CC(C)C(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_100000210206 [0,2,0,0,0,0|1,0,1]=4 7060 B16R1.4125 CC(C)C(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_100000210206 [0,2,0,0,0,0|1,0,1]=4 7061 B16R1.4125 CC(C)C(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000210206 [0,2,0,0,0,0|0,0,1]=3 7062 B16R1.4125 CC(C)C(C)C(=O)CC(=O)c1ccccc1 1458a_100000755409_100000211460 [0,2,0,0,0,0|1,0,1]=4 7063 B16R1.4125 CC(C)C(C)N(C)CC(=O)c1ccccc1 269982a_100000228512_100000211460 [0,2,0,0,0,0|2,0,0]=4 7064 B16R1.4125 CC(C)[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000691806_100000211460 [0,2,0,0,0,0|1,0,1]=4 7065 B16R1.4125 C[C@@H](OC(=O)c1ccccc1)C(=O)N(C)C 11a_100102631434_200035542198 [0,2,0,0,0,0|1,0,1]=4 7066 B16R1.4125 C[C@@H](OC(=O)c1ccccc1)C(=O)N(C)C 1626a_100102631434_200035542198 [0,2,0,0,0,0|1,0,1]=4 7067 B16R1.4125 C[C@@H](OC(=O)c1ccccc1)C(=O)N(C)C 240690a_100102631434_200035542198 [0,2,0,0,0,0|1,0,1]=4 7068 B16R1.4125 C[C@@H](OC(=O)c1ccccc1)C(=O)N(C)C 527a_100102631434_200035542198 [0,2,0,0,0,0|1,0,1]=4 7069 B16R1.4127 CC(C)C(=O)CN(C)C(=O)c1ccccc1 1458a_100000194983_100000210206 [0,2,0,0,0,0|1,0,1]=4 7070 B16R1.4127 CC(NC(C)C(C)C)C(=O)c1ccccc1 2230a_100000211541_100000239700 [0,2,0,0,0,0|2,0,0]=4 7071 B16R1.4127 CC(OC(C)C(C)C)C(=O)c1ccccc1 7a_100000748068_100000239700 [0,2,0,0,0,0|2,0,0]=4 7072 B16R1.10819 CC(C)C(=O)CCC(=O)c1ccccc1F 1458a_100000210198_100000086012 [0,2,0,0,0,0|1,0,1]=4 7073 B16R1.10819 CC(C)C(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_100000210206 [0,2,0,0,0,0|1,0,1]=4 7074 B16R1.10819 CC(C)C(=O)CNC(=O)c1ccccc1F 1458a_100000182453_100000210206 [0,2,0,0,0,0|1,0,1]=4 7075 B16R1.10819 CC(C)C(=O)CNC(=O)c1ccccc1I 1458a_100000194700_100000210206 [0,2,0,0,0,0|1,0,1]=4 7076 B16R1.10819 CC(C)C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_100000210206 [0,2,0,0,0,0|1,0,1]=4 7077 B16R1.10819 CC(C)C(C)OCC(=O)c1ccccc1F 7a_100000748068_100000204681 [0,2,0,0,0,0|2,0,0]=4 7078 B16R1.10819 CC(C)C(C)OCC(=O)c1ccccc1O 7a_100000748068_100000188908 [0,2,0,0,0,0|2,0,0]=4 7079 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Br 11a_100000759067_100000188424 [0,2,0,0,0,0|1,0,0]=3 7080 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Br 240690a_100000759067_100000188424 [0,2,0,0,0,0|1,0,0]=3 7081 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Br 527a_100000759067_100000188424 [0,2,0,0,0,0|1,0,0]=3 7082 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Cl 11a_100000759067_100000185844 [0,2,0,0,0,0|1,0,0]=3 7083 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Cl 240690a_100000759067_100000185844 [0,2,0,0,0,0|1,0,0]=3 7084 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1Cl 527a_100000759067_100000185844 [0,2,0,0,0,0|1,0,0]=3 7085 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1F 11a_100000759067_100000188656 [0,2,0,0,0,0|1,0,0]=3 7086 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1F 240690a_100000759067_100000188656 [0,2,0,0,0,0|1,0,0]=3 7087 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1F 527a_100000759067_100000188656 [0,2,0,0,0,0|1,0,0]=3 7088 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1I 11a_100000759067_100000187884 [0,2,0,0,0,0|1,0,0]=3 7089 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1I 240690a_100000759067_100000187884 [0,2,0,0,0,0|1,0,0]=3 7090 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1I 527a_100000759067_100000187884 [0,2,0,0,0,0|1,0,0]=3 7091 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1O 240690a_100000759067_100015234032 [0,2,0,0,0,0|1,0,0]=3 7092 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1[O-] 240690a_100000759067_100009911694 [0,2,0,0,0,0|1,0,0]=3 7093 B16R1.10819 CC(C)C(O)CNC(=O)c1ccccc1[O-] 527a_100000759067_100009911694 [0,2,0,0,0,0|1,0,0]=3 7094 B16R1.10819 CC(C)N(C)CCC(=O)c1ccccc1F 269982a_200000211004_100000086012 [0,2,0,0,0,0|2,0,0]=4 7095 B16R1.10819 CC(C)N(C)CCC(=O)c1ccccc1O 269982a_200000211004_100009873196 [0,2,0,0,0,0|2,0,0]=4 7096 B16R1.10819 CC(COC(=O)c1ccccc1Br)N(C)C 270004a_100102631434_201991511838 [0,2,0,0,0,0|1,0,0]=3 7097 B16R1.10819 CC(OC[C@H](N)C(C)C)c1ccccc1F 34a_100011830312_200000741388 [0,2,0,0,0,0|1,0,1]=4 7098 B16R1.10819 Cc1ccccc1C(=O)CNC(C)C(C)C 2230a_100000211541_100000741374 [0,2,0,0,0,0|2,0,0]=4 7099 B16R1.10819 Cc1ccccc1C(=O)COC(C)C(C)C 7a_100000748068_100000741374 [0,2,0,0,0,0|2,0,0]=4 7100 B16R1.10819 Cc1ccccc1C(=O)NCC(=O)C(C)C 1458a_100000184812_100000210206 [0,2,0,0,0,0|1,0,1]=4 7101 B16R1.10819 Cc1ccccc1C(=O)NCC(O)C(C)C 11a_100000759067_100000212026 [0,2,0,0,0,0|1,0,0]=3 7102 B16R1.10819 Cc1ccccc1C(=O)NCC(O)C(C)C 240690a_100000759067_100000212026 [0,2,0,0,0,0|1,0,0]=3 7103 B16R1.10819 Cc1ccccc1C(=O)NCC(O)C(C)C 527a_100000759067_100000212026 [0,2,0,0,0,0|1,0,0]=3 7104 B16R1.11196 CC(C)C(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_100000210206 [0,2,0,0,0,0|1,0,1]=4 7105 B16R1.11196 CC(C)C(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_100000210206 [0,2,0,0,0,0|1,0,1]=4 7106 B16R1.11196 CC(C)C(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_100000210206 [0,2,0,0,0,0|1,0,1]=4 7107 B16R1.11196 CC(C)C(C)NCC(=O)c1cccc(c1)Br 2230a_100000211541_100000212080 [0,2,0,0,0,0|2,0,0]=4 7108 B16R1.11196 CC(C)C(C)NCC(=O)c1cccc(c1)Cl 2230a_100000211541_100000211444 [0,2,0,0,0,0|2,0,0]=4 7109 B16R1.11196 CC(C)C(C)NCC(=O)c1cccc(c1)F 2230a_100000211541_100000215616 [0,2,0,0,0,0|2,0,0]=4 7110 B16R1.11196 CC(C)C(C)OCC(=O)c1cccc(c1)Br 7a_100000748068_100000212080 [0,2,0,0,0,0|2,0,0]=4 7111 B16R1.11196 CC(C)C(C)OCC(=O)c1cccc(c1)Cl 7a_100000748068_100000211444 [0,2,0,0,0,0|2,0,0]=4 7112 B16R1.11196 CC(C)C(C)OCC(=O)c1cccc(c1)O 7a_100000748068_100009813753 [0,2,0,0,0,0|2,0,0]=4 7113 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Br 11a_100000759067_100000210664 [0,2,0,0,0,0|1,0,0]=3 7114 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Br 240690a_100000759067_100000210664 [0,2,0,0,0,0|1,0,0]=3 7115 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Br 527a_100000759067_100000210664 [0,2,0,0,0,0|1,0,0]=3 7116 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Cl 11a_100000759067_100000210390 [0,2,0,0,0,0|1,0,0]=3 7117 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Cl 240690a_100000759067_100000210390 [0,2,0,0,0,0|1,0,0]=3 7118 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)Cl 527a_100000759067_100000210390 [0,2,0,0,0,0|1,0,0]=3 7119 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)F 11a_100000759067_100000210950 [0,2,0,0,0,0|1,0,0]=3 7120 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)F 240690a_100000759067_100000210950 [0,2,0,0,0,0|1,0,0]=3 7121 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)F 527a_100000759067_100000210950 [0,2,0,0,0,0|1,0,0]=3 7122 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)I 11a_100000759067_100000184098 [0,2,0,0,0,0|1,0,0]=3 7123 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)I 240690a_100000759067_100000184098 [0,2,0,0,0,0|1,0,0]=3 7124 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)I 527a_100000759067_100000184098 [0,2,0,0,0,0|1,0,0]=3 7125 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)O 240690a_100000759067_100000183914 [0,2,0,0,0,0|1,0,0]=3 7126 B16R1.11196 CC(C)C(O)CNC(=O)c1cccc(c1)O 527a_100000759067_100000183914 [0,2,0,0,0,0|1,0,0]=3 7127 B16R1.11196 Cc1cccc(c1)C(=O)CNC(C)C(C)C 2230a_100000211541_100000739480 [0,2,0,0,0,0|2,0,0]=4 7128 B16R1.11196 Cc1cccc(c1)C(=O)COC(C)C(C)C 7a_100000748068_100000739480 [0,2,0,0,0,0|2,0,0]=4 7129 B16R1.11196 Cc1cccc(c1)C(=O)NCC(=O)C(C)C 1458a_100000182573_100000210206 [0,2,0,0,0,0|1,0,1]=4 7130 B16R1.11196 Cc1cccc(c1)C(=O)NCC(O)C(C)C 11a_100000759067_100000189346 [0,2,0,0,0,0|1,0,0]=3 7131 B16R1.11196 Cc1cccc(c1)C(=O)NCC(O)C(C)C 240690a_100000759067_100000189346 [0,2,0,0,0,0|1,0,0]=3 7132 B16R1.11196 Cc1cccc(c1)C(=O)NCC(O)C(C)C 527a_100000759067_100000189346 [0,2,0,0,0,0|1,0,0]=3 7133 B16R1.12439 CC(C)C(C)(C)OCC(=O)c1ccccc1 7a_100011215261_100000211460 [0,2,0,0,0,0|2,0,0]=4 7134 B16R1.12439 CN(C)C(C)(C)CNC(=O)c1ccccc1 1626a_100153394228_100000185807 [0,2,0,0,0,0|2,0,0]=4 7135 B16R1.12439 CN(C)C(C)(C)CNC(=O)c1ccccc1 240690a_100153394228_100000185807 [0,2,0,0,0,0|2,0,0]=4 7136 B16R1.12439 CN(C)C(C)(C)CNC(=O)c1ccccc1 527a_100153394228_100000185807 [0,2,0,0,0,0|2,0,0]=4 7137 B16R1.12544 CC(C)(C)C(=O)CCC(=O)c1ccccc1 1458a_106744555173_100000750707 [0,2,0,0,0,0|1,0,1]=4 7138 B16R1.12544 CC(C)(C)C(=O)COC(=O)c1ccccc1 1458a_106744555173_100000073877 [0,2,0,0,0,0|0,0,1]=3 7139 B16R1.12544 CC(C)(F)C(=O)CCC(=O)c1ccccc1 1458a_100000765255_100000750707 [0,2,0,0,0,0|1,0,1]=4 7140 B16R1.12544 CC(C)(F)C(=O)COC(=O)c1ccccc1 1458a_100000765255_100000073877 [0,2,0,0,0,0|0,0,1]=3 7141 B16R1.12544 CC(C)(O)C(=O)CCC(=O)c1ccccc1 1458a_100000242741_100000750707 [0,2,0,0,0,0|1,0,1]=4 7142 B16R1.12544 CC(C)(O)C(=O)COC(=O)c1ccccc1 1458a_100000242741_100000073877 [0,2,0,0,0,0|0,0,1]=3 7143 B16R1.12544 CC(C)(O)[C@H](F)CNC(=O)c1ccccc1 1626a_100015379105_100000185807 [0,2,0,0,0,0|1,0,0]=3 7144 B16R1.12544 CC(C)(O)[C@H](F)CNC(=O)c1ccccc1 527a_100015379105_100000185807 [0,2,0,0,0,0|1,0,0]=3 7145 B16R1.12544 CN(CCC(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000750707 [0,2,0,0,0,0|2,0,0]=4 7146 B16R1.12544 CN(COC(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000073877 [0,2,0,0,0,0|1,0,0]=3 7147 B16R1.214 C#Cc1ccc(cc1)C(=O)CCCC(C)C 1458a_100011217615_100011214892 [0,2,0,0,0,0|1,0,0]=3 7148 B16R1.214 C#Cc1ccc(cc1)C(=O)CCCC(C)O 1458a_100011217615_200000718107 [0,2,0,0,0,0|2,0,0]=4 7149 B16R1.214 C#Cc1ccc(cc1)C(=O)CCCN(C)C 1458a_100011217615_100000695564 [0,2,0,0,0,0|2,0,0]=4 7150 B16R1.214 C#Cc1ccc(cc1)C(=O)CCOC(C)C 1458a_100011217615_100000211751 [0,2,0,0,0,0|2,0,0]=4 7151 B16R1.214 C#Cc1ccc(cc1)C(=O)CCSC(C)C 1458a_100011217615_100000730970 [0,2,0,0,0,0|2,0,0]=4 7152 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100011217615 [0,2,0,0,0,0|1,0,0]=3 7153 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100011217615 [0,2,0,0,0,0|1,0,0]=3 7154 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100011217615 [0,2,0,0,0,0|1,0,0]=3 7155 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100011217615 [0,2,0,0,0,0|1,0,0]=3 7156 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100011217615 [0,2,0,0,0,0|2,0,0]=4 7157 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100011217615 [0,2,0,0,0,0|2,0,0]=4 7158 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100011217615 [0,2,0,0,0,0|2,0,0]=4 7159 B16R1.214 C#Cc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100011217615 [0,2,0,0,0,0|2,0,0]=4 7160 B16R1.214 C#Cc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100011217615 [0,2,0,0,0,0|2,0,0]=4 7161 B16R1.214 C=Cc1ccc(cc1)C(=O)CCCC(C)C 1458a_100000687532_100011214892 [0,2,0,0,0,0|1,0,0]=3 7162 B16R1.214 C=Cc1ccc(cc1)C(=O)CCCC(C)O 1458a_100000687532_200000718107 [0,2,0,0,0,0|2,0,0]=4 7163 B16R1.214 C=Cc1ccc(cc1)C(=O)CCCN(C)C 1458a_100000687532_100000695564 [0,2,0,0,0,0|2,0,0]=4 7164 B16R1.214 C=Cc1ccc(cc1)C(=O)CCOC(C)C 1458a_100000687532_100000211751 [0,2,0,0,0,0|2,0,0]=4 7165 B16R1.214 C=Cc1ccc(cc1)C(=O)CCSC(C)C 1458a_100000687532_100000730970 [0,2,0,0,0,0|2,0,0]=4 7166 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100000687532 [0,2,0,0,0,0|1,0,0]=3 7167 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100000687532 [0,2,0,0,0,0|1,0,0]=3 7168 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100000687532 [0,2,0,0,0,0|1,0,0]=3 7169 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100000687532 [0,2,0,0,0,0|1,0,0]=3 7170 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100000687532 [0,2,0,0,0,0|2,0,0]=4 7171 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100000687532 [0,2,0,0,0,0|2,0,0]=4 7172 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100000687532 [0,2,0,0,0,0|2,0,0]=4 7173 B16R1.214 C=Cc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100000687532 [0,2,0,0,0,0|2,0,0]=4 7174 B16R1.214 C=Cc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100000687532 [0,2,0,0,0,0|2,0,0]=4 7175 B16R1.214 CC(C)CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100011214892 [0,2,0,0,0,0|1,0,0]=3 7176 B16R1.214 CC(C)CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214892 [0,2,0,0,0,0|1,0,0]=3 7177 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)C#N 11a_100000210545_100000210717 [0,2,0,0,0,0|1,0,0]=3 7178 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)C#N 1626a_100000210545_100000210717 [0,2,0,0,0,0|1,0,0]=3 7179 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)C#N 240690a_100000210545_100000210717 [0,2,0,0,0,0|1,0,0]=3 7180 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)C#N 527a_100000210545_100000210717 [0,2,0,0,0,0|1,0,0]=3 7181 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)CO 1626a_100000210545_100000183892 [0,2,0,0,0,0|1,0,0]=3 7182 B16R1.214 CC(C)CCNC(=O)c1ccc(cc1)CO 240690a_100000210545_100000183892 [0,2,0,0,0,0|1,0,0]=3 7183 B16R1.214 CC(C)CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000031027_200025704644 [0,2,0,0,0,0|0,0,0]=2 7184 B16R1.214 CC(C)CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000031027_200025704644 [0,2,0,0,0,0|0,0,0]=2 7185 B16R1.214 CC(C)CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210312 [0,2,0,0,0,0|1,0,1]=4 7186 B16R1.214 CC(C)CCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210312 [0,2,0,0,0,0|1,0,1]=4 7187 B16R1.214 CC(C)CCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210626 [0,2,0,0,0,0|1,0,1]=4 7188 B16R1.214 CC(C)CNCC(=O)c1ccc(cc1)C#N 2230a_100000210953_100000212069 [0,2,0,0,0,0|2,0,0]=4 7189 B16R1.214 CC(C)CNNC(=O)c1ccc(cc1)C#N 22a_100000696102_100000210717 [0,2,0,0,0,0|2,0,0]=4 7190 B16R1.214 CC(C)CNNC(=O)c1ccc(cc1)CO 22a_100000696102_100000183892 [0,2,0,0,0,0|2,0,0]=4 7191 B16R1.214 CC(C)COCC(=O)c1ccc(cc1)C#N 34a_100011592799_100000210624 [0,2,0,0,0,0|2,0,0]=4 7192 B16R1.214 CC(C)CSCC(=O)c1ccc(cc1)C#N 62a_100000210624_100000212069 [0,2,0,0,0,0|2,0,0]=4 7193 B16R1.214 CC(C)CSCC(=O)c1ccc(cc1)C#N 62a_100000212069_100000210760 [0,2,0,0,0,0|2,0,0]=4 7194 B16R1.214 CC(C)OCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000211751 [0,2,0,0,0,0|2,0,0]=4 7195 B16R1.214 CC(C)OCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000211751 [0,2,0,0,0,0|2,0,0]=4 7196 B16R1.214 CC(C)SCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000730970 [0,2,0,0,0,0|2,0,0]=4 7197 B16R1.214 CC(C)SCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000730970 [0,2,0,0,0,0|2,0,0]=4 7198 B16R1.214 CC(O)CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000718107 [0,2,0,0,0,0|2,0,0]=4 7199 B16R1.214 CC(O)CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_200000718107 [0,2,0,0,0,0|2,0,0]=4 7200 B16R1.214 CC(O)CCNC(=O)c1ccc(cc1)C#N 240690a_200000755665_100000210717 [0,2,0,0,0,0|2,0,0]=4 7201 B16R1.214 CC(O)CCNC(=O)c1ccc(cc1)C#N 527a_200000755665_100000210717 [0,2,0,0,0,0|2,0,0]=4 7202 B16R1.214 CC(O)CCNC(=O)c1ccc(cc1)CO 240690a_200000755665_100000183892 [0,2,0,0,0,0|2,0,0]=4 7203 B16R1.214 CCc1ccc(cc1)C(=O)CCCC(C)C 1458a_100000211226_100011214892 [0,2,0,0,0,0|1,0,0]=3 7204 B16R1.214 CCc1ccc(cc1)C(=O)CCCC(C)O 1458a_100000211226_200000718107 [0,2,0,0,0,0|2,0,0]=4 7205 B16R1.214 CCc1ccc(cc1)C(=O)CCCN(C)C 1458a_100000211226_100000695564 [0,2,0,0,0,0|2,0,0]=4 7206 B16R1.214 CCc1ccc(cc1)C(=O)CCOC(C)C 1458a_100000211226_100000211751 [0,2,0,0,0,0|2,0,0]=4 7207 B16R1.214 CCc1ccc(cc1)C(=O)CCSC(C)C 1458a_100000211226_100000730970 [0,2,0,0,0,0|2,0,0]=4 7208 B16R1.214 CCc1ccc(cc1)C(=O)CNCC(C)C 2230a_100000210953_100000689809 [0,2,0,0,0,0|2,0,0]=4 7209 B16R1.214 CCc1ccc(cc1)C(=O)CSCC(C)C 62a_100000210624_100000689809 [0,2,0,0,0,0|2,0,0]=4 7210 B16R1.214 CCc1ccc(cc1)C(=O)CSCC(C)C 62a_100000689809_100000210760 [0,2,0,0,0,0|2,0,0]=4 7211 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100000211226 [0,2,0,0,0,0|1,0,0]=3 7212 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100000211226 [0,2,0,0,0,0|1,0,0]=3 7213 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100000211226 [0,2,0,0,0,0|1,0,0]=3 7214 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100000211226 [0,2,0,0,0,0|1,0,0]=3 7215 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100000211226 [0,2,0,0,0,0|2,0,0]=4 7216 B16R1.214 CCc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100000211226 [0,2,0,0,0,0|2,0,0]=4 7217 B16R1.214 CCc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100000211226 [0,2,0,0,0,0|2,0,0]=4 7218 B16R1.214 CCc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100000211226 [0,2,0,0,0,0|2,0,0]=4 7219 B16R1.214 CCc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100000211226 [0,2,0,0,0,0|2,0,0]=4 7220 B16R1.214 CCc1ccc(cc1)C(C)OCCC(C)C 34a_100011232672_100000210312 [0,2,0,0,0,0|1,0,1]=4 7221 B16R1.214 CCc1ccc(cc1)C(C)OCCC(C)C 7a_100011232672_100000210626 [0,2,0,0,0,0|1,0,1]=4 7222 B16R1.214 CN(C)CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000695564 [0,2,0,0,0,0|2,0,0]=4 7223 B16R1.214 CN(C)CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000695564 [0,2,0,0,0,0|2,0,0]=4 7224 B16R1.214 CN(C)CCNC(=O)c1ccc(cc1)C#N 240690a_100000210585_100000210717 [0,2,0,0,0,0|2,0,0]=4 7225 B16R1.214 CN(C)CCNC(=O)c1ccc(cc1)C#N 527a_100000210585_100000210717 [0,2,0,0,0,0|2,0,0]=4 7226 B16R1.214 CN(C)CCNC(=O)c1ccc(cc1)CO 240690a_100000210585_100000183892 [0,2,0,0,0,0|2,0,0]=4 7227 B16R1.214 COc1ccc(cc1)C(=O)CCCC(C)C 1458a_100000184203_100011214892 [0,2,0,0,0,0|1,0,0]=3 7228 B16R1.214 COc1ccc(cc1)C(=O)CCCC(C)O 1458a_100000184203_200000718107 [0,2,0,0,0,0|2,0,0]=4 7229 B16R1.214 COc1ccc(cc1)C(=O)CCCN(C)C 1458a_100000184203_100000695564 [0,2,0,0,0,0|2,0,0]=4 7230 B16R1.214 COc1ccc(cc1)C(=O)CCCN(C)C 2230a_100102631434_200011215095 [0,2,0,0,0,0|2,0,0]=4 7231 B16R1.214 COc1ccc(cc1)C(=O)CCCN(C)C 269982a_100102631434_200011215095 [0,2,0,0,0,0|2,0,0]=4 7232 B16R1.214 COc1ccc(cc1)C(=O)CCNC(C)C 2230a_100138425928_100000700936 [0,2,0,0,0,0|2,0,0]=4 7233 B16R1.214 COc1ccc(cc1)C(=O)CCOC(C)C 1458a_100000184203_100000211751 [0,2,0,0,0,0|2,0,0]=4 7234 B16R1.214 COc1ccc(cc1)C(=O)CCSC(C)C 1458a_100000184203_100000730970 [0,2,0,0,0,0|2,0,0]=4 7235 B16R1.214 COc1ccc(cc1)C(=O)CCSC(C)C 62a_100000210206_100000700936 [0,2,0,0,0,0|2,0,0]=4 7236 B16R1.214 COc1ccc(cc1)C(=O)CNCC(C)C 2230a_100000210953_100000212054 [0,2,0,0,0,0|2,0,0]=4 7237 B16R1.214 COc1ccc(cc1)C(=O)CSCC(C)C 62a_100000210624_100000212054 [0,2,0,0,0,0|2,0,0]=4 7238 B16R1.214 COc1ccc(cc1)C(=O)CSCC(C)C 62a_100000212054_100000210760 [0,2,0,0,0,0|2,0,0]=4 7239 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100000184203 [0,2,0,0,0,0|1,0,0]=3 7240 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100000184203 [0,2,0,0,0,0|1,0,0]=3 7241 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100000184203 [0,2,0,0,0,0|1,0,0]=3 7242 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100000184203 [0,2,0,0,0,0|1,0,0]=3 7243 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100000184203 [0,2,0,0,0,0|2,0,0]=4 7244 B16R1.214 COc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100000184203 [0,2,0,0,0,0|2,0,0]=4 7245 B16R1.214 COc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100000184203 [0,2,0,0,0,0|2,0,0]=4 7246 B16R1.214 COc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100000184203 [0,2,0,0,0,0|2,0,0]=4 7247 B16R1.214 COc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100000184203 [0,2,0,0,0,0|2,0,0]=4 7248 B16R1.214 COc1ccc(cc1)C(=O)OCCC(C)C 34a_100000031027_200000210301 [0,2,0,0,0,0|0,0,0]=2 7249 B16R1.214 COc1ccc(cc1)C(=O)OCCC(C)C 7a_100000031027_200000210301 [0,2,0,0,0,0|0,0,0]=2 7250 B16R1.214 COc1ccc(cc1)C(C)OCCC(C)C 34a_100000742907_100000210312 [0,2,0,0,0,0|1,0,1]=4 7251 B16R1.214 COc1ccc(cc1)C(C)OCCC(C)C 7a_100000742907_100000210626 [0,2,0,0,0,0|1,0,1]=4 7252 B16R1.214 CSc1ccc(cc1)C(=O)CCCC(C)C 1458a_100000189692_100011214892 [0,2,0,0,0,0|1,0,0]=3 7253 B16R1.214 CSc1ccc(cc1)C(=O)CCCC(C)O 1458a_100000189692_200000718107 [0,2,0,0,0,0|2,0,0]=4 7254 B16R1.214 CSc1ccc(cc1)C(=O)CCCN(C)C 1458a_100000189692_100000695564 [0,2,0,0,0,0|2,0,0]=4 7255 B16R1.214 CSc1ccc(cc1)C(=O)CCOC(C)C 1458a_100000189692_100000211751 [0,2,0,0,0,0|2,0,0]=4 7256 B16R1.214 CSc1ccc(cc1)C(=O)CCSC(C)C 1458a_100000189692_100000730970 [0,2,0,0,0,0|2,0,0]=4 7257 B16R1.214 CSc1ccc(cc1)C(=O)CNCC(C)C 2230a_100000210953_100011216809 [0,2,0,0,0,0|2,0,0]=4 7258 B16R1.214 CSc1ccc(cc1)C(=O)CNCC(C)C 34a_100000210953_100011216809 [0,2,0,0,0,0|2,0,0]=4 7259 B16R1.214 CSc1ccc(cc1)C(=O)COCC(C)C 34a_100000210257_100011216809 [0,2,0,0,0,0|2,0,0]=4 7260 B16R1.214 CSc1ccc(cc1)C(=O)CSCC(C)C 62a_100000210624_100011216809 [0,2,0,0,0,0|2,0,0]=4 7261 B16R1.214 CSc1ccc(cc1)C(=O)CSCC(C)C 62a_100011216809_100000210760 [0,2,0,0,0,0|2,0,0]=4 7262 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)C 11a_100000210545_100000189692 [0,2,0,0,0,0|1,0,0]=3 7263 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)C 1626a_100000210545_100000189692 [0,2,0,0,0,0|1,0,0]=3 7264 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)C 240690a_100000210545_100000189692 [0,2,0,0,0,0|1,0,0]=3 7265 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)C 527a_100000210545_100000189692 [0,2,0,0,0,0|1,0,0]=3 7266 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)O 240690a_200000755665_100000189692 [0,2,0,0,0,0|2,0,0]=4 7267 B16R1.214 CSc1ccc(cc1)C(=O)NCCC(C)O 527a_200000755665_100000189692 [0,2,0,0,0,0|2,0,0]=4 7268 B16R1.214 CSc1ccc(cc1)C(=O)NCCN(C)C 240690a_100000210585_100000189692 [0,2,0,0,0,0|2,0,0]=4 7269 B16R1.214 CSc1ccc(cc1)C(=O)NCCN(C)C 527a_100000210585_100000189692 [0,2,0,0,0,0|2,0,0]=4 7270 B16R1.214 CSc1ccc(cc1)C(=O)NNCC(C)C 22a_100000696102_100000189692 [0,2,0,0,0,0|2,0,0]=4 7271 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Br 11a_100000738805_100000185839 [0,2,0,0,0,0|1,0,0]=3 7272 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Br 1626a_100000738805_100000185839 [0,2,0,0,0,0|1,0,0]=3 7273 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Br 240690a_100000738805_100000185839 [0,2,0,0,0,0|1,0,0]=3 7274 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Br 527a_100000738805_100000185839 [0,2,0,0,0,0|1,0,0]=3 7275 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Cl 11a_100000738805_100000210187 [0,2,0,0,0,0|1,0,0]=3 7276 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Cl 1626a_100000738805_100000210187 [0,2,0,0,0,0|1,0,0]=3 7277 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Cl 240690a_100000738805_100000210187 [0,2,0,0,0,0|1,0,0]=3 7278 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)Cl 527a_100000738805_100000210187 [0,2,0,0,0,0|1,0,0]=3 7279 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)F 11a_100000738805_100000187176 [0,2,0,0,0,0|1,0,0]=3 7280 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)F 1626a_100000738805_100000187176 [0,2,0,0,0,0|1,0,0]=3 7281 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)F 240690a_100000738805_100000187176 [0,2,0,0,0,0|1,0,0]=3 7282 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)F 527a_100000738805_100000187176 [0,2,0,0,0,0|1,0,0]=3 7283 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)I 11a_100000738805_100000187904 [0,2,0,0,0,0|1,0,0]=3 7284 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)I 1626a_100000738805_100000187904 [0,2,0,0,0,0|1,0,0]=3 7285 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)I 240690a_100000738805_100000187904 [0,2,0,0,0,0|1,0,0]=3 7286 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)I 527a_100000738805_100000187904 [0,2,0,0,0,0|1,0,0]=3 7287 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)O 240690a_100000738805_100000212099 [0,2,0,0,0,0|1,0,0]=3 7288 B16R1.1025 CC(C)(C)CCNC(=O)c1ccc(cc1)O 527a_100000738805_100000212099 [0,2,0,0,0,0|1,0,0]=3 7289 B16R1.1025 CC(C)(C)COCC(=O)c1ccc(cc1)F 34a_100000246311_100011219605 [0,2,0,0,0,0|2,0,0]=4 7290 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011219605 [0,2,0,0,0,0|2,0,0]=4 7291 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011219605 [0,2,0,0,0,0|2,0,0]=4 7292 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)Cl 62a_100011219605_100000211071 [0,2,0,0,0,0|2,0,0]=4 7293 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100011219605 [0,2,0,0,0,0|2,0,0]=4 7294 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)F 62a_100011219605_100000211279 [0,2,0,0,0,0|2,0,0]=4 7295 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100011219605 [0,2,0,0,0,0|2,0,0]=4 7296 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)I 62a_100011219605_100011216261 [0,2,0,0,0,0|2,0,0]=4 7297 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100011219605 [0,2,0,0,0,0|2,0,0]=4 7298 B16R1.1025 CC(C)(C)CSCC(=O)c1ccc(cc1)O 62a_100011219605_100009814261 [0,2,0,0,0,0|2,0,0]=4 7299 B16R1.1025 CC(C)(C)NCCC(=O)c1ccc(cc1)F 2230a_100000715429_100000211231 [0,2,0,0,0,0|2,0,0]=4 7300 B16R1.1025 CC(C)(C)NCCC(=O)c1ccc(cc1)O 2230a_100000715429_100009879949 [0,2,0,0,0,0|2,0,0]=4 7301 B16R1.1025 CC(C)(C)OCCC(=O)c1ccc(cc1)Br 7a_100015890283_100011215963 [0,2,0,0,0,0|2,0,0]=4 7302 B16R1.1025 CC(C)(C)OCCC(=O)c1ccc(cc1)Cl 7a_100015890283_100011216492 [0,2,0,0,0,0|2,0,0]=4 7303 B16R1.1025 CC(C)(C)OCCC(=O)c1ccc(cc1)F 7a_100015890283_100000211231 [0,2,0,0,0,0|2,0,0]=4 7304 B16R1.1025 CC(C)(C)OCCC(=O)c1ccc(cc1)O 7a_100015890283_100009879949 [0,2,0,0,0,0|2,0,0]=4 7305 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)Br 62a_100000211941_100011215963 [0,2,0,0,0,0|2,0,0]=4 7306 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000211941 [0,2,0,0,0,0|2,0,0]=4 7307 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)Cl 62a_100000211941_100011216492 [0,2,0,0,0,0|2,0,0]=4 7308 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000211941 [0,2,0,0,0,0|2,0,0]=4 7309 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100000211941 [0,2,0,0,0,0|2,0,0]=4 7310 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)F 62a_100000211941_100000211231 [0,2,0,0,0,0|2,0,0]=4 7311 B16R1.1025 CC(C)(C)SCCC(=O)c1ccc(cc1)O 62a_100000211941_100009879949 [0,2,0,0,0,0|2,0,0]=4 7312 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Br 11a_100016253952_100000185839 [0,2,0,0,0,0|1,0,0]=3 7313 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Br 1626a_100016253952_100000185839 [0,2,0,0,0,0|1,0,0]=3 7314 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Br 240690a_100016253952_100000185839 [0,2,0,0,0,0|1,0,0]=3 7315 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Br 527a_100016253952_100000185839 [0,2,0,0,0,0|1,0,0]=3 7316 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Cl 11a_100016253952_100000210187 [0,2,0,0,0,0|1,0,0]=3 7317 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Cl 1626a_100016253952_100000210187 [0,2,0,0,0,0|1,0,0]=3 7318 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Cl 240690a_100016253952_100000210187 [0,2,0,0,0,0|1,0,0]=3 7319 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)Cl 527a_100016253952_100000210187 [0,2,0,0,0,0|1,0,0]=3 7320 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)F 11a_100016253952_100000187176 [0,2,0,0,0,0|1,0,0]=3 7321 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)F 1626a_100016253952_100000187176 [0,2,0,0,0,0|1,0,0]=3 7322 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)F 240690a_100016253952_100000187176 [0,2,0,0,0,0|1,0,0]=3 7323 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)F 527a_100016253952_100000187176 [0,2,0,0,0,0|1,0,0]=3 7324 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)I 11a_100016253952_100000187904 [0,2,0,0,0,0|1,0,0]=3 7325 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)I 1626a_100016253952_100000187904 [0,2,0,0,0,0|1,0,0]=3 7326 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)I 240690a_100016253952_100000187904 [0,2,0,0,0,0|1,0,0]=3 7327 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)I 527a_100016253952_100000187904 [0,2,0,0,0,0|1,0,0]=3 7328 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)O 240690a_100016253952_100000212099 [0,2,0,0,0,0|1,0,0]=3 7329 B16R1.1025 CC(C)(F)CCNC(=O)c1ccc(cc1)O 527a_100016253952_100000212099 [0,2,0,0,0,0|1,0,0]=3 7330 B16R1.1025 CC(C)(F)COCC(=O)c1ccc(cc1)Br 34a_100000716592_100000188085 [0,2,0,0,0,0|2,0,0]=4 7331 B16R1.1025 CC(C)(F)COCC(=O)c1ccc(cc1)F 34a_100000246311_100011997219 [0,2,0,0,0,0|2,0,0]=4 7332 B16R1.1025 CC(C)(F)COCC(=O)c1ccc(cc1)I 34a_100000716592_100011216261 [0,2,0,0,0,0|2,0,0]=4 7333 B16R1.1025 CC(C)(F)COCC(=O)c1ccc(cc1)O 34a_100000716592_100009814261 [0,2,0,0,0,0|2,0,0]=4 7334 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011997219 [0,2,0,0,0,0|2,0,0]=4 7335 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011997219 [0,2,0,0,0,0|2,0,0]=4 7336 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)Cl 62a_100011997219_100000211071 [0,2,0,0,0,0|2,0,0]=4 7337 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100011997219 [0,2,0,0,0,0|2,0,0]=4 7338 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)F 62a_100011997219_100000211279 [0,2,0,0,0,0|2,0,0]=4 7339 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100011997219 [0,2,0,0,0,0|2,0,0]=4 7340 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)I 62a_100011997219_100011216261 [0,2,0,0,0,0|2,0,0]=4 7341 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100011997219 [0,2,0,0,0,0|2,0,0]=4 7342 B16R1.1025 CC(C)(F)CSCC(=O)c1ccc(cc1)O 62a_100011997219_100009814261 [0,2,0,0,0,0|2,0,0]=4 7343 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)Br 1626a_100000707701_100000185839 [0,2,0,0,0,0|1,0,0]=3 7344 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)Br 527a_100000707701_100000185839 [0,2,0,0,0,0|1,0,0]=3 7345 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)Cl 1626a_100000707701_100000210187 [0,2,0,0,0,0|1,0,0]=3 7346 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)Cl 527a_100000707701_100000210187 [0,2,0,0,0,0|1,0,0]=3 7347 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)F 1626a_100000707701_100000187176 [0,2,0,0,0,0|1,0,0]=3 7348 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)F 527a_100000707701_100000187176 [0,2,0,0,0,0|1,0,0]=3 7349 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)I 1626a_100000707701_100000187904 [0,2,0,0,0,0|1,0,0]=3 7350 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)I 527a_100000707701_100000187904 [0,2,0,0,0,0|1,0,0]=3 7351 B16R1.1025 CC(C)(O)CCNC(=O)c1ccc(cc1)O 527a_100000707701_100000212099 [0,2,0,0,0,0|1,0,0]=3 7352 B16R1.1025 CC(C)(O)COCC(=O)c1ccc(cc1)F 34a_100000246311_100000764493 [0,2,0,0,0,0|2,0,0]=4 7353 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000764493 [0,2,0,0,0,0|2,0,0]=4 7354 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000764493 [0,2,0,0,0,0|2,0,0]=4 7355 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)Cl 62a_100000764493_100000211071 [0,2,0,0,0,0|2,0,0]=4 7356 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100000764493 [0,2,0,0,0,0|2,0,0]=4 7357 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)F 62a_100000764493_100000211279 [0,2,0,0,0,0|2,0,0]=4 7358 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)I 62a_100000764493_100011216261 [0,2,0,0,0,0|2,0,0]=4 7359 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100000764493 [0,2,0,0,0,0|2,0,0]=4 7360 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)O 62a_100000764493_100009814261 [0,2,0,0,0,0|2,0,0]=4 7361 B16R1.1025 CC(C)(O)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100000764493 [0,2,0,0,0,0|2,0,0]=4 7362 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)Br 34a_100000745893_100000755188 [0,2,0,0,0,0|1,0,1]=4 7363 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)Br 7a_100000745893_100000755188 [0,2,0,0,0,0|1,0,1]=4 7364 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)Cl 7a_100000765024_100000684792 [0,2,0,0,0,0|1,0,1]=4 7365 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)F 34a_100000181323_100000755188 [0,2,0,0,0,0|1,0,1]=4 7366 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)F 7a_100000181323_100000755188 [0,2,0,0,0,0|1,0,1]=4 7367 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)F 7a_100000765024_100000743420 [0,2,0,0,0,0|1,0,1]=4 7368 B16R1.1025 CC(OCCC(C)(C)C)c1ccc(cc1)N 34a_100011216399_100000755188 [0,2,0,0,0,0|1,0,1]=4 7369 B16R1.1025 CC(OCCC(C)(C)O)c1ccc(cc1)Br 34a_100000745893_100000702414 [0,2,0,0,0,0|1,0,1]=4 7370 B16R1.1025 CC(OCCC(C)(C)O)c1ccc(cc1)Br 7a_100000745893_100000702414 [0,2,0,0,0,0|1,0,1]=4 7371 B16R1.1025 CC(OCCC(C)(C)O)c1ccc(cc1)F 34a_100000181323_100000702414 [0,2,0,0,0,0|1,0,1]=4 7372 B16R1.1025 CC(OCCC(C)(C)O)c1ccc(cc1)F 7a_100000181323_100000702414 [0,2,0,0,0,0|1,0,1]=4 7373 B16R1.1025 CC(OCCC(C)(C)O)c1ccc(cc1)N 34a_100011216399_100000702414 [0,2,0,0,0,0|1,0,1]=4 7374 B16R1.1025 C[C@H](OCCC(C)(C)C)c1ccc(cc1)Cl 34a_100011852131_100000755188 [0,2,0,0,0,0|1,0,1]=4 7375 B16R1.1025 C[C@H](OCCC(C)(C)C)c1ccc(cc1)Cl 7a_100011852131_100000755188 [0,2,0,0,0,0|1,0,1]=4 7376 B16R1.1025 C[C@H](OCCC(C)(C)O)c1ccc(cc1)Cl 34a_100011852131_100000702414 [0,2,0,0,0,0|1,0,1]=4 7377 B16R1.1025 C[C@H](OCCC(C)(C)O)c1ccc(cc1)Cl 7a_100011852131_100000702414 [0,2,0,0,0,0|1,0,1]=4 7378 B16R1.1025 C[N+](C)(C)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100016990835 [0,2,0,0,0,0|2,0,0]=4 7379 B16R1.1025 C[N+](C)(C)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100016990835 [0,2,0,0,0,0|2,0,0]=4 7380 B16R1.1025 C[N+](C)(C)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100016990835 [0,2,0,0,0,0|2,0,0]=4 7381 B16R1.1025 C[N+](C)(C)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100016990835 [0,2,0,0,0,0|2,0,0]=4 7382 B16R1.1025 C[N+](C)(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100016990835 [0,2,0,0,0,0|2,0,0]=4 7383 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Br 1626a_100000106457_100000185839 [0,2,0,0,0,0|2,0,0]=4 7384 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Br 240690a_100000106457_100000185839 [0,2,0,0,0,0|2,0,0]=4 7385 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Br 527a_100000106457_100000185839 [0,2,0,0,0,0|2,0,0]=4 7386 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Cl 1626a_100000106457_100000210187 [0,2,0,0,0,0|2,0,0]=4 7387 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Cl 240690a_100000106457_100000210187 [0,2,0,0,0,0|2,0,0]=4 7388 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)Cl 527a_100000106457_100000210187 [0,2,0,0,0,0|2,0,0]=4 7389 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)F 1626a_100000106457_100000187176 [0,2,0,0,0,0|2,0,0]=4 7390 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)F 240690a_100000106457_100000187176 [0,2,0,0,0,0|2,0,0]=4 7391 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)F 527a_100000106457_100000187176 [0,2,0,0,0,0|2,0,0]=4 7392 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)I 1626a_100000106457_100000187904 [0,2,0,0,0,0|2,0,0]=4 7393 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)I 240690a_100000106457_100000187904 [0,2,0,0,0,0|2,0,0]=4 7394 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)I 527a_100000106457_100000187904 [0,2,0,0,0,0|2,0,0]=4 7395 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)O 240690a_100000106457_100000212099 [0,2,0,0,0,0|2,0,0]=4 7396 B16R1.1025 C[N+](C)(C)CCNC(=O)c1ccc(cc1)O 527a_100000106457_100000212099 [0,2,0,0,0,0|2,0,0]=4 7397 B16R1.1025 C[Si](C)(C)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011219597 [0,2,0,0,0,0|1,1,0]=4 7398 B16R1.1025 C[Si](C)(C)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011219597 [0,2,0,0,0,0|1,1,0]=4 7399 B16R1.1025 C[Si](C)(C)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011219597 [0,2,0,0,0,0|1,1,0]=4 7400 B16R1.1025 C[Si](C)(C)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011219597 [0,2,0,0,0,0|1,1,0]=4 7401 B16R1.1025 C[Si](C)(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011219597 [0,2,0,0,0,0|1,1,0]=4 7402 B16R1.1025 Cc1ccc(cc1)C(=O)CCC[N+](C)(C)C 1458a_100000188618_100016990835 [0,2,0,0,0,0|2,0,0]=4 7403 B16R1.1025 Cc1ccc(cc1)C(=O)CCC[Si](C)(C)C 1458a_100000188618_100011219597 [0,2,0,0,0,0|1,1,0]=4 7404 B16R1.1025 Cc1ccc(cc1)C(=O)CCNC(C)(C)C 2230a_100000715429_100000701375 [0,2,0,0,0,0|2,0,0]=4 7405 B16R1.1025 Cc1ccc(cc1)C(=O)CCOC(C)(C)C 7a_100015890283_100000701375 [0,2,0,0,0,0|2,0,0]=4 7406 B16R1.1025 Cc1ccc(cc1)C(=O)CCSC(C)(C)C 62a_100000211941_100000701375 [0,2,0,0,0,0|2,0,0]=4 7407 B16R1.1025 Cc1ccc(cc1)C(=O)CCSC(C)(C)C 62a_100000701375_100000211941 [0,2,0,0,0,0|2,0,0]=4 7408 B16R1.1025 Cc1ccc(cc1)C(=O)CNCC(C)(C)C 2230a_100000743828_100000211441 [0,2,0,0,0,0|2,0,0]=4 7409 B16R1.1025 Cc1ccc(cc1)C(=O)CNCC(C)(C)F 2230a_100020643315_100000211441 [0,2,0,0,0,0|2,0,0]=4 7410 B16R1.1025 Cc1ccc(cc1)C(=O)CNCC(C)(C)O 2230a_100000751335_100000211441 [0,2,0,0,0,0|2,0,0]=4 7411 B16R1.1025 Cc1ccc(cc1)C(=O)COCC(C)(C)F 34a_100000716592_100000211441 [0,2,0,0,0,0|2,0,0]=4 7412 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)C 62a_100000211441_100011219605 [0,2,0,0,0,0|2,0,0]=4 7413 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)C 62a_100011219605_100000211441 [0,2,0,0,0,0|2,0,0]=4 7414 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)F 62a_100000211441_100011997219 [0,2,0,0,0,0|2,0,0]=4 7415 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)F 62a_100011997219_100000211441 [0,2,0,0,0,0|2,0,0]=4 7416 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)O 62a_100000211441_100000764493 [0,2,0,0,0,0|2,0,0]=4 7417 B16R1.1025 Cc1ccc(cc1)C(=O)CSCC(C)(C)O 62a_100000764493_100000211441 [0,2,0,0,0,0|2,0,0]=4 7418 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)C 11a_100000738805_100000188618 [0,2,0,0,0,0|1,0,0]=3 7419 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)C 1626a_100000738805_100000188618 [0,2,0,0,0,0|1,0,0]=3 7420 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)C 240690a_100000738805_100000188618 [0,2,0,0,0,0|1,0,0]=3 7421 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)C 527a_100000738805_100000188618 [0,2,0,0,0,0|1,0,0]=3 7422 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)F 11a_100016253952_100000188618 [0,2,0,0,0,0|1,0,0]=3 7423 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)F 1626a_100016253952_100000188618 [0,2,0,0,0,0|1,0,0]=3 7424 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)F 240690a_100016253952_100000188618 [0,2,0,0,0,0|1,0,0]=3 7425 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)F 527a_100016253952_100000188618 [0,2,0,0,0,0|1,0,0]=3 7426 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)O 1626a_100000707701_100000188618 [0,2,0,0,0,0|1,0,0]=3 7427 B16R1.1025 Cc1ccc(cc1)C(=O)NCCC(C)(C)O 527a_100000707701_100000188618 [0,2,0,0,0,0|1,0,0]=3 7428 B16R1.1025 Cc1ccc(cc1)C(=O)NCC[N+](C)(C)C 1626a_100000106457_100000188618 [0,2,0,0,0,0|2,0,0]=4 7429 B16R1.1025 Cc1ccc(cc1)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000188618 [0,2,0,0,0,0|2,0,0]=4 7430 B16R1.1025 Cc1ccc(cc1)C(=O)NCC[N+](C)(C)C 527a_100000106457_100000188618 [0,2,0,0,0,0|2,0,0]=4 7431 B16R1.1025 Cc1ccc(cc1)C(C)OCCC(C)(C)C 7a_100000765024_100011261388 [0,2,0,0,0,0|1,0,1]=4 7432 B16R1.1025 Cc1ccc(cc1)[C@@H](C)OCCC(C)(C)C 34a_100000690690_100000755188 [0,2,0,0,0,0|1,0,1]=4 7433 B16R1.1025 Cc1ccc(cc1)[C@@H](C)OCCC(C)(C)C 7a_100000690690_100000755188 [0,2,0,0,0,0|1,0,1]=4 7434 B16R1.1025 Cc1ccc(cc1)[C@@H](C)OCCC(C)(C)O 34a_100000690690_100000702414 [0,2,0,0,0,0|1,0,1]=4 7435 B16R1.1025 Cc1ccc(cc1)[C@@H](C)OCCC(C)(C)O 7a_100000690690_100000702414 [0,2,0,0,0,0|1,0,1]=4 7436 B16R1.1025 [2H]C(OCCC(C)(C)C)c1ccc(cc1)F 34a_217856618577_100000755188 [0,2,0,0,0,0|1,0,1]=4 7437 B16R1.1025 [2H]C(OCCC(C)(C)C)c1ccc(cc1)F 7a_217856618577_100000755188 [0,2,0,0,0,0|1,0,1]=4 7438 B16R1.1025 [2H]C(OCCC(C)(C)O)c1ccc(cc1)F 34a_217856618577_100000702414 [0,2,0,0,0,0|1,0,1]=4 7439 B16R1.1025 [2H]C(OCCC(C)(C)O)c1ccc(cc1)F 7a_217856618577_100000702414 [0,2,0,0,0,0|1,0,1]=4 7440 B16R1.1027 CC(C)CCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100011261404 [0,2,0,0,0,0|1,0,0]=3 7441 B16R1.1027 CC(C)CCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100011261404 [0,2,0,0,0,0|1,0,0]=3 7442 B16R1.1027 CC(C)CCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100011261404 [0,2,0,0,0,0|1,0,0]=3 7443 B16R1.1027 CC(C)CCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100011261404 [0,2,0,0,0,0|1,0,0]=3 7444 B16R1.1027 CC(C)CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100011261404 [0,2,0,0,0,0|1,0,0]=3 7445 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Br 11a_100000742789_100000185839 [0,2,0,0,0,0|1,0,0]=3 7446 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Br 1626a_100000742789_100000185839 [0,2,0,0,0,0|1,0,0]=3 7447 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Br 240690a_100000742789_100000185839 [0,2,0,0,0,0|1,0,0]=3 7448 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Br 527a_100000742789_100000185839 [0,2,0,0,0,0|1,0,0]=3 7449 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Cl 11a_100000742789_100000210187 [0,2,0,0,0,0|1,0,0]=3 7450 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Cl 1626a_100000742789_100000210187 [0,2,0,0,0,0|1,0,0]=3 7451 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Cl 240690a_100000742789_100000210187 [0,2,0,0,0,0|1,0,0]=3 7452 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)Cl 527a_100000742789_100000210187 [0,2,0,0,0,0|1,0,0]=3 7453 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)F 11a_100000742789_100000187176 [0,2,0,0,0,0|1,0,0]=3 7454 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)F 1626a_100000742789_100000187176 [0,2,0,0,0,0|1,0,0]=3 7455 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)F 240690a_100000742789_100000187176 [0,2,0,0,0,0|1,0,0]=3 7456 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)F 527a_100000742789_100000187176 [0,2,0,0,0,0|1,0,0]=3 7457 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)I 11a_100000742789_100000187904 [0,2,0,0,0,0|1,0,0]=3 7458 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)I 1626a_100000742789_100000187904 [0,2,0,0,0,0|1,0,0]=3 7459 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)I 240690a_100000742789_100000187904 [0,2,0,0,0,0|1,0,0]=3 7460 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)I 527a_100000742789_100000187904 [0,2,0,0,0,0|1,0,0]=3 7461 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)O 240690a_100000742789_100000212099 [0,2,0,0,0,0|1,0,0]=3 7462 B16R1.1027 CC(C)CCN(C)C(=O)c1ccc(cc1)O 527a_100000742789_100000212099 [0,2,0,0,0,0|1,0,0]=3 7463 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)Br 2230a_100000210953_100000184162 [0,2,0,0,0,0|2,0,0]=4 7464 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)Br 34a_100000210953_100000184162 [0,2,0,0,0,0|2,0,0]=4 7465 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)Cl 2230a_100000210953_100000183210 [0,2,0,0,0,0|2,0,0]=4 7466 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)F 2230a_100000210953_100000229918 [0,2,0,0,0,0|2,0,0]=4 7467 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)F 34a_100000210953_100000229918 [0,2,0,0,0,0|2,0,0]=4 7468 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)O 2230a_100000210953_200010205864 [0,2,0,0,0,0|2,0,0]=4 7469 B16R1.1027 CC(C)CNC(C)C(=O)c1ccc(cc1)O 34a_100000210953_200010205864 [0,2,0,0,0,0|2,0,0]=4 7470 B16R1.1027 CC(C)COC(C)C(=O)c1ccc(cc1)Br 34a_100000210257_100000184162 [0,2,0,0,0,0|2,0,0]=4 7471 B16R1.1027 CC(C)COC(C)C(=O)c1ccc(cc1)F 34a_100000210257_100000229918 [0,2,0,0,0,0|2,0,0]=4 7472 B16R1.1027 CC(C)COC(C)C(=O)c1ccc(cc1)O 34a_100000210257_200010205864 [0,2,0,0,0,0|2,0,0]=4 7473 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_100000210760 [0,2,0,0,0,0|2,0,0]=4 7474 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)Br 62a_100000210624_100000184162 [0,2,0,0,0,0|2,0,0]=4 7475 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_100000210760 [0,2,0,0,0,0|2,0,0]=4 7476 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)Cl 62a_100000210624_100000183210 [0,2,0,0,0,0|2,0,0]=4 7477 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)F 62a_100000210624_100000229918 [0,2,0,0,0,0|2,0,0]=4 7478 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_100000210760 [0,2,0,0,0,0|2,0,0]=4 7479 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)O 62a_100000210624_200010205864 [0,2,0,0,0,0|2,0,0]=4 7480 B16R1.1027 CC(C)CSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_100000210760 [0,2,0,0,0,0|2,0,0]=4 7481 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)Br 240690a_100000225618_100000185839 [0,2,0,0,0,0|2,0,0]=4 7482 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)Br 527a_100000225618_100000185839 [0,2,0,0,0,0|2,0,0]=4 7483 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)Cl 240690a_100000225618_100000210187 [0,2,0,0,0,0|2,0,0]=4 7484 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)Cl 527a_100000225618_100000210187 [0,2,0,0,0,0|2,0,0]=4 7485 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)F 240690a_100000225618_100000187176 [0,2,0,0,0,0|2,0,0]=4 7486 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)F 527a_100000225618_100000187176 [0,2,0,0,0,0|2,0,0]=4 7487 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)I 240690a_100000225618_100000187904 [0,2,0,0,0,0|2,0,0]=4 7488 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)I 527a_100000225618_100000187904 [0,2,0,0,0,0|2,0,0]=4 7489 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)O 240690a_100000225618_100000212099 [0,2,0,0,0,0|2,0,0]=4 7490 B16R1.1027 CN(C)CCN(C)C(=O)c1ccc(cc1)O 527a_100000225618_100000212099 [0,2,0,0,0,0|2,0,0]=4 7491 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)CCC(C)C 1458a_100000188618_100011261404 [0,2,0,0,0,0|1,0,0]=3 7492 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)NCC(C)C 2230a_100000210953_100000726416 [0,2,0,0,0,0|2,0,0]=4 7493 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)NCC(C)C 34a_100000210953_100000726416 [0,2,0,0,0,0|2,0,0]=4 7494 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)OCC(C)C 34a_100000210257_100000726416 [0,2,0,0,0,0|2,0,0]=4 7495 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)SCC(C)C 62a_100000210624_100000726416 [0,2,0,0,0,0|2,0,0]=4 7496 B16R1.1027 Cc1ccc(cc1)C(=O)C(C)SCC(C)C 62a_100000726416_100000210760 [0,2,0,0,0,0|2,0,0]=4 7497 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCC(C)C 11a_100000742789_100000188618 [0,2,0,0,0,0|1,0,0]=3 7498 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCC(C)C 1626a_100000742789_100000188618 [0,2,0,0,0,0|1,0,0]=3 7499 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCC(C)C 240690a_100000742789_100000188618 [0,2,0,0,0,0|1,0,0]=3 7500 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCC(C)C 527a_100000742789_100000188618 [0,2,0,0,0,0|1,0,0]=3 7501 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCN(C)C 240690a_100000225618_100000188618 [0,2,0,0,0,0|2,0,0]=4 7502 B16R1.1027 Cc1ccc(cc1)C(=O)N(C)CCN(C)C 527a_100000225618_100000188618 [0,2,0,0,0,0|2,0,0]=4 7503 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210554_100000188085 [0,2,0,0,0,0|1,0,1]=4 7504 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210554_100000211071 [0,2,0,0,0,0|1,0,1]=4 7505 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210554_100000211279 [0,2,0,0,0,0|1,0,1]=4 7506 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210554_100011216261 [0,2,0,0,0,0|1,0,1]=4 7507 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210554_100009814261 [0,2,0,0,0,0|1,0,1]=4 7508 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Br 11a_100000692259_100000185839 [0,2,0,0,0,0|1,0,0]=3 7509 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Br 1626a_100000692259_100000185839 [0,2,0,0,0,0|1,0,0]=3 7510 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Br 240690a_100000692259_100000185839 [0,2,0,0,0,0|1,0,0]=3 7511 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Br 527a_100000692259_100000185839 [0,2,0,0,0,0|1,0,0]=3 7512 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Cl 11a_100000692259_100000210187 [0,2,0,0,0,0|1,0,0]=3 7513 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Cl 1626a_100000692259_100000210187 [0,2,0,0,0,0|1,0,0]=3 7514 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Cl 240690a_100000692259_100000210187 [0,2,0,0,0,0|1,0,0]=3 7515 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)Cl 527a_100000692259_100000210187 [0,2,0,0,0,0|1,0,0]=3 7516 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)F 11a_100000692259_100000187176 [0,2,0,0,0,0|1,0,0]=3 7517 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)F 1626a_100000692259_100000187176 [0,2,0,0,0,0|1,0,0]=3 7518 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)F 240690a_100000692259_100000187176 [0,2,0,0,0,0|1,0,0]=3 7519 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)F 527a_100000692259_100000187176 [0,2,0,0,0,0|1,0,0]=3 7520 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)I 11a_100000692259_100000187904 [0,2,0,0,0,0|1,0,0]=3 7521 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)I 1626a_100000692259_100000187904 [0,2,0,0,0,0|1,0,0]=3 7522 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)I 240690a_100000692259_100000187904 [0,2,0,0,0,0|1,0,0]=3 7523 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)I 527a_100000692259_100000187904 [0,2,0,0,0,0|1,0,0]=3 7524 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)O 240690a_100000692259_100000212099 [0,2,0,0,0,0|1,0,0]=3 7525 B16R1.1038 CC(C)CC(C)NC(=O)c1ccc(cc1)O 527a_100000692259_100000212099 [0,2,0,0,0,0|1,0,0]=3 7526 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)Br 34a_100000211805_100000755118 [0,2,0,0,0,0|1,0,1]=4 7527 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000731052 [0,2,0,0,0,0|1,0,1]=4 7528 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000731052 [0,2,0,0,0,0|1,0,1]=4 7529 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)Cl 7a_100000211805_100000684792 [0,2,0,0,0,0|1,0,1]=4 7530 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000731052 [0,2,0,0,0,0|1,0,1]=4 7531 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)F 34a_100000211805_100000743420 [0,2,0,0,0,0|1,0,1]=4 7532 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000731052 [0,2,0,0,0,0|1,0,1]=4 7533 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)F 7a_100000211805_100000743420 [0,2,0,0,0,0|1,0,1]=4 7534 B16R1.1038 CC(C)CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000731052 [0,2,0,0,0,0|1,0,1]=4 7535 B16R1.1038 CC(C)CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000731052 [0,2,0,0,0,0|1,0,1]=4 7536 B16R1.1038 CC(C)CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000731052 [0,2,0,0,0,0|1,0,1]=4 7537 B16R1.1038 CC(C)CN(C)CC(=O)c1ccc(cc1)Br 269982a_100000747067_100000188085 [0,2,0,0,0,0|2,0,0]=4 7538 B16R1.1038 CC(C)CN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000747067_100000211071 [0,2,0,0,0,0|2,0,0]=4 7539 B16R1.1038 CC(C)CN(C)CC(=O)c1ccc(cc1)F 269982a_100000747067_100000211279 [0,2,0,0,0,0|2,0,0]=4 7540 B16R1.1038 CC(C)CN(C)CC(=O)c1ccc(cc1)I 269982a_100000747067_100011216261 [0,2,0,0,0,0|2,0,0]=4 7541 B16R1.1038 CC(C)CN(C)CC(=O)c1ccc(cc1)O 269982a_100000747067_100009814261 [0,2,0,0,0,0|2,0,0]=4 7542 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Br 11a_100016992788_100000185839 [0,2,0,0,0,0|2,0,0]=4 7543 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Br 240690a_100016992788_100000185839 [0,2,0,0,0,0|2,0,0]=4 7544 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Br 527a_100016992788_100000185839 [0,2,0,0,0,0|2,0,0]=4 7545 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Cl 11a_100016992788_100000210187 [0,2,0,0,0,0|2,0,0]=4 7546 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Cl 240690a_100016992788_100000210187 [0,2,0,0,0,0|2,0,0]=4 7547 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)Cl 527a_100016992788_100000210187 [0,2,0,0,0,0|2,0,0]=4 7548 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)F 11a_100016992788_100000187176 [0,2,0,0,0,0|2,0,0]=4 7549 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)F 240690a_100016992788_100000187176 [0,2,0,0,0,0|2,0,0]=4 7550 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)F 527a_100016992788_100000187176 [0,2,0,0,0,0|2,0,0]=4 7551 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)I 11a_100016992788_100000187904 [0,2,0,0,0,0|2,0,0]=4 7552 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)I 240690a_100016992788_100000187904 [0,2,0,0,0,0|2,0,0]=4 7553 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)I 527a_100016992788_100000187904 [0,2,0,0,0,0|2,0,0]=4 7554 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)O 240690a_100016992788_100000212099 [0,2,0,0,0,0|2,0,0]=4 7555 B16R1.1038 CC(CN(C)C)NC(=O)c1ccc(cc1)O 527a_100016992788_100000212099 [0,2,0,0,0,0|2,0,0]=4 7556 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000211441 [0,2,0,0,0,0|1,0,1]=4 7557 B16R1.1038 Cc1ccc(cc1)C(=O)CN(C)CC(C)C 2230a_100000747067_100000211441 [0,2,0,0,0,0|2,0,0]=4 7558 B16R1.1038 Cc1ccc(cc1)C(=O)CN(C)CC(C)C 269982a_100000747067_100000211441 [0,2,0,0,0,0|2,0,0]=4 7559 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CC(C)C 11a_100000692259_100000188618 [0,2,0,0,0,0|1,0,0]=3 7560 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CC(C)C 1626a_100000692259_100000188618 [0,2,0,0,0,0|1,0,0]=3 7561 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CC(C)C 240690a_100000692259_100000188618 [0,2,0,0,0,0|1,0,0]=3 7562 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CC(C)C 527a_100000692259_100000188618 [0,2,0,0,0,0|1,0,0]=3 7563 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CN(C)C 11a_100016992788_100000188618 [0,2,0,0,0,0|2,0,0]=4 7564 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CN(C)C 240690a_100016992788_100000188618 [0,2,0,0,0,0|2,0,0]=4 7565 B16R1.1038 Cc1ccc(cc1)C(=O)NC(C)CN(C)C 527a_100016992788_100000188618 [0,2,0,0,0,0|2,0,0]=4 7566 B16R1.1038 Cc1ccc(cc1)C(C)OC(C)CC(C)C 34a_100000211805_100011261388 [0,2,0,0,0,0|1,0,1]=4 7567 B16R1.1038 Cc1ccc(cc1)C(C)OC(C)CC(C)C 7a_100000211805_100011261388 [0,2,0,0,0,0|1,0,1]=4 7568 B16R1.1038 Cc1ccc(cc1)[C@@H](C)OC(C)CC(C)C 34a_100000690690_100000731052 [0,2,0,0,0,0|1,0,1]=4 7569 B16R1.1038 Cc1ccc(cc1)[C@@H](C)OC(C)CC(C)C 7a_100000690690_100000731052 [0,2,0,0,0,0|1,0,1]=4 7570 B16R1.1038 [2H]C(OC(C)CC(C)C)c1ccc(cc1)F 34a_217856618577_100000731052 [0,2,0,0,0,0|1,0,1]=4 7571 B16R1.1038 [2H]C(OC(C)CC(C)C)c1ccc(cc1)F 7a_217856618577_100000731052 [0,2,0,0,0,0|1,0,1]=4 7572 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100011214892 [0,2,0,0,0,0|1,0,0]=3 7573 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011214892 [0,2,0,0,0,0|1,0,0]=3 7574 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100011214892 [0,2,0,0,0,0|1,0,0]=3 7575 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100011214892 [0,2,0,0,0,0|1,0,0]=3 7576 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011214892 [0,2,0,0,0,0|1,0,0]=3 7577 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011214892 [0,2,0,0,0,0|1,0,0]=3 7578 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011214892 [0,2,0,0,0,0|1,0,0]=3 7579 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100011214892 [0,2,0,0,0,0|1,0,0]=3 7580 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100011214892 [0,2,0,0,0,0|1,0,0]=3 7581 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011214892 [0,2,0,0,0,0|1,0,0]=3 7582 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100011214892 [0,2,0,0,0,0|1,0,0]=3 7583 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100011214892 [0,2,0,0,0,0|1,0,0]=3 7584 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100011214892 [0,2,0,0,0,0|1,0,0]=3 7585 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100011214892 [0,2,0,0,0,0|1,0,0]=3 7586 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011214892 [0,2,0,0,0,0|1,0,0]=3 7587 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100011214892 [0,2,0,0,0,0|1,0,0]=3 7588 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100011214892 [0,2,0,0,0,0|1,0,0]=3 7589 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100011214892 [0,2,0,0,0,0|1,0,0]=3 7590 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100011214892 [0,2,0,0,0,0|1,0,0]=3 7591 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011214892 [0,2,0,0,0,0|1,0,0]=3 7592 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100011214892 [0,2,0,0,0,0|1,0,0]=3 7593 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011214892 [0,2,0,0,0,0|1,0,0]=3 7594 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100011214892 [0,2,0,0,0,0|1,0,0]=3 7595 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100011214892 [0,2,0,0,0,0|1,0,0]=3 7596 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214892 [0,2,0,0,0,0|1,0,0]=3 7597 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Br 11a_100000210545_100012339404 [0,2,0,0,0,0|1,0,0]=3 7598 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Br 1626a_100000210545_100012339404 [0,2,0,0,0,0|1,0,0]=3 7599 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100000210545_100012339404 [0,2,0,0,0,0|1,0,0]=3 7600 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Br 527a_100000210545_100012339404 [0,2,0,0,0,0|1,0,0]=3 7601 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Cl 11a_100000210545_100000691181 [0,2,0,0,0,0|1,0,0]=3 7602 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Cl 1626a_100000210545_100000691181 [0,2,0,0,0,0|1,0,0]=3 7603 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100000210545_100000691181 [0,2,0,0,0,0|1,0,0]=3 7604 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100000210545_100000691181 [0,2,0,0,0,0|1,0,0]=3 7605 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)F 11a_100000210545_100000760357 [0,2,0,0,0,0|1,0,0]=3 7606 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)F 1626a_100000210545_100000760357 [0,2,0,0,0,0|1,0,0]=3 7607 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)F 240690a_100000210545_100000760357 [0,2,0,0,0,0|1,0,0]=3 7608 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)F 527a_100000210545_100000760357 [0,2,0,0,0,0|1,0,0]=3 7609 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)I 11a_100000210545_100000739115 [0,2,0,0,0,0|1,0,0]=3 7610 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)I 1626a_100000210545_100000739115 [0,2,0,0,0,0|1,0,0]=3 7611 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)I 240690a_100000210545_100000739115 [0,2,0,0,0,0|1,0,0]=3 7612 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)I 527a_100000210545_100000739115 [0,2,0,0,0,0|1,0,0]=3 7613 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Br)O 240690a_100000210545_100000189672 [0,2,0,0,0,0|1,0,0]=3 7614 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Br 11a_100000210545_100000687082 [0,2,0,0,0,0|1,0,0]=3 7615 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Br 1626a_100000210545_100000687082 [0,2,0,0,0,0|1,0,0]=3 7616 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100000210545_100000687082 [0,2,0,0,0,0|1,0,0]=3 7617 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100000210545_100000687082 [0,2,0,0,0,0|1,0,0]=3 7618 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100000210545_100000210401 [0,2,0,0,0,0|1,0,0]=3 7619 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100000210545_100000210401 [0,2,0,0,0,0|1,0,0]=3 7620 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100000210545_100000210401 [0,2,0,0,0,0|1,0,0]=3 7621 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100000210545_100000210401 [0,2,0,0,0,0|1,0,0]=3 7622 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)F 11a_100000210545_100000686462 [0,2,0,0,0,0|1,0,0]=3 7623 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)F 1626a_100000210545_100000686462 [0,2,0,0,0,0|1,0,0]=3 7624 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100000210545_100000686462 [0,2,0,0,0,0|1,0,0]=3 7625 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)F 527a_100000210545_100000686462 [0,2,0,0,0,0|1,0,0]=3 7626 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)I 11a_100000210545_100000684831 [0,2,0,0,0,0|1,0,0]=3 7627 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)I 1626a_100000210545_100000684831 [0,2,0,0,0,0|1,0,0]=3 7628 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100000210545_100000684831 [0,2,0,0,0,0|1,0,0]=3 7629 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)I 527a_100000210545_100000684831 [0,2,0,0,0,0|1,0,0]=3 7630 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000210545_100000212196 [0,2,0,0,0,0|1,0,0]=3 7631 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)Cl)O 527a_100000210545_100000212196 [0,2,0,0,0,0|1,0,0]=3 7632 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Br 11a_100000210545_100000743946 [0,2,0,0,0,0|1,0,0]=3 7633 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Br 1626a_100000210545_100000743946 [0,2,0,0,0,0|1,0,0]=3 7634 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Br 240690a_100000210545_100000743946 [0,2,0,0,0,0|1,0,0]=3 7635 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Br 527a_100000210545_100000743946 [0,2,0,0,0,0|1,0,0]=3 7636 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Cl 11a_100000210545_100000743183 [0,2,0,0,0,0|1,0,0]=3 7637 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Cl 1626a_100000210545_100000743183 [0,2,0,0,0,0|1,0,0]=3 7638 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100000210545_100000743183 [0,2,0,0,0,0|1,0,0]=3 7639 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)Cl 527a_100000210545_100000743183 [0,2,0,0,0,0|1,0,0]=3 7640 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)F 11a_100000210545_100000209822 [0,2,0,0,0,0|1,0,0]=3 7641 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)F 1626a_100000210545_100000209822 [0,2,0,0,0,0|1,0,0]=3 7642 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)F 240690a_100000210545_100000209822 [0,2,0,0,0,0|1,0,0]=3 7643 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)F 527a_100000210545_100000209822 [0,2,0,0,0,0|1,0,0]=3 7644 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)I 11a_100000210545_100000062624 [0,2,0,0,0,0|1,0,0]=3 7645 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)I 1626a_100000210545_100000062624 [0,2,0,0,0,0|1,0,0]=3 7646 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)I 240690a_100000210545_100000062624 [0,2,0,0,0,0|1,0,0]=3 7647 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)I 527a_100000210545_100000062624 [0,2,0,0,0,0|1,0,0]=3 7648 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)O 240690a_100000210545_100000185466 [0,2,0,0,0,0|1,0,0]=3 7649 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)F)O 527a_100000210545_100000185466 [0,2,0,0,0,0|1,0,0]=3 7650 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Br 11a_100000210545_100012343876 [0,2,0,0,0,0|1,0,0]=3 7651 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Br 1626a_100000210545_100012343876 [0,2,0,0,0,0|1,0,0]=3 7652 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Br 240690a_100000210545_100012343876 [0,2,0,0,0,0|1,0,0]=3 7653 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Br 527a_100000210545_100012343876 [0,2,0,0,0,0|1,0,0]=3 7654 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Cl 11a_100000210545_100000739381 [0,2,0,0,0,0|1,0,0]=3 7655 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Cl 1626a_100000210545_100000739381 [0,2,0,0,0,0|1,0,0]=3 7656 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100000210545_100000739381 [0,2,0,0,0,0|1,0,0]=3 7657 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)Cl 527a_100000210545_100000739381 [0,2,0,0,0,0|1,0,0]=3 7658 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)F 11a_100000210545_100000688015 [0,2,0,0,0,0|1,0,0]=3 7659 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)F 1626a_100000210545_100000688015 [0,2,0,0,0,0|1,0,0]=3 7660 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)F 240690a_100000210545_100000688015 [0,2,0,0,0,0|1,0,0]=3 7661 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)F 527a_100000210545_100000688015 [0,2,0,0,0,0|1,0,0]=3 7662 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)I 11a_100000210545_100000725830 [0,2,0,0,0,0|1,0,0]=3 7663 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)I 1626a_100000210545_100000725830 [0,2,0,0,0,0|1,0,0]=3 7664 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)I 240690a_100000210545_100000725830 [0,2,0,0,0,0|1,0,0]=3 7665 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)I 527a_100000210545_100000725830 [0,2,0,0,0,0|1,0,0]=3 7666 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)O 1626a_100000210545_100000037485 [0,2,0,0,0,0|1,0,0]=3 7667 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)I)O 240690a_100000210545_100000037485 [0,2,0,0,0,0|1,0,0]=3 7668 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)Br 240690a_100000210545_100000689001 [0,2,0,0,0,0|1,0,0]=3 7669 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)Br 527a_100000210545_100000689001 [0,2,0,0,0,0|1,0,0]=3 7670 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100000210545_100011933997 [0,2,0,0,0,0|1,0,0]=3 7671 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)Cl 527a_100000210545_100011933997 [0,2,0,0,0,0|1,0,0]=3 7672 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)F 240690a_100000210545_100000035894 [0,2,0,0,0,0|1,0,0]=3 7673 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)F 527a_100000210545_100000035894 [0,2,0,0,0,0|1,0,0]=3 7674 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)I 1626a_100000210545_100000239334 [0,2,0,0,0,0|1,0,0]=3 7675 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)I 240690a_100000210545_100000239334 [0,2,0,0,0,0|1,0,0]=3 7676 B16R1.1091 CC(C)CCNC(=O)c1ccc(c(c1)O)I 527a_100000210545_100000239334 [0,2,0,0,0,0|1,0,0]=3 7677 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210312 [0,2,0,0,0,0|1,0,1]=4 7678 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210626 [0,2,0,0,0,0|1,0,1]=4 7679 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210312 [0,2,0,0,0,0|1,0,1]=4 7680 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210626 [0,2,0,0,0,0|1,0,1]=4 7681 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210312 [0,2,0,0,0,0|1,0,1]=4 7682 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210626 [0,2,0,0,0,0|1,0,1]=4 7683 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210312 [0,2,0,0,0,0|1,0,1]=4 7684 B16R1.1091 CC(C)CCOC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210626 [0,2,0,0,0,0|1,0,1]=4 7685 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Br)F 2230a_100000210953_100011217175 [0,2,0,0,0,0|2,0,0]=4 7686 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Br)F 34a_100000210953_100011217175 [0,2,0,0,0,0|2,0,0]=4 7687 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_100000210953_200012349649 [0,2,0,0,0,0|2,0,0]=4 7688 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100000210953_200012349649 [0,2,0,0,0,0|2,0,0]=4 7689 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100000210953_100000211430 [0,2,0,0,0,0|2,0,0]=4 7690 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Cl)F 2230a_100000210953_100000757878 [0,2,0,0,0,0|2,0,0]=4 7691 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)Cl)F 34a_100000210953_100000757878 [0,2,0,0,0,0|2,0,0]=4 7692 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)Br 2230a_100000210953_100012361357 [0,2,0,0,0,0|2,0,0]=4 7693 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)Br 34a_100000210953_100012361357 [0,2,0,0,0,0|2,0,0]=4 7694 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)Cl 2230a_100000210953_100012351892 [0,2,0,0,0,0|2,0,0]=4 7695 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)Cl 34a_100000210953_100012351892 [0,2,0,0,0,0|2,0,0]=4 7696 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)F 2230a_100000210953_100000183380 [0,2,0,0,0,0|2,0,0]=4 7697 B16R1.1091 CC(C)CNCC(=O)c1ccc(c(c1)F)F 34a_100000210953_100000183380 [0,2,0,0,0,0|2,0,0]=4 7698 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Br)Br 22a_100000696102_100012339404 [0,2,0,0,0,0|2,0,0]=4 7699 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Br)Cl 22a_100000696102_100000691181 [0,2,0,0,0,0|2,0,0]=4 7700 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Br)F 22a_100000696102_100000760357 [0,2,0,0,0,0|2,0,0]=4 7701 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Br)I 22a_100000696102_100000739115 [0,2,0,0,0,0|2,0,0]=4 7702 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Br)O 22a_100000696102_100000189672 [0,2,0,0,0,0|2,0,0]=4 7703 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Cl)Br 22a_100000696102_100000687082 [0,2,0,0,0,0|2,0,0]=4 7704 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100000696102_100000210401 [0,2,0,0,0,0|2,0,0]=4 7705 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Cl)F 22a_100000696102_100000686462 [0,2,0,0,0,0|2,0,0]=4 7706 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Cl)I 22a_100000696102_100000684831 [0,2,0,0,0,0|2,0,0]=4 7707 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)Cl)O 22a_100000696102_100000212196 [0,2,0,0,0,0|2,0,0]=4 7708 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)F)Br 22a_100000696102_100000743946 [0,2,0,0,0,0|2,0,0]=4 7709 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)F)Cl 22a_100000696102_100000743183 [0,2,0,0,0,0|2,0,0]=4 7710 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)F)F 22a_100000696102_100000209822 [0,2,0,0,0,0|2,0,0]=4 7711 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)F)I 22a_100000696102_100000062624 [0,2,0,0,0,0|2,0,0]=4 7712 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)F)O 22a_100000696102_100000185466 [0,2,0,0,0,0|2,0,0]=4 7713 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)I)Br 22a_100000696102_100012343876 [0,2,0,0,0,0|2,0,0]=4 7714 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)I)Cl 22a_100000696102_100000739381 [0,2,0,0,0,0|2,0,0]=4 7715 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)I)F 22a_100000696102_100000688015 [0,2,0,0,0,0|2,0,0]=4 7716 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)I)I 22a_100000696102_100000725830 [0,2,0,0,0,0|2,0,0]=4 7717 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)I)O 22a_100000696102_100000037485 [0,2,0,0,0,0|2,0,0]=4 7718 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)O)Br 22a_100000696102_100000689001 [0,2,0,0,0,0|2,0,0]=4 7719 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)O)Cl 22a_100000696102_100011933997 [0,2,0,0,0,0|2,0,0]=4 7720 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)O)F 22a_100000696102_100000035894 [0,2,0,0,0,0|2,0,0]=4 7721 B16R1.1091 CC(C)CNNC(=O)c1ccc(c(c1)O)I 22a_100000696102_100000239334 [0,2,0,0,0,0|2,0,0]=4 7722 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)Br)F 34a_100000210257_100011217175 [0,2,0,0,0,0|2,0,0]=4 7723 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)Cl)Br 34a_100000210257_200012349649 [0,2,0,0,0,0|2,0,0]=4 7724 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_100000210760 [0,2,0,0,0,0|2,0,0]=4 7725 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)Cl)F 34a_100000210257_100000757878 [0,2,0,0,0,0|2,0,0]=4 7726 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)F)Br 34a_100000210257_100012361357 [0,2,0,0,0,0|2,0,0]=4 7727 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)F)Cl 34a_100000210257_100012351892 [0,2,0,0,0,0|2,0,0]=4 7728 B16R1.1091 CC(C)COCC(=O)c1ccc(c(c1)F)F 34a_100000210257_100000183380 [0,2,0,0,0,0|2,0,0]=4 7729 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Br)F 62a_100000210624_100011217175 [0,2,0,0,0,0|2,0,0]=4 7730 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_100000210760 [0,2,0,0,0,0|2,0,0]=4 7731 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)Br 62a_100000210624_200012349649 [0,2,0,0,0,0|2,0,0]=4 7732 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_100000210760 [0,2,0,0,0,0|2,0,0]=4 7733 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000210624_100000211430 [0,2,0,0,0,0|2,0,0]=4 7734 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_100000210760 [0,2,0,0,0,0|2,0,0]=4 7735 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)F 62a_100000210624_100000757878 [0,2,0,0,0,0|2,0,0]=4 7736 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_100000210760 [0,2,0,0,0,0|2,0,0]=4 7737 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)O 62a_100000210624_200010170092 [0,2,0,0,0,0|2,0,0]=4 7738 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210760 [0,2,0,0,0,0|2,0,0]=4 7739 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)Br 62a_100000210624_100012361357 [0,2,0,0,0,0|2,0,0]=4 7740 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_100000210760 [0,2,0,0,0,0|2,0,0]=4 7741 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)Cl 62a_100000210624_100012351892 [0,2,0,0,0,0|2,0,0]=4 7742 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_100000210760 [0,2,0,0,0,0|2,0,0]=4 7743 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)F 62a_100000183380_100000210760 [0,2,0,0,0,0|2,0,0]=4 7744 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)F)F 62a_100000210624_100000183380 [0,2,0,0,0,0|2,0,0]=4 7745 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)O)O 62a_100000210624_100000183813 [0,2,0,0,0,0|2,0,0]=4 7746 B16R1.1091 CC(C)NCCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100138425928_100012356702 [0,2,0,0,0,0|2,0,0]=4 7747 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000211751 [0,2,0,0,0,0|2,0,0]=4 7748 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000211751 [0,2,0,0,0,0|2,0,0]=4 7749 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000211751 [0,2,0,0,0,0|2,0,0]=4 7750 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000211751 [0,2,0,0,0,0|2,0,0]=4 7751 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000211751 [0,2,0,0,0,0|2,0,0]=4 7752 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000211751 [0,2,0,0,0,0|2,0,0]=4 7753 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000211751 [0,2,0,0,0,0|2,0,0]=4 7754 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000211751 [0,2,0,0,0,0|2,0,0]=4 7755 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000211751 [0,2,0,0,0,0|2,0,0]=4 7756 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211751 [0,2,0,0,0,0|2,0,0]=4 7757 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000211751 [0,2,0,0,0,0|2,0,0]=4 7758 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000211751 [0,2,0,0,0,0|2,0,0]=4 7759 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000211751 [0,2,0,0,0,0|2,0,0]=4 7760 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000211751 [0,2,0,0,0,0|2,0,0]=4 7761 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000211751 [0,2,0,0,0,0|2,0,0]=4 7762 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000211751 [0,2,0,0,0,0|2,0,0]=4 7763 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000211751 [0,2,0,0,0,0|2,0,0]=4 7764 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000211751 [0,2,0,0,0,0|2,0,0]=4 7765 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000211751 [0,2,0,0,0,0|2,0,0]=4 7766 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000211751 [0,2,0,0,0,0|2,0,0]=4 7767 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000211751 [0,2,0,0,0,0|2,0,0]=4 7768 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211751 [0,2,0,0,0,0|2,0,0]=4 7769 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000211751 [0,2,0,0,0,0|2,0,0]=4 7770 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000211751 [0,2,0,0,0,0|2,0,0]=4 7771 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000211751 [0,2,0,0,0,0|2,0,0]=4 7772 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000730970 [0,2,0,0,0,0|2,0,0]=4 7773 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000730970 [0,2,0,0,0,0|2,0,0]=4 7774 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000730970 [0,2,0,0,0,0|2,0,0]=4 7775 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000730970 [0,2,0,0,0,0|2,0,0]=4 7776 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000730970 [0,2,0,0,0,0|2,0,0]=4 7777 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000730970 [0,2,0,0,0,0|2,0,0]=4 7778 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000730970 [0,2,0,0,0,0|2,0,0]=4 7779 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000210206_100012356702 [0,2,0,0,0,0|2,0,0]=4 7780 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100012356702_100000210206 [0,2,0,0,0,0|2,0,0]=4 7781 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000730970 [0,2,0,0,0,0|2,0,0]=4 7782 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000730970 [0,2,0,0,0,0|2,0,0]=4 7783 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000730970 [0,2,0,0,0,0|2,0,0]=4 7784 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000730970 [0,2,0,0,0,0|2,0,0]=4 7785 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000730970 [0,2,0,0,0,0|2,0,0]=4 7786 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000730970 [0,2,0,0,0,0|2,0,0]=4 7787 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000730970 [0,2,0,0,0,0|2,0,0]=4 7788 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000730970 [0,2,0,0,0,0|2,0,0]=4 7789 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000730970 [0,2,0,0,0,0|2,0,0]=4 7790 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000730970 [0,2,0,0,0,0|2,0,0]=4 7791 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000730970 [0,2,0,0,0,0|2,0,0]=4 7792 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000730970 [0,2,0,0,0,0|2,0,0]=4 7793 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000730970 [0,2,0,0,0,0|2,0,0]=4 7794 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000730970 [0,2,0,0,0,0|2,0,0]=4 7795 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000730970 [0,2,0,0,0,0|2,0,0]=4 7796 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000730970 [0,2,0,0,0,0|2,0,0]=4 7797 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000730970 [0,2,0,0,0,0|2,0,0]=4 7798 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000730970 [0,2,0,0,0,0|2,0,0]=4 7799 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000718107 [0,2,0,0,0,0|2,0,0]=4 7800 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000718107 [0,2,0,0,0,0|2,0,0]=4 7801 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000718107 [0,2,0,0,0,0|2,0,0]=4 7802 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000718107 [0,2,0,0,0,0|2,0,0]=4 7803 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000718107 [0,2,0,0,0,0|2,0,0]=4 7804 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000718107 [0,2,0,0,0,0|2,0,0]=4 7805 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000718107 [0,2,0,0,0,0|2,0,0]=4 7806 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000718107 [0,2,0,0,0,0|2,0,0]=4 7807 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000718107 [0,2,0,0,0,0|2,0,0]=4 7808 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000718107 [0,2,0,0,0,0|2,0,0]=4 7809 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000718107 [0,2,0,0,0,0|2,0,0]=4 7810 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000718107 [0,2,0,0,0,0|2,0,0]=4 7811 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000718107 [0,2,0,0,0,0|2,0,0]=4 7812 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000718107 [0,2,0,0,0,0|2,0,0]=4 7813 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000718107 [0,2,0,0,0,0|2,0,0]=4 7814 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000718107 [0,2,0,0,0,0|2,0,0]=4 7815 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000718107 [0,2,0,0,0,0|2,0,0]=4 7816 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000718107 [0,2,0,0,0,0|2,0,0]=4 7817 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000718107 [0,2,0,0,0,0|2,0,0]=4 7818 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000718107 [0,2,0,0,0,0|2,0,0]=4 7819 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000718107 [0,2,0,0,0,0|2,0,0]=4 7820 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000718107 [0,2,0,0,0,0|2,0,0]=4 7821 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000718107 [0,2,0,0,0,0|2,0,0]=4 7822 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000718107 [0,2,0,0,0,0|2,0,0]=4 7823 B16R1.1091 CC(O)CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000718107 [0,2,0,0,0,0|2,0,0]=4 7824 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)Br 240690a_200000755665_100012339404 [0,2,0,0,0,0|2,0,0]=4 7825 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)Br 527a_200000755665_100012339404 [0,2,0,0,0,0|2,0,0]=4 7826 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_200000755665_100000691181 [0,2,0,0,0,0|2,0,0]=4 7827 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)Cl 527a_200000755665_100000691181 [0,2,0,0,0,0|2,0,0]=4 7828 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)F 240690a_200000755665_100000760357 [0,2,0,0,0,0|2,0,0]=4 7829 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)F 527a_200000755665_100000760357 [0,2,0,0,0,0|2,0,0]=4 7830 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)I 240690a_200000755665_100000739115 [0,2,0,0,0,0|2,0,0]=4 7831 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)I 527a_200000755665_100000739115 [0,2,0,0,0,0|2,0,0]=4 7832 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Br)O 240690a_200000755665_100000189672 [0,2,0,0,0,0|2,0,0]=4 7833 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_200000755665_100000687082 [0,2,0,0,0,0|2,0,0]=4 7834 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)Br 527a_200000755665_100000687082 [0,2,0,0,0,0|2,0,0]=4 7835 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_200000755665_100000210401 [0,2,0,0,0,0|2,0,0]=4 7836 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_200000755665_100000210401 [0,2,0,0,0,0|2,0,0]=4 7837 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)F 240690a_200000755665_100000686462 [0,2,0,0,0,0|2,0,0]=4 7838 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)F 527a_200000755665_100000686462 [0,2,0,0,0,0|2,0,0]=4 7839 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)I 240690a_200000755665_100000684831 [0,2,0,0,0,0|2,0,0]=4 7840 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)I 527a_200000755665_100000684831 [0,2,0,0,0,0|2,0,0]=4 7841 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)O 240690a_200000755665_100000212196 [0,2,0,0,0,0|2,0,0]=4 7842 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)Cl)O 527a_200000755665_100000212196 [0,2,0,0,0,0|2,0,0]=4 7843 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)Br 240690a_200000755665_100000743946 [0,2,0,0,0,0|2,0,0]=4 7844 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)Br 527a_200000755665_100000743946 [0,2,0,0,0,0|2,0,0]=4 7845 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)Cl 240690a_200000755665_100000743183 [0,2,0,0,0,0|2,0,0]=4 7846 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)Cl 527a_200000755665_100000743183 [0,2,0,0,0,0|2,0,0]=4 7847 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)F 240690a_200000755665_100000209822 [0,2,0,0,0,0|2,0,0]=4 7848 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)F 527a_200000755665_100000209822 [0,2,0,0,0,0|2,0,0]=4 7849 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)I 240690a_200000755665_100000062624 [0,2,0,0,0,0|2,0,0]=4 7850 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)I 527a_200000755665_100000062624 [0,2,0,0,0,0|2,0,0]=4 7851 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)O 240690a_200000755665_100000185466 [0,2,0,0,0,0|2,0,0]=4 7852 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)F)O 527a_200000755665_100000185466 [0,2,0,0,0,0|2,0,0]=4 7853 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)Br 240690a_200000755665_100012343876 [0,2,0,0,0,0|2,0,0]=4 7854 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)Br 527a_200000755665_100012343876 [0,2,0,0,0,0|2,0,0]=4 7855 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)Cl 240690a_200000755665_100000739381 [0,2,0,0,0,0|2,0,0]=4 7856 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)Cl 527a_200000755665_100000739381 [0,2,0,0,0,0|2,0,0]=4 7857 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)F 240690a_200000755665_100000688015 [0,2,0,0,0,0|2,0,0]=4 7858 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)F 527a_200000755665_100000688015 [0,2,0,0,0,0|2,0,0]=4 7859 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)I 240690a_200000755665_100000725830 [0,2,0,0,0,0|2,0,0]=4 7860 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)I 527a_200000755665_100000725830 [0,2,0,0,0,0|2,0,0]=4 7861 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)I)O 240690a_200000755665_100000037485 [0,2,0,0,0,0|2,0,0]=4 7862 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)Br 240690a_200000755665_100000689001 [0,2,0,0,0,0|2,0,0]=4 7863 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)Br 527a_200000755665_100000689001 [0,2,0,0,0,0|2,0,0]=4 7864 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)Cl 240690a_200000755665_100011933997 [0,2,0,0,0,0|2,0,0]=4 7865 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)Cl 527a_200000755665_100011933997 [0,2,0,0,0,0|2,0,0]=4 7866 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)F 240690a_200000755665_100000035894 [0,2,0,0,0,0|2,0,0]=4 7867 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)F 527a_200000755665_100000035894 [0,2,0,0,0,0|2,0,0]=4 7868 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)I 240690a_200000755665_100000239334 [0,2,0,0,0,0|2,0,0]=4 7869 B16R1.1091 CC(O)CCNC(=O)c1ccc(c(c1)O)I 527a_200000755665_100000239334 [0,2,0,0,0,0|2,0,0]=4 7870 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000695564 [0,2,0,0,0,0|2,0,0]=4 7871 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000695564 [0,2,0,0,0,0|2,0,0]=4 7872 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000695564 [0,2,0,0,0,0|2,0,0]=4 7873 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000695564 [0,2,0,0,0,0|2,0,0]=4 7874 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000695564 [0,2,0,0,0,0|2,0,0]=4 7875 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000695564 [0,2,0,0,0,0|2,0,0]=4 7876 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000695564 [0,2,0,0,0,0|2,0,0]=4 7877 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000695564 [0,2,0,0,0,0|2,0,0]=4 7878 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000695564 [0,2,0,0,0,0|2,0,0]=4 7879 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000695564 [0,2,0,0,0,0|2,0,0]=4 7880 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000695564 [0,2,0,0,0,0|2,0,0]=4 7881 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000695564 [0,2,0,0,0,0|2,0,0]=4 7882 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000695564 [0,2,0,0,0,0|2,0,0]=4 7883 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000695564 [0,2,0,0,0,0|2,0,0]=4 7884 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000695564 [0,2,0,0,0,0|2,0,0]=4 7885 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000695564 [0,2,0,0,0,0|2,0,0]=4 7886 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000695564 [0,2,0,0,0,0|2,0,0]=4 7887 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000695564 [0,2,0,0,0,0|2,0,0]=4 7888 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000695564 [0,2,0,0,0,0|2,0,0]=4 7889 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000695564 [0,2,0,0,0,0|2,0,0]=4 7890 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000695564 [0,2,0,0,0,0|2,0,0]=4 7891 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000695564 [0,2,0,0,0,0|2,0,0]=4 7892 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000695564 [0,2,0,0,0,0|2,0,0]=4 7893 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000695564 [0,2,0,0,0,0|2,0,0]=4 7894 B16R1.1091 CN(C)CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000695564 [0,2,0,0,0,0|2,0,0]=4 7895 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100000210585_100012339404 [0,2,0,0,0,0|2,0,0]=4 7896 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)Br 527a_100000210585_100012339404 [0,2,0,0,0,0|2,0,0]=4 7897 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100000210585_100000691181 [0,2,0,0,0,0|2,0,0]=4 7898 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100000210585_100000691181 [0,2,0,0,0,0|2,0,0]=4 7899 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)F 240690a_100000210585_100000760357 [0,2,0,0,0,0|2,0,0]=4 7900 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)F 527a_100000210585_100000760357 [0,2,0,0,0,0|2,0,0]=4 7901 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)I 240690a_100000210585_100000739115 [0,2,0,0,0,0|2,0,0]=4 7902 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)I 527a_100000210585_100000739115 [0,2,0,0,0,0|2,0,0]=4 7903 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Br)O 240690a_100000210585_100000189672 [0,2,0,0,0,0|2,0,0]=4 7904 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100000210585_100000687082 [0,2,0,0,0,0|2,0,0]=4 7905 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100000210585_100000687082 [0,2,0,0,0,0|2,0,0]=4 7906 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100000210585_100000210401 [0,2,0,0,0,0|2,0,0]=4 7907 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100000210585_100000210401 [0,2,0,0,0,0|2,0,0]=4 7908 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100000210585_100000686462 [0,2,0,0,0,0|2,0,0]=4 7909 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)F 527a_100000210585_100000686462 [0,2,0,0,0,0|2,0,0]=4 7910 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100000210585_100000684831 [0,2,0,0,0,0|2,0,0]=4 7911 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)I 527a_100000210585_100000684831 [0,2,0,0,0,0|2,0,0]=4 7912 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000210585_100000212196 [0,2,0,0,0,0|2,0,0]=4 7913 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)Cl)O 527a_100000210585_100000212196 [0,2,0,0,0,0|2,0,0]=4 7914 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)Br 240690a_100000210585_100000743946 [0,2,0,0,0,0|2,0,0]=4 7915 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)Br 527a_100000210585_100000743946 [0,2,0,0,0,0|2,0,0]=4 7916 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100000210585_100000743183 [0,2,0,0,0,0|2,0,0]=4 7917 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)Cl 527a_100000210585_100000743183 [0,2,0,0,0,0|2,0,0]=4 7918 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)F 240690a_100000210585_100000209822 [0,2,0,0,0,0|2,0,0]=4 7919 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)F 527a_100000210585_100000209822 [0,2,0,0,0,0|2,0,0]=4 7920 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)I 240690a_100000210585_100000062624 [0,2,0,0,0,0|2,0,0]=4 7921 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)I 527a_100000210585_100000062624 [0,2,0,0,0,0|2,0,0]=4 7922 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)O 240690a_100000210585_100000185466 [0,2,0,0,0,0|2,0,0]=4 7923 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)F)O 527a_100000210585_100000185466 [0,2,0,0,0,0|2,0,0]=4 7924 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)Br 240690a_100000210585_100012343876 [0,2,0,0,0,0|2,0,0]=4 7925 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)Br 527a_100000210585_100012343876 [0,2,0,0,0,0|2,0,0]=4 7926 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100000210585_100000739381 [0,2,0,0,0,0|2,0,0]=4 7927 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)Cl 527a_100000210585_100000739381 [0,2,0,0,0,0|2,0,0]=4 7928 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)F 240690a_100000210585_100000688015 [0,2,0,0,0,0|2,0,0]=4 7929 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)F 527a_100000210585_100000688015 [0,2,0,0,0,0|2,0,0]=4 7930 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)I 240690a_100000210585_100000725830 [0,2,0,0,0,0|2,0,0]=4 7931 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)I 527a_100000210585_100000725830 [0,2,0,0,0,0|2,0,0]=4 7932 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)I)O 240690a_100000210585_100000037485 [0,2,0,0,0,0|2,0,0]=4 7933 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)Br 240690a_100000210585_100000689001 [0,2,0,0,0,0|2,0,0]=4 7934 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)Br 527a_100000210585_100000689001 [0,2,0,0,0,0|2,0,0]=4 7935 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100000210585_100011933997 [0,2,0,0,0,0|2,0,0]=4 7936 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)Cl 527a_100000210585_100011933997 [0,2,0,0,0,0|2,0,0]=4 7937 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)F 240690a_100000210585_100000035894 [0,2,0,0,0,0|2,0,0]=4 7938 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)F 527a_100000210585_100000035894 [0,2,0,0,0,0|2,0,0]=4 7939 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)I 240690a_100000210585_100000239334 [0,2,0,0,0,0|2,0,0]=4 7940 B16R1.1091 CN(C)CCNC(=O)c1ccc(c(c1)O)I 527a_100000210585_100000239334 [0,2,0,0,0,0|2,0,0]=4 7941 B16R1.1091 Cc1cc(ccc1Br)C(=O)CCCC(C)C 1458a_100000692631_100011214892 [0,2,0,0,0,0|1,0,0]=3 7942 B16R1.1091 Cc1cc(ccc1Br)C(=O)CCCC(C)O 1458a_100000692631_200000718107 [0,2,0,0,0,0|2,0,0]=4 7943 B16R1.1091 Cc1cc(ccc1Br)C(=O)CCCN(C)C 1458a_100000692631_100000695564 [0,2,0,0,0,0|2,0,0]=4 7944 B16R1.1091 Cc1cc(ccc1Br)C(=O)CCOC(C)C 1458a_100000692631_100000211751 [0,2,0,0,0,0|2,0,0]=4 7945 B16R1.1091 Cc1cc(ccc1Br)C(=O)CCSC(C)C 1458a_100000692631_100000730970 [0,2,0,0,0,0|2,0,0]=4 7946 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)C 11a_100000210545_100000692631 [0,2,0,0,0,0|1,0,0]=3 7947 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)C 1626a_100000210545_100000692631 [0,2,0,0,0,0|1,0,0]=3 7948 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)C 240690a_100000210545_100000692631 [0,2,0,0,0,0|1,0,0]=3 7949 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)C 527a_100000210545_100000692631 [0,2,0,0,0,0|1,0,0]=3 7950 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)O 240690a_200000755665_100000692631 [0,2,0,0,0,0|2,0,0]=4 7951 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCC(C)O 527a_200000755665_100000692631 [0,2,0,0,0,0|2,0,0]=4 7952 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCN(C)C 240690a_100000210585_100000692631 [0,2,0,0,0,0|2,0,0]=4 7953 B16R1.1091 Cc1cc(ccc1Br)C(=O)NCCN(C)C 527a_100000210585_100000692631 [0,2,0,0,0,0|2,0,0]=4 7954 B16R1.1091 Cc1cc(ccc1Br)C(=O)NNCC(C)C 22a_100000696102_100000692631 [0,2,0,0,0,0|2,0,0]=4 7955 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CCCC(C)C 1458a_100000686306_100011214892 [0,2,0,0,0,0|1,0,0]=3 7956 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CCCC(C)O 1458a_100000686306_200000718107 [0,2,0,0,0,0|2,0,0]=4 7957 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CCCN(C)C 1458a_100000686306_100000695564 [0,2,0,0,0,0|2,0,0]=4 7958 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CCOC(C)C 1458a_100000686306_100000211751 [0,2,0,0,0,0|2,0,0]=4 7959 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CCSC(C)C 1458a_100000686306_100000730970 [0,2,0,0,0,0|2,0,0]=4 7960 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CSCC(C)C 62a_100000210624_200011216723 [0,2,0,0,0,0|2,0,0]=4 7961 B16R1.1091 Cc1cc(ccc1Cl)C(=O)CSCC(C)C 62a_200011216723_100000210760 [0,2,0,0,0,0|2,0,0]=4 7962 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)C 11a_100000210545_100000686306 [0,2,0,0,0,0|1,0,0]=3 7963 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)C 1626a_100000210545_100000686306 [0,2,0,0,0,0|1,0,0]=3 7964 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)C 240690a_100000210545_100000686306 [0,2,0,0,0,0|1,0,0]=3 7965 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)C 527a_100000210545_100000686306 [0,2,0,0,0,0|1,0,0]=3 7966 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)O 240690a_200000755665_100000686306 [0,2,0,0,0,0|2,0,0]=4 7967 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCC(C)O 527a_200000755665_100000686306 [0,2,0,0,0,0|2,0,0]=4 7968 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCN(C)C 240690a_100000210585_100000686306 [0,2,0,0,0,0|2,0,0]=4 7969 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NCCN(C)C 527a_100000210585_100000686306 [0,2,0,0,0,0|2,0,0]=4 7970 B16R1.1091 Cc1cc(ccc1Cl)C(=O)NNCC(C)C 22a_100000696102_100000686306 [0,2,0,0,0,0|2,0,0]=4 7971 B16R1.1091 Cc1cc(ccc1F)C(=O)CCCC(C)C 1458a_100000751819_100011214892 [0,2,0,0,0,0|1,0,0]=3 7972 B16R1.1091 Cc1cc(ccc1F)C(=O)CCCC(C)O 1458a_100000751819_200000718107 [0,2,0,0,0,0|2,0,0]=4 7973 B16R1.1091 Cc1cc(ccc1F)C(=O)CCCN(C)C 1458a_100000751819_100000695564 [0,2,0,0,0,0|2,0,0]=4 7974 B16R1.1091 Cc1cc(ccc1F)C(=O)CCOC(C)C 1458a_100000751819_100000211751 [0,2,0,0,0,0|2,0,0]=4 7975 B16R1.1091 Cc1cc(ccc1F)C(=O)CCSC(C)C 1458a_100000751819_100000730970 [0,2,0,0,0,0|2,0,0]=4 7976 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)C 11a_100000210545_100000751819 [0,2,0,0,0,0|1,0,0]=3 7977 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)C 1626a_100000210545_100000751819 [0,2,0,0,0,0|1,0,0]=3 7978 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)C 240690a_100000210545_100000751819 [0,2,0,0,0,0|1,0,0]=3 7979 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)C 527a_100000210545_100000751819 [0,2,0,0,0,0|1,0,0]=3 7980 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)O 240690a_200000755665_100000751819 [0,2,0,0,0,0|2,0,0]=4 7981 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCC(C)O 527a_200000755665_100000751819 [0,2,0,0,0,0|2,0,0]=4 7982 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCN(C)C 240690a_100000210585_100000751819 [0,2,0,0,0,0|2,0,0]=4 7983 B16R1.1091 Cc1cc(ccc1F)C(=O)NCCN(C)C 527a_100000210585_100000751819 [0,2,0,0,0,0|2,0,0]=4 7984 B16R1.1091 Cc1cc(ccc1F)C(=O)NNCC(C)C 22a_100000696102_100000751819 [0,2,0,0,0,0|2,0,0]=4 7985 B16R1.1091 Cc1cc(ccc1I)C(=O)CCCC(C)C 1458a_100000751300_100011214892 [0,2,0,0,0,0|1,0,0]=3 7986 B16R1.1091 Cc1cc(ccc1I)C(=O)CCCC(C)O 1458a_100000751300_200000718107 [0,2,0,0,0,0|2,0,0]=4 7987 B16R1.1091 Cc1cc(ccc1I)C(=O)CCCN(C)C 1458a_100000751300_100000695564 [0,2,0,0,0,0|2,0,0]=4 7988 B16R1.1091 Cc1cc(ccc1I)C(=O)CCOC(C)C 1458a_100000751300_100000211751 [0,2,0,0,0,0|2,0,0]=4 7989 B16R1.1091 Cc1cc(ccc1I)C(=O)CCSC(C)C 1458a_100000751300_100000730970 [0,2,0,0,0,0|2,0,0]=4 7990 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)C 11a_100000210545_100000751300 [0,2,0,0,0,0|1,0,0]=3 7991 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)C 1626a_100000210545_100000751300 [0,2,0,0,0,0|1,0,0]=3 7992 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)C 240690a_100000210545_100000751300 [0,2,0,0,0,0|1,0,0]=3 7993 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)C 527a_100000210545_100000751300 [0,2,0,0,0,0|1,0,0]=3 7994 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)O 240690a_200000755665_100000751300 [0,2,0,0,0,0|2,0,0]=4 7995 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCC(C)O 527a_200000755665_100000751300 [0,2,0,0,0,0|2,0,0]=4 7996 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCN(C)C 240690a_100000210585_100000751300 [0,2,0,0,0,0|2,0,0]=4 7997 B16R1.1091 Cc1cc(ccc1I)C(=O)NCCN(C)C 527a_100000210585_100000751300 [0,2,0,0,0,0|2,0,0]=4 7998 B16R1.1091 Cc1cc(ccc1I)C(=O)NNCC(C)C 22a_100000696102_100000751300 [0,2,0,0,0,0|2,0,0]=4 7999 B16R1.1091 Cc1cc(ccc1O)C(=O)CCCC(C)C 1458a_100000685612_100011214892 [0,2,0,0,0,0|1,0,0]=3 8000 B16R1.1091 Cc1cc(ccc1O)C(=O)CCCC(C)O 1458a_100000685612_200000718107 [0,2,0,0,0,0|2,0,0]=4 8001 B16R1.1091 Cc1cc(ccc1O)C(=O)CCCN(C)C 1458a_100000685612_100000695564 [0,2,0,0,0,0|2,0,0]=4 8002 B16R1.1091 Cc1cc(ccc1O)C(=O)CCOC(C)C 1458a_100000685612_100000211751 [0,2,0,0,0,0|2,0,0]=4 8003 B16R1.1091 Cc1cc(ccc1O)C(=O)CCSC(C)C 1458a_100000685612_100000730970 [0,2,0,0,0,0|2,0,0]=4 8004 B16R1.1091 Cc1cc(ccc1O)C(=O)NCCC(C)C 240690a_100000210545_100000685612 [0,2,0,0,0,0|1,0,0]=3 8005 B16R1.1091 Cc1cc(ccc1O)C(=O)NCCC(C)O 240690a_200000755665_100000685612 [0,2,0,0,0,0|2,0,0]=4 8006 B16R1.1091 Cc1cc(ccc1O)C(=O)NCCN(C)C 240690a_100000210585_100000685612 [0,2,0,0,0,0|2,0,0]=4 8007 B16R1.1091 Cc1cc(ccc1O)C(=O)NNCC(C)C 22a_100000696102_100000685612 [0,2,0,0,0,0|2,0,0]=4 8008 B16R1.1091 Cc1ccc(cc1Br)C(=O)CCCC(C)C 1458a_100000186397_100011214892 [0,2,0,0,0,0|1,0,0]=3 8009 B16R1.1091 Cc1ccc(cc1Br)C(=O)CCCC(C)O 1458a_100000186397_200000718107 [0,2,0,0,0,0|2,0,0]=4 8010 B16R1.1091 Cc1ccc(cc1Br)C(=O)CCCN(C)C 1458a_100000186397_100000695564 [0,2,0,0,0,0|2,0,0]=4 8011 B16R1.1091 Cc1ccc(cc1Br)C(=O)CCOC(C)C 1458a_100000186397_100000211751 [0,2,0,0,0,0|2,0,0]=4 8012 B16R1.1091 Cc1ccc(cc1Br)C(=O)CCSC(C)C 1458a_100000186397_100000730970 [0,2,0,0,0,0|2,0,0]=4 8013 B16R1.1091 Cc1ccc(cc1Br)C(=O)CNCC(C)C 2230a_100000210953_100012346676 [0,2,0,0,0,0|2,0,0]=4 8014 B16R1.1091 Cc1ccc(cc1Br)C(=O)CNCC(C)C 34a_100000210953_100012346676 [0,2,0,0,0,0|2,0,0]=4 8015 B16R1.1091 Cc1ccc(cc1Br)C(=O)COCC(C)C 34a_100000210257_100012346676 [0,2,0,0,0,0|2,0,0]=4 8016 B16R1.1091 Cc1ccc(cc1Br)C(=O)CSCC(C)C 62a_100000210624_100012346676 [0,2,0,0,0,0|2,0,0]=4 8017 B16R1.1091 Cc1ccc(cc1Br)C(=O)CSCC(C)C 62a_100012346676_100000210760 [0,2,0,0,0,0|2,0,0]=4 8018 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)C 11a_100000210545_100000186397 [0,2,0,0,0,0|1,0,0]=3 8019 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)C 1626a_100000210545_100000186397 [0,2,0,0,0,0|1,0,0]=3 8020 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)C 240690a_100000210545_100000186397 [0,2,0,0,0,0|1,0,0]=3 8021 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)C 527a_100000210545_100000186397 [0,2,0,0,0,0|1,0,0]=3 8022 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)O 240690a_200000755665_100000186397 [0,2,0,0,0,0|2,0,0]=4 8023 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCC(C)O 527a_200000755665_100000186397 [0,2,0,0,0,0|2,0,0]=4 8024 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCN(C)C 240690a_100000210585_100000186397 [0,2,0,0,0,0|2,0,0]=4 8025 B16R1.1091 Cc1ccc(cc1Br)C(=O)NCCN(C)C 527a_100000210585_100000186397 [0,2,0,0,0,0|2,0,0]=4 8026 B16R1.1091 Cc1ccc(cc1Br)C(=O)NNCC(C)C 22a_100000696102_100000186397 [0,2,0,0,0,0|2,0,0]=4 8027 B16R1.1091 Cc1ccc(cc1C)C(=O)CCCC(C)C 1458a_100000210898_100011214892 [0,2,0,0,0,0|1,0,0]=3 8028 B16R1.1091 Cc1ccc(cc1C)C(=O)CCCC(C)O 1458a_100000210898_200000718107 [0,2,0,0,0,0|2,0,0]=4 8029 B16R1.1091 Cc1ccc(cc1C)C(=O)CCCN(C)C 1458a_100000210898_100000695564 [0,2,0,0,0,0|2,0,0]=4 8030 B16R1.1091 Cc1ccc(cc1C)C(=O)CCOC(C)C 1458a_100000210898_100000211751 [0,2,0,0,0,0|2,0,0]=4 8031 B16R1.1091 Cc1ccc(cc1C)C(=O)CCSC(C)C 1458a_100000210898_100000730970 [0,2,0,0,0,0|2,0,0]=4 8032 B16R1.1091 Cc1ccc(cc1C)C(=O)CNCC(C)C 2230a_100000210953_100000183365 [0,2,0,0,0,0|2,0,0]=4 8033 B16R1.1091 Cc1ccc(cc1C)C(=O)CSCC(C)C 62a_100000183365_100000210760 [0,2,0,0,0,0|2,0,0]=4 8034 B16R1.1091 Cc1ccc(cc1C)C(=O)CSCC(C)C 62a_100000210624_100000183365 [0,2,0,0,0,0|2,0,0]=4 8035 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)C 11a_100000210545_100000210898 [0,2,0,0,0,0|1,0,0]=3 8036 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)C 1626a_100000210545_100000210898 [0,2,0,0,0,0|1,0,0]=3 8037 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)C 240690a_100000210545_100000210898 [0,2,0,0,0,0|1,0,0]=3 8038 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)C 527a_100000210545_100000210898 [0,2,0,0,0,0|1,0,0]=3 8039 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)O 240690a_200000755665_100000210898 [0,2,0,0,0,0|2,0,0]=4 8040 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCC(C)O 527a_200000755665_100000210898 [0,2,0,0,0,0|2,0,0]=4 8041 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCN(C)C 240690a_100000210585_100000210898 [0,2,0,0,0,0|2,0,0]=4 8042 B16R1.1091 Cc1ccc(cc1C)C(=O)NCCN(C)C 527a_100000210585_100000210898 [0,2,0,0,0,0|2,0,0]=4 8043 B16R1.1091 Cc1ccc(cc1C)C(=O)NNCC(C)C 22a_100000696102_100000210898 [0,2,0,0,0,0|2,0,0]=4 8044 B16R1.1091 Cc1ccc(cc1Cl)C(=O)CCCC(C)C 1458a_100000751740_100011214892 [0,2,0,0,0,0|1,0,0]=3 8045 B16R1.1091 Cc1ccc(cc1Cl)C(=O)CCCC(C)O 1458a_100000751740_200000718107 [0,2,0,0,0,0|2,0,0]=4 8046 B16R1.1091 Cc1ccc(cc1Cl)C(=O)CCCN(C)C 1458a_100000751740_100000695564 [0,2,0,0,0,0|2,0,0]=4 8047 B16R1.1091 Cc1ccc(cc1Cl)C(=O)CCOC(C)C 1458a_100000751740_100000211751 [0,2,0,0,0,0|2,0,0]=4 8048 B16R1.1091 Cc1ccc(cc1Cl)C(=O)CCSC(C)C 1458a_100000751740_100000730970 [0,2,0,0,0,0|2,0,0]=4 8049 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)C 11a_100000210545_100000751740 [0,2,0,0,0,0|1,0,0]=3 8050 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)C 1626a_100000210545_100000751740 [0,2,0,0,0,0|1,0,0]=3 8051 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)C 240690a_100000210545_100000751740 [0,2,0,0,0,0|1,0,0]=3 8052 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)C 527a_100000210545_100000751740 [0,2,0,0,0,0|1,0,0]=3 8053 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)O 240690a_200000755665_100000751740 [0,2,0,0,0,0|2,0,0]=4 8054 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCC(C)O 527a_200000755665_100000751740 [0,2,0,0,0,0|2,0,0]=4 8055 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCN(C)C 240690a_100000210585_100000751740 [0,2,0,0,0,0|2,0,0]=4 8056 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NCCN(C)C 527a_100000210585_100000751740 [0,2,0,0,0,0|2,0,0]=4 8057 B16R1.1091 Cc1ccc(cc1Cl)C(=O)NNCC(C)C 22a_100000696102_100000751740 [0,2,0,0,0,0|2,0,0]=4 8058 B16R1.1091 Cc1ccc(cc1F)C(=O)CCCC(C)C 1458a_100000212313_100011214892 [0,2,0,0,0,0|1,0,0]=3 8059 B16R1.1091 Cc1ccc(cc1F)C(=O)CCCC(C)O 1458a_100000212313_200000718107 [0,2,0,0,0,0|2,0,0]=4 8060 B16R1.1091 Cc1ccc(cc1F)C(=O)CCCN(C)C 1458a_100000212313_100000695564 [0,2,0,0,0,0|2,0,0]=4 8061 B16R1.1091 Cc1ccc(cc1F)C(=O)CCOC(C)C 1458a_100000212313_100000211751 [0,2,0,0,0,0|2,0,0]=4 8062 B16R1.1091 Cc1ccc(cc1F)C(=O)CCSC(C)C 1458a_100000212313_100000730970 [0,2,0,0,0,0|2,0,0]=4 8063 B16R1.1091 Cc1ccc(cc1F)C(=O)CNCC(C)C 2230a_100000210953_100011219196 [0,2,0,0,0,0|2,0,0]=4 8064 B16R1.1091 Cc1ccc(cc1F)C(=O)CNCC(C)C 34a_100000210953_100011219196 [0,2,0,0,0,0|2,0,0]=4 8065 B16R1.1091 Cc1ccc(cc1F)C(=O)COCC(C)C 34a_100000210257_100011219196 [0,2,0,0,0,0|2,0,0]=4 8066 B16R1.1091 Cc1ccc(cc1F)C(=O)CSCC(C)C 62a_100000210624_100011219196 [0,2,0,0,0,0|2,0,0]=4 8067 B16R1.1091 Cc1ccc(cc1F)C(=O)CSCC(C)C 62a_100011219196_100000210760 [0,2,0,0,0,0|2,0,0]=4 8068 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)C 11a_100000210545_100000212313 [0,2,0,0,0,0|1,0,0]=3 8069 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)C 1626a_100000210545_100000212313 [0,2,0,0,0,0|1,0,0]=3 8070 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)C 240690a_100000210545_100000212313 [0,2,0,0,0,0|1,0,0]=3 8071 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)C 527a_100000210545_100000212313 [0,2,0,0,0,0|1,0,0]=3 8072 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)O 240690a_200000755665_100000212313 [0,2,0,0,0,0|2,0,0]=4 8073 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCC(C)O 527a_200000755665_100000212313 [0,2,0,0,0,0|2,0,0]=4 8074 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCN(C)C 240690a_100000210585_100000212313 [0,2,0,0,0,0|2,0,0]=4 8075 B16R1.1091 Cc1ccc(cc1F)C(=O)NCCN(C)C 527a_100000210585_100000212313 [0,2,0,0,0,0|2,0,0]=4 8076 B16R1.1091 Cc1ccc(cc1F)C(=O)NNCC(C)C 22a_100000696102_100000212313 [0,2,0,0,0,0|2,0,0]=4 8077 B16R1.1091 Cc1ccc(cc1I)C(=O)CCCC(C)C 1458a_100000751299_100011214892 [0,2,0,0,0,0|1,0,0]=3 8078 B16R1.1091 Cc1ccc(cc1I)C(=O)CCCC(C)O 1458a_100000751299_200000718107 [0,2,0,0,0,0|2,0,0]=4 8079 B16R1.1091 Cc1ccc(cc1I)C(=O)CCCN(C)C 1458a_100000751299_100000695564 [0,2,0,0,0,0|2,0,0]=4 8080 B16R1.1091 Cc1ccc(cc1I)C(=O)CCOC(C)C 1458a_100000751299_100000211751 [0,2,0,0,0,0|2,0,0]=4 8081 B16R1.1091 Cc1ccc(cc1I)C(=O)CCSC(C)C 1458a_100000751299_100000730970 [0,2,0,0,0,0|2,0,0]=4 8082 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)C 11a_100000210545_100000751299 [0,2,0,0,0,0|1,0,0]=3 8083 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)C 1626a_100000210545_100000751299 [0,2,0,0,0,0|1,0,0]=3 8084 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)C 240690a_100000210545_100000751299 [0,2,0,0,0,0|1,0,0]=3 8085 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)C 527a_100000210545_100000751299 [0,2,0,0,0,0|1,0,0]=3 8086 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)O 240690a_200000755665_100000751299 [0,2,0,0,0,0|2,0,0]=4 8087 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCC(C)O 527a_200000755665_100000751299 [0,2,0,0,0,0|2,0,0]=4 8088 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCN(C)C 240690a_100000210585_100000751299 [0,2,0,0,0,0|2,0,0]=4 8089 B16R1.1091 Cc1ccc(cc1I)C(=O)NCCN(C)C 527a_100000210585_100000751299 [0,2,0,0,0,0|2,0,0]=4 8090 B16R1.1091 Cc1ccc(cc1I)C(=O)NNCC(C)C 22a_100000696102_100000751299 [0,2,0,0,0,0|2,0,0]=4 8091 B16R1.1091 Cc1ccc(cc1O)C(=O)CCCC(C)C 1458a_100000233767_100011214892 [0,2,0,0,0,0|1,0,0]=3 8092 B16R1.1091 Cc1ccc(cc1O)C(=O)CCCC(C)O 1458a_100000233767_200000718107 [0,2,0,0,0,0|2,0,0]=4 8093 B16R1.1091 Cc1ccc(cc1O)C(=O)CCCN(C)C 1458a_100000233767_100000695564 [0,2,0,0,0,0|2,0,0]=4 8094 B16R1.1091 Cc1ccc(cc1O)C(=O)CCOC(C)C 1458a_100000233767_100000211751 [0,2,0,0,0,0|2,0,0]=4 8095 B16R1.1091 Cc1ccc(cc1O)C(=O)CCSC(C)C 1458a_100000233767_100000730970 [0,2,0,0,0,0|2,0,0]=4 8096 B16R1.1091 Cc1ccc(cc1O)C(=O)NCCC(C)C 240690a_100000210545_100000233767 [0,2,0,0,0,0|1,0,0]=3 8097 B16R1.1091 Cc1ccc(cc1O)C(=O)NCCC(C)O 240690a_200000755665_100000233767 [0,2,0,0,0,0|2,0,0]=4 8098 B16R1.1091 Cc1ccc(cc1O)C(=O)NCCN(C)C 240690a_100000210585_100000233767 [0,2,0,0,0,0|2,0,0]=4 8099 B16R1.1091 Cc1ccc(cc1O)C(=O)NNCC(C)C 22a_100000696102_100000233767 [0,2,0,0,0,0|2,0,0]=4 8100 B16R1.1142 CC(CF)OCCC(=O)c1ccc(cc1)Br 7a_100016041109_100011215963 [0,2,0,0,0,0|2,0,0]=4 8101 B16R1.1142 CC(CF)OCCC(=O)c1ccc(cc1)Cl 7a_100016041109_100011216492 [0,2,0,0,0,0|2,0,0]=4 8102 B16R1.1142 CC(CF)OCCC(=O)c1ccc(cc1)F 7a_100016041109_100000211231 [0,2,0,0,0,0|2,0,0]=4 8103 B16R1.1142 CC(CF)OCCC(=O)c1ccc(cc1)O 7a_100016041109_100009879949 [0,2,0,0,0,0|2,0,0]=4 8104 B16R1.1142 CC(CN)COCC(=O)c1ccc(cc1)Br 34a_100000744482_100000188085 [0,2,0,0,0,0|2,0,0]=4 8105 B16R1.1142 CC(CN)COCC(=O)c1ccc(cc1)I 34a_100000744482_100011216261 [0,2,0,0,0,0|2,0,0]=4 8106 B16R1.1142 CC(CN)COCC(=O)c1ccc(cc1)O 34a_100000744482_100009814261 [0,2,0,0,0,0|2,0,0]=4 8107 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)Br 240690a_106354213184_100000185839 [0,2,0,0,0,0|1,0,0]=3 8108 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)Br 527a_106354213184_100000185839 [0,2,0,0,0,0|1,0,0]=3 8109 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)Cl 240690a_106354213184_100000210187 [0,2,0,0,0,0|1,0,0]=3 8110 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)Cl 527a_106354213184_100000210187 [0,2,0,0,0,0|1,0,0]=3 8111 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)F 240690a_106354213184_100000187176 [0,2,0,0,0,0|1,0,0]=3 8112 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)F 527a_106354213184_100000187176 [0,2,0,0,0,0|1,0,0]=3 8113 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)I 240690a_106354213184_100000187904 [0,2,0,0,0,0|1,0,0]=3 8114 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)I 527a_106354213184_100000187904 [0,2,0,0,0,0|1,0,0]=3 8115 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)O 240690a_106354213184_100000212099 [0,2,0,0,0,0|1,0,0]=3 8116 B16R1.1142 CC(CO)CCNC(=O)c1ccc(cc1)O 527a_106354213184_100000212099 [0,2,0,0,0,0|1,0,0]=3 8117 B16R1.1142 CC(CO)CNCC(=O)c1ccc(cc1)Br 34a_100000744482_100000188085 [0,2,0,0,0,0|2,0,0]=4 8118 B16R1.1142 CC(CO)CNCC(=O)c1ccc(cc1)I 34a_100000744482_100011216261 [0,2,0,0,0,0|2,0,0]=4 8119 B16R1.1142 CC(CO)CNCC(=O)c1ccc(cc1)O 34a_100000744482_100009814261 [0,2,0,0,0,0|2,0,0]=4 8120 B16R1.1142 CC(CO)SCCC(=O)c1ccc(cc1)Br 62a_100012180447_100011215963 [0,2,0,0,0,0|2,0,0]=4 8121 B16R1.1142 CC(CO)SCCC(=O)c1ccc(cc1)Cl 62a_100012180447_100011216492 [0,2,0,0,0,0|2,0,0]=4 8122 B16R1.1142 CC(CO)SCCC(=O)c1ccc(cc1)F 62a_100012180447_100000211231 [0,2,0,0,0,0|2,0,0]=4 8123 B16R1.1142 CC(CO)SCCC(=O)c1ccc(cc1)O 62a_100012180447_100009879949 [0,2,0,0,0,0|2,0,0]=4 8124 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Br 11a_100020591266_100000185839 [0,2,0,0,0,0|1,0,0]=3 8125 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Br 1626a_100020591266_100000185839 [0,2,0,0,0,0|1,0,0]=3 8126 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Br 240690a_100020591266_100000185839 [0,2,0,0,0,0|1,0,0]=3 8127 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Br 527a_100020591266_100000185839 [0,2,0,0,0,0|1,0,0]=3 8128 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)C 11a_100020591266_100000188618 [0,2,0,0,0,0|1,0,0]=3 8129 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)C 1626a_100020591266_100000188618 [0,2,0,0,0,0|1,0,0]=3 8130 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)C 240690a_100020591266_100000188618 [0,2,0,0,0,0|1,0,0]=3 8131 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)C 527a_100020591266_100000188618 [0,2,0,0,0,0|1,0,0]=3 8132 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Cl 11a_100020591266_100000210187 [0,2,0,0,0,0|1,0,0]=3 8133 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Cl 1626a_100020591266_100000210187 [0,2,0,0,0,0|1,0,0]=3 8134 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Cl 240690a_100020591266_100000210187 [0,2,0,0,0,0|1,0,0]=3 8135 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)Cl 527a_100020591266_100000210187 [0,2,0,0,0,0|1,0,0]=3 8136 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)F 11a_100020591266_100000187176 [0,2,0,0,0,0|1,0,0]=3 8137 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)F 1626a_100020591266_100000187176 [0,2,0,0,0,0|1,0,0]=3 8138 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)F 240690a_100020591266_100000187176 [0,2,0,0,0,0|1,0,0]=3 8139 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)F 527a_100020591266_100000187176 [0,2,0,0,0,0|1,0,0]=3 8140 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)I 11a_100020591266_100000187904 [0,2,0,0,0,0|1,0,0]=3 8141 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)I 1626a_100020591266_100000187904 [0,2,0,0,0,0|1,0,0]=3 8142 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)I 240690a_100020591266_100000187904 [0,2,0,0,0,0|1,0,0]=3 8143 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)I 527a_100020591266_100000187904 [0,2,0,0,0,0|1,0,0]=3 8144 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)O 240690a_100020591266_100000212099 [0,2,0,0,0,0|1,0,0]=3 8145 B16R1.1142 CCC(C)CCNC(=O)c1ccc(cc1)O 527a_100020591266_100000212099 [0,2,0,0,0,0|1,0,0]=3 8146 B16R1.1142 CCC(C)CCOC(C)c1ccc(cc1)C 7a_100011215188_100011261388 [0,2,0,0,0,0|1,0,1]=4 8147 B16R1.1142 CCC(C)CCOC(C)c1ccc(cc1)Cl 7a_100011215188_100000684792 [0,2,0,0,0,0|1,0,1]=4 8148 B16R1.1142 CCC(C)CCOC(C)c1ccc(cc1)F 7a_100011215188_100000743420 [0,2,0,0,0,0|1,0,1]=4 8149 B16R1.1142 CCC(C)CNCC(=O)c1ccc(cc1)C 2230a_100020588543_100000211441 [0,2,0,0,0,0|2,0,0]=4 8150 B16R1.1142 CCC(C)COCC(=O)c1ccc(cc1)F 34a_100000246311_100000748023 [0,2,0,0,0,0|2,0,0]=4 8151 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000748023 [0,2,0,0,0,0|2,0,0]=4 8152 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)C 62a_100000211441_100000748023 [0,2,0,0,0,0|2,0,0]=4 8153 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)C 62a_100000748023_100000211441 [0,2,0,0,0,0|2,0,0]=4 8154 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000748023 [0,2,0,0,0,0|2,0,0]=4 8155 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000748023_100000211071 [0,2,0,0,0,0|2,0,0]=4 8156 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100000748023 [0,2,0,0,0,0|2,0,0]=4 8157 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)F 62a_100000748023_100000211279 [0,2,0,0,0,0|2,0,0]=4 8158 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)I 62a_100000748023_100011216261 [0,2,0,0,0,0|2,0,0]=4 8159 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100000748023 [0,2,0,0,0,0|2,0,0]=4 8160 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)O 62a_100000748023_100009814261 [0,2,0,0,0,0|2,0,0]=4 8161 B16R1.1142 CCC(C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100000748023 [0,2,0,0,0,0|2,0,0]=4 8162 B16R1.1142 CCC(C)NCCC(=O)c1ccc(cc1)C 2230a_100000209981_100000701375 [0,2,0,0,0,0|2,0,0]=4 8163 B16R1.1142 CCC(C)NCCC(=O)c1ccc(cc1)F 2230a_100000209981_100000211231 [0,2,0,0,0,0|2,0,0]=4 8164 B16R1.1142 CCC(C)NCCC(=O)c1ccc(cc1)O 2230a_100000209981_100009879949 [0,2,0,0,0,0|2,0,0]=4 8165 B16R1.1142 CCC(C)OCCC(=O)c1ccc(cc1)Br 7a_100000210228_100011215963 [0,2,0,0,0,0|2,0,0]=4 8166 B16R1.1142 CCC(C)OCCC(=O)c1ccc(cc1)C 7a_100000210228_100000701375 [0,2,0,0,0,0|2,0,0]=4 8167 B16R1.1142 CCC(C)OCCC(=O)c1ccc(cc1)Cl 7a_100000210228_100011216492 [0,2,0,0,0,0|2,0,0]=4 8168 B16R1.1142 CCC(C)OCCC(=O)c1ccc(cc1)F 7a_100000210228_100000211231 [0,2,0,0,0,0|2,0,0]=4 8169 B16R1.1142 CCC(C)OCCC(=O)c1ccc(cc1)O 7a_100000210228_100009879949 [0,2,0,0,0,0|2,0,0]=4 8170 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)Br 62a_100000758301_100011215963 [0,2,0,0,0,0|2,0,0]=4 8171 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000758301 [0,2,0,0,0,0|2,0,0]=4 8172 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)C 62a_100000701375_100000758301 [0,2,0,0,0,0|2,0,0]=4 8173 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)C 62a_100000758301_100000701375 [0,2,0,0,0,0|2,0,0]=4 8174 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100000758301_100011216492 [0,2,0,0,0,0|2,0,0]=4 8175 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000758301 [0,2,0,0,0,0|2,0,0]=4 8176 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100000758301 [0,2,0,0,0,0|2,0,0]=4 8177 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)F 62a_100000758301_100000211231 [0,2,0,0,0,0|2,0,0]=4 8178 B16R1.1142 CCC(C)SCCC(=O)c1ccc(cc1)O 62a_100000758301_100009879949 [0,2,0,0,0,0|2,0,0]=4 8179 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100015186262 [0,2,0,0,0,0|2,0,0]=4 8180 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)Br 2230a_100000225621_100000211046 [0,2,0,0,0,0|2,0,0]=4 8181 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)Br 269982a_100000225621_100000211046 [0,2,0,0,0,0|2,0,0]=4 8182 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100015186262 [0,2,0,0,0,0|2,0,0]=4 8183 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100015186262 [0,2,0,0,0,0|2,0,0]=4 8184 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)Cl 269982a_100000225621_200011217871 [0,2,0,0,0,0|2,0,0]=4 8185 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100015186262 [0,2,0,0,0,0|2,0,0]=4 8186 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)F 2230a_100000225621_100000211961 [0,2,0,0,0,0|2,0,0]=4 8187 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)F 269982a_100000225621_100000211961 [0,2,0,0,0,0|2,0,0]=4 8188 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100015186262 [0,2,0,0,0,0|2,0,0]=4 8189 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100015186262 [0,2,0,0,0,0|2,0,0]=4 8190 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)O 2230a_100000225621_100000039620 [0,2,0,0,0,0|2,0,0]=4 8191 B16R1.1142 CCN(C)CCCC(=O)c1ccc(cc1)O 269982a_100000225621_100000039620 [0,2,0,0,0,0|2,0,0]=4 8192 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)Br 7a_100009816381_100000188085 [0,2,0,0,0,0|2,0,0]=4 8193 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)C 7a_100009816381_100000211441 [0,2,0,0,0,0|2,0,0]=4 8194 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)Cl 7a_100009816381_100000211071 [0,2,0,0,0,0|2,0,0]=4 8195 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)F 34a_100000246311_100009816398 [0,2,0,0,0,0|2,0,0]=4 8196 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)F 7a_100009816381_100000211279 [0,2,0,0,0,0|2,0,0]=4 8197 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)I 7a_100009816381_100011216261 [0,2,0,0,0,0|2,0,0]=4 8198 B16R1.1142 CC[C@H](C)COCC(=O)c1ccc(cc1)O 7a_100009816381_100000018856 [0,2,0,0,0,0|2,0,0]=4 8199 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100009816398 [0,2,0,0,0,0|2,0,0]=4 8200 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)C 62a_100000211441_100009816398 [0,2,0,0,0,0|2,0,0]=4 8201 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)C 62a_100009816398_100000211441 [0,2,0,0,0,0|2,0,0]=4 8202 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100009816398 [0,2,0,0,0,0|2,0,0]=4 8203 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)Cl 62a_100009816398_100000211071 [0,2,0,0,0,0|2,0,0]=4 8204 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100009816398 [0,2,0,0,0,0|2,0,0]=4 8205 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)F 62a_100009816398_100000211279 [0,2,0,0,0,0|2,0,0]=4 8206 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)I 62a_100009816398_100011216261 [0,2,0,0,0,0|2,0,0]=4 8207 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100009816398 [0,2,0,0,0,0|2,0,0]=4 8208 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100009816398 [0,2,0,0,0,0|2,0,0]=4 8209 B16R1.1142 CC[C@H](C)CSCC(=O)c1ccc(cc1)O 62a_100009816398_100009814261 [0,2,0,0,0,0|2,0,0]=4 8210 B16R1.1142 COC(C)CCOC(C)c1ccc(cc1)C 7a_100000764861_100011261388 [0,2,0,0,0,0|1,0,1]=4 8211 B16R1.1142 COC(C)CCOC(C)c1ccc(cc1)Cl 7a_100000764861_100000684792 [0,2,0,0,0,0|1,0,1]=4 8212 B16R1.1142 COC(C)CCOC(C)c1ccc(cc1)F 7a_100000764861_100000743420 [0,2,0,0,0,0|1,0,1]=4 8213 B16R1.1142 COC(C)COCC(=O)c1ccc(cc1)Br 34a_100000690652_100000188085 [0,2,0,0,0,0|2,0,0]=4 8214 B16R1.1142 COC(C)COCC(=O)c1ccc(cc1)C 34a_100000690652_100000211441 [0,2,0,0,0,0|2,0,0]=4 8215 B16R1.1142 COC(C)COCC(=O)c1ccc(cc1)I 34a_100000690652_100011216261 [0,2,0,0,0,0|2,0,0]=4 8216 B16R1.1142 COC(C)COCC(=O)c1ccc(cc1)O 34a_100000690652_100009814261 [0,2,0,0,0,0|2,0,0]=4 8217 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)Br 62a_100009879195_100011215963 [0,2,0,0,0,0|2,0,0]=4 8218 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100009879195 [0,2,0,0,0,0|2,0,0]=4 8219 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)C 62a_100000701375_100009879195 [0,2,0,0,0,0|2,0,0]=4 8220 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)C 62a_100009879195_100000701375 [0,2,0,0,0,0|2,0,0]=4 8221 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100009879195_100011216492 [0,2,0,0,0,0|2,0,0]=4 8222 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100009879195 [0,2,0,0,0,0|2,0,0]=4 8223 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100009879195 [0,2,0,0,0,0|2,0,0]=4 8224 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)F 62a_100009879195_100000211231 [0,2,0,0,0,0|2,0,0]=4 8225 B16R1.1142 COC(C)SCCC(=O)c1ccc(cc1)O 62a_100009879195_100009879949 [0,2,0,0,0,0|2,0,0]=4 8226 B16R1.1142 CO[C@H](C)CNCC(=O)c1ccc(cc1)C 2230a_100020591295_100000211441 [0,2,0,0,0,0|2,0,0]=4 8227 B16R1.1142 C[C@@H](CO)COCC(=O)c1ccc(cc1)F 34a_100000246311_100000059175 [0,2,0,0,0,0|2,0,0]=4 8228 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000059175 [0,2,0,0,0,0|2,0,0]=4 8229 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)Cl 62a_100000059175_100000211071 [0,2,0,0,0,0|2,0,0]=4 8230 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000059175 [0,2,0,0,0,0|2,0,0]=4 8231 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)F 62a_100000059175_100000211279 [0,2,0,0,0,0|2,0,0]=4 8232 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100000059175 [0,2,0,0,0,0|2,0,0]=4 8233 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)I 62a_100000059175_100011216261 [0,2,0,0,0,0|2,0,0]=4 8234 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100000059175 [0,2,0,0,0,0|2,0,0]=4 8235 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)O 62a_100000059175_100009814261 [0,2,0,0,0,0|2,0,0]=4 8236 B16R1.1142 C[C@@H](CO)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100000059175 [0,2,0,0,0,0|2,0,0]=4 8237 B16R1.1142 C[C@H](CO)NCCC(=O)c1ccc(cc1)F 2230a_100000737577_100000211231 [0,2,0,0,0,0|2,0,0]=4 8238 B16R1.1142 C[C@H](CO)NCCC(=O)c1ccc(cc1)O 2230a_100000737577_100009879949 [0,2,0,0,0,0|2,0,0]=4 8239 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100016084084 [0,2,0,0,0,0|2,0,0]=4 8240 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)Br 62a_100016084084_100011215963 [0,2,0,0,0,0|2,0,0]=4 8241 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100016084084 [0,2,0,0,0,0|2,0,0]=4 8242 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)Cl 62a_100016084084_100011216492 [0,2,0,0,0,0|2,0,0]=4 8243 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100016084084 [0,2,0,0,0,0|2,0,0]=4 8244 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)F 62a_100016084084_100000211231 [0,2,0,0,0,0|2,0,0]=4 8245 B16R1.1142 C[C@H](CO)SCCC(=O)c1ccc(cc1)O 62a_100016084084_100009879949 [0,2,0,0,0,0|2,0,0]=4 8246 B16R1.1142 Cc1ccc(cc1)C(=O)CCN[C@H](C)CO 2230a_100000737577_100000701375 [0,2,0,0,0,0|2,0,0]=4 8247 B16R1.1142 Cc1ccc(cc1)C(=O)CCOC(C)CF 7a_100016041109_100000701375 [0,2,0,0,0,0|2,0,0]=4 8248 B16R1.1142 Cc1ccc(cc1)C(=O)CCSC(C)CO 62a_100012180447_100000701375 [0,2,0,0,0,0|2,0,0]=4 8249 B16R1.1142 Cc1ccc(cc1)C(=O)CCS[C@H](C)CO 62a_100000701375_100016084084 [0,2,0,0,0,0|2,0,0]=4 8250 B16R1.1142 Cc1ccc(cc1)C(=O)CCS[C@H](C)CO 62a_100016084084_100000701375 [0,2,0,0,0,0|2,0,0]=4 8251 B16R1.1142 Cc1ccc(cc1)C(=O)CNCC(C)CO 34a_100000744482_100000211441 [0,2,0,0,0,0|2,0,0]=4 8252 B16R1.1142 Cc1ccc(cc1)C(=O)COCC(C)CN 34a_100000744482_100000211441 [0,2,0,0,0,0|2,0,0]=4 8253 B16R1.1142 Cc1ccc(cc1)C(=O)CSC[C@@H](C)CO 62a_100000059175_100000211441 [0,2,0,0,0,0|2,0,0]=4 8254 B16R1.1142 Cc1ccc(cc1)C(=O)CSC[C@@H](C)CO 62a_100000211441_100000059175 [0,2,0,0,0,0|2,0,0]=4 8255 B16R1.1142 Cc1ccc(cc1)C(=O)NCCC(C)CO 240690a_106354213184_100000188618 [0,2,0,0,0,0|1,0,0]=3 8256 B16R1.1142 Cc1ccc(cc1)C(=O)NCCC(C)CO 527a_106354213184_100000188618 [0,2,0,0,0,0|1,0,0]=3 8257 B16R1.6618 C#CC(OCCC(C)C)c1ccc(cc1)Cl 34a_100011470666_100000210312 [0,2,0,0,0,0|1,0,1]=4 8258 B16R1.6618 C#CC(OCCC(C)C)c1ccc(cc1)Cl 7a_100011470666_100000210626 [0,2,0,0,0,0|1,0,1]=4 8259 B16R1.6618 CC(C)CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210312 [0,2,0,0,0,0|1,0,1]=4 8260 B16R1.6618 CC(C)CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210626 [0,2,0,0,0,0|1,0,1]=4 8261 B16R1.6618 CC(C)CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210312 [0,2,0,0,0,0|1,0,1]=4 8262 B16R1.6618 CC(C)CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210312 [0,2,0,0,0,0|1,0,1]=4 8263 B16R1.6618 CC(C)CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210312 [0,2,0,0,0,0|1,0,1]=4 8264 B16R1.6618 CC(C)CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210626 [0,2,0,0,0,0|1,0,1]=4 8265 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)Br 34a_100000246506_100000210312 [0,2,0,0,0,0|1,0,1]=4 8266 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)Br 7a_100000246506_100000210626 [0,2,0,0,0,0|1,0,1]=4 8267 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)C 34a_100000246521_100000210312 [0,2,0,0,0,0|1,0,1]=4 8268 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)C 7a_100000246521_100000210626 [0,2,0,0,0,0|1,0,1]=4 8269 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)Cl 34a_100000246471_100000210312 [0,2,0,0,0,0|1,0,1]=4 8270 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)Cl 7a_100000246471_100000210626 [0,2,0,0,0,0|1,0,1]=4 8271 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)F 34a_100000246474_100000210312 [0,2,0,0,0,0|1,0,1]=4 8272 B16R1.6618 CCC(OCCC(C)C)c1ccc(cc1)F 7a_100000246474_100000210626 [0,2,0,0,0,0|1,0,1]=4 8273 B16R1.6618 Cc1ccc(cc1)[C@H](C#N)OCCC(C)C 34a_200009814964_100000210312 [0,2,0,0,0,0|1,0,1]=4 8274 B16R1.6618 Cc1ccc(cc1)[C@H](C#N)OCCC(C)C 7a_200009814964_100000210626 [0,2,0,0,0,0|1,0,1]=4 8275 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100011214892 [0,2,0,0,0,0|1,0,0]=3 8276 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100011214892 [0,2,0,0,0,0|1,0,0]=3 8277 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100011214892 [0,2,0,0,0,0|1,0,0]=3 8278 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100011214892 [0,2,0,0,0,0|1,0,0]=3 8279 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100011214892 [0,2,0,0,0,0|1,0,0]=3 8280 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100011214892 [0,2,0,0,0,0|1,0,0]=3 8281 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100011214892 [0,2,0,0,0,0|1,0,0]=3 8282 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100011214892 [0,2,0,0,0,0|1,0,0]=3 8283 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100011214892 [0,2,0,0,0,0|1,0,0]=3 8284 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100011214892 [0,2,0,0,0,0|1,0,0]=3 8285 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100011214892 [0,2,0,0,0,0|1,0,0]=3 8286 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100011214892 [0,2,0,0,0,0|1,0,0]=3 8287 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100011214892 [0,2,0,0,0,0|1,0,0]=3 8288 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100011214892 [0,2,0,0,0,0|1,0,0]=3 8289 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100011214892 [0,2,0,0,0,0|1,0,0]=3 8290 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100011214892 [0,2,0,0,0,0|1,0,0]=3 8291 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100011214892 [0,2,0,0,0,0|1,0,0]=3 8292 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100011214892 [0,2,0,0,0,0|1,0,0]=3 8293 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100011214892 [0,2,0,0,0,0|1,0,0]=3 8294 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100011214892 [0,2,0,0,0,0|1,0,0]=3 8295 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100011214892 [0,2,0,0,0,0|1,0,0]=3 8296 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100011214892 [0,2,0,0,0,0|1,0,0]=3 8297 B16R1.11442 CC(C)CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100011214892 [0,2,0,0,0,0|1,0,0]=3 8298 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Br 11a_100000210545_100000762965 [0,2,0,0,0,0|1,0,0]=3 8299 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Br 1626a_100000210545_100000762965 [0,2,0,0,0,0|1,0,0]=3 8300 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Br 240690a_100000210545_100000762965 [0,2,0,0,0,0|1,0,0]=3 8301 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Br 527a_100000210545_100000762965 [0,2,0,0,0,0|1,0,0]=3 8302 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Cl 11a_100000210545_100000766353 [0,2,0,0,0,0|1,0,0]=3 8303 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Cl 1626a_100000210545_100000766353 [0,2,0,0,0,0|1,0,0]=3 8304 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Cl 240690a_100000210545_100000766353 [0,2,0,0,0,0|1,0,0]=3 8305 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)Cl 527a_100000210545_100000766353 [0,2,0,0,0,0|1,0,0]=3 8306 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)F 11a_100000210545_100000212304 [0,2,0,0,0,0|1,0,0]=3 8307 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)F 1626a_100000210545_100000212304 [0,2,0,0,0,0|1,0,0]=3 8308 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)F 240690a_100000210545_100000212304 [0,2,0,0,0,0|1,0,0]=3 8309 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)F 527a_100000210545_100000212304 [0,2,0,0,0,0|1,0,0]=3 8310 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)I 11a_100000210545_100012360512 [0,2,0,0,0,0|1,0,0]=3 8311 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)I 1626a_100000210545_100012360512 [0,2,0,0,0,0|1,0,0]=3 8312 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)I 240690a_100000210545_100012360512 [0,2,0,0,0,0|1,0,0]=3 8313 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)I 527a_100000210545_100012360512 [0,2,0,0,0,0|1,0,0]=3 8314 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)O 240690a_100000210545_100012344906 [0,2,0,0,0,0|1,0,0]=3 8315 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Br)O 527a_100000210545_100012344906 [0,2,0,0,0,0|1,0,0]=3 8316 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Br 11a_100000210545_100000741628 [0,2,0,0,0,0|1,0,0]=3 8317 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Br 1626a_100000210545_100000741628 [0,2,0,0,0,0|1,0,0]=3 8318 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Br 240690a_100000210545_100000741628 [0,2,0,0,0,0|1,0,0]=3 8319 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Br 527a_100000210545_100000741628 [0,2,0,0,0,0|1,0,0]=3 8320 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Cl 11a_100000210545_100000185840 [0,2,0,0,0,0|1,0,0]=3 8321 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Cl 1626a_100000210545_100000185840 [0,2,0,0,0,0|1,0,0]=3 8322 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Cl 240690a_100000210545_100000185840 [0,2,0,0,0,0|1,0,0]=3 8323 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)Cl 527a_100000210545_100000185840 [0,2,0,0,0,0|1,0,0]=3 8324 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)F 11a_100000210545_100000211397 [0,2,0,0,0,0|1,0,0]=3 8325 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)F 1626a_100000210545_100000211397 [0,2,0,0,0,0|1,0,0]=3 8326 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)F 240690a_100000210545_100000211397 [0,2,0,0,0,0|1,0,0]=3 8327 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)F 527a_100000210545_100000211397 [0,2,0,0,0,0|1,0,0]=3 8328 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)I 11a_100000210545_100000751301 [0,2,0,0,0,0|1,0,0]=3 8329 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)I 1626a_100000210545_100000751301 [0,2,0,0,0,0|1,0,0]=3 8330 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)I 240690a_100000210545_100000751301 [0,2,0,0,0,0|1,0,0]=3 8331 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)I 527a_100000210545_100000751301 [0,2,0,0,0,0|1,0,0]=3 8332 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)O 240690a_100000210545_100000702456 [0,2,0,0,0,0|1,0,0]=3 8333 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1Cl)O 527a_100000210545_100000702456 [0,2,0,0,0,0|1,0,0]=3 8334 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Br 11a_100000210545_100000214689 [0,2,0,0,0,0|1,0,0]=3 8335 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Br 1626a_100000210545_100000214689 [0,2,0,0,0,0|1,0,0]=3 8336 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Br 240690a_100000210545_100000214689 [0,2,0,0,0,0|1,0,0]=3 8337 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Br 527a_100000210545_100000214689 [0,2,0,0,0,0|1,0,0]=3 8338 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Cl 11a_100000210545_100000212326 [0,2,0,0,0,0|1,0,0]=3 8339 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Cl 1626a_100000210545_100000212326 [0,2,0,0,0,0|1,0,0]=3 8340 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Cl 240690a_100000210545_100000212326 [0,2,0,0,0,0|1,0,0]=3 8341 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)Cl 527a_100000210545_100000212326 [0,2,0,0,0,0|1,0,0]=3 8342 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)F 11a_100000210545_100000211022 [0,2,0,0,0,0|1,0,0]=3 8343 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)F 1626a_100000210545_100000211022 [0,2,0,0,0,0|1,0,0]=3 8344 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)F 240690a_100000210545_100000211022 [0,2,0,0,0,0|1,0,0]=3 8345 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)F 527a_100000210545_100000211022 [0,2,0,0,0,0|1,0,0]=3 8346 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)I 11a_100000210545_100000037189 [0,2,0,0,0,0|1,0,0]=3 8347 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)I 1626a_100000210545_100000037189 [0,2,0,0,0,0|1,0,0]=3 8348 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)I 240690a_100000210545_100000037189 [0,2,0,0,0,0|1,0,0]=3 8349 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)I 527a_100000210545_100000037189 [0,2,0,0,0,0|1,0,0]=3 8350 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)O 240690a_100000210545_100000689029 [0,2,0,0,0,0|1,0,0]=3 8351 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1F)O 527a_100000210545_100000689029 [0,2,0,0,0,0|1,0,0]=3 8352 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Br 11a_100000210545_100000751167 [0,2,0,0,0,0|1,0,0]=3 8353 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Br 1626a_100000210545_100000751167 [0,2,0,0,0,0|1,0,0]=3 8354 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Br 240690a_100000210545_100000751167 [0,2,0,0,0,0|1,0,0]=3 8355 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Br 527a_100000210545_100000751167 [0,2,0,0,0,0|1,0,0]=3 8356 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Cl 11a_100000210545_100000739380 [0,2,0,0,0,0|1,0,0]=3 8357 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Cl 1626a_100000210545_100000739380 [0,2,0,0,0,0|1,0,0]=3 8358 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Cl 240690a_100000210545_100000739380 [0,2,0,0,0,0|1,0,0]=3 8359 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)Cl 527a_100000210545_100000739380 [0,2,0,0,0,0|1,0,0]=3 8360 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)F 11a_100000210545_100000739341 [0,2,0,0,0,0|1,0,0]=3 8361 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)F 1626a_100000210545_100000739341 [0,2,0,0,0,0|1,0,0]=3 8362 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)F 240690a_100000210545_100000739341 [0,2,0,0,0,0|1,0,0]=3 8363 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1I)F 527a_100000210545_100000739341 [0,2,0,0,0,0|1,0,0]=3 8364 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)Br 240690a_100000210545_100000744433 [0,2,0,0,0,0|1,0,0]=3 8365 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)Br 527a_100000210545_100000744433 [0,2,0,0,0,0|1,0,0]=3 8366 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)Cl 11a_100000210545_100000188622 [0,2,0,0,0,0|1,0,0]=3 8367 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)Cl 240690a_100000210545_100000188622 [0,2,0,0,0,0|1,0,0]=3 8368 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)Cl 527a_100000210545_100000188622 [0,2,0,0,0,0|1,0,0]=3 8369 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)F 240690a_100000210545_100000746061 [0,2,0,0,0,0|1,0,0]=3 8370 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)F 527a_100000210545_100000746061 [0,2,0,0,0,0|1,0,0]=3 8371 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)I 240690a_100000210545_100000091984 [0,2,0,0,0,0|1,0,0]=3 8372 B16R1.11442 CC(C)CCNC(=O)c1ccc(cc1O)I 527a_100000210545_100000091984 [0,2,0,0,0,0|1,0,0]=3 8373 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210312 [0,2,0,0,0,0|1,0,1]=4 8374 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210626 [0,2,0,0,0,0|1,0,1]=4 8375 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210312 [0,2,0,0,0,0|1,0,1]=4 8376 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210626 [0,2,0,0,0,0|1,0,1]=4 8377 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210312 [0,2,0,0,0,0|1,0,1]=4 8378 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210626 [0,2,0,0,0,0|1,0,1]=4 8379 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210312 [0,2,0,0,0,0|1,0,1]=4 8380 B16R1.11442 CC(C)CCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210626 [0,2,0,0,0,0|1,0,1]=4 8381 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1Br)F 34a_100000210953_100012361341 [0,2,0,0,0,0|2,0,0]=4 8382 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1Cl)Cl 2230a_100000210953_100011218845 [0,2,0,0,0,0|2,0,0]=4 8383 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1Cl)F 2230a_100000210953_100012056422 [0,2,0,0,0,0|2,0,0]=4 8384 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1Cl)F 34a_100000210953_100012056422 [0,2,0,0,0,0|2,0,0]=4 8385 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1F)Br 34a_100000210953_200012361339 [0,2,0,0,0,0|2,0,0]=4 8386 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1F)Cl 34a_100000210953_100012351891 [0,2,0,0,0,0|2,0,0]=4 8387 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1F)F 34a_100000210953_100000229962 [0,2,0,0,0,0|2,0,0]=4 8388 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1O)F 34a_100000210953_100009817053 [0,2,0,0,0,0|2,0,0]=4 8389 B16R1.11442 CC(C)CNCC(=O)c1ccc(cc1O)O 34a_100000210953_100009814262 [0,2,0,0,0,0|2,0,0]=4 8390 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Br)Br 22a_100000696102_100000762965 [0,2,0,0,0,0|2,0,0]=4 8391 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Br)Cl 22a_100000696102_100000766353 [0,2,0,0,0,0|2,0,0]=4 8392 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Br)F 22a_100000696102_100000212304 [0,2,0,0,0,0|2,0,0]=4 8393 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Br)I 22a_100000696102_100012360512 [0,2,0,0,0,0|2,0,0]=4 8394 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Br)O 22a_100000696102_100012344906 [0,2,0,0,0,0|2,0,0]=4 8395 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Cl)Br 22a_100000696102_100000741628 [0,2,0,0,0,0|2,0,0]=4 8396 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Cl)Cl 22a_100000696102_100000185840 [0,2,0,0,0,0|2,0,0]=4 8397 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Cl)F 22a_100000696102_100000211397 [0,2,0,0,0,0|2,0,0]=4 8398 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Cl)I 22a_100000696102_100000751301 [0,2,0,0,0,0|2,0,0]=4 8399 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1Cl)O 22a_100000696102_100000702456 [0,2,0,0,0,0|2,0,0]=4 8400 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1F)Br 22a_100000696102_100000214689 [0,2,0,0,0,0|2,0,0]=4 8401 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1F)Cl 22a_100000696102_100000212326 [0,2,0,0,0,0|2,0,0]=4 8402 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1F)F 22a_100000696102_100000211022 [0,2,0,0,0,0|2,0,0]=4 8403 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1F)I 22a_100000696102_100000037189 [0,2,0,0,0,0|2,0,0]=4 8404 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1F)O 22a_100000696102_100000689029 [0,2,0,0,0,0|2,0,0]=4 8405 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1I)Br 22a_100000696102_100000751167 [0,2,0,0,0,0|2,0,0]=4 8406 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1I)Cl 22a_100000696102_100000739380 [0,2,0,0,0,0|2,0,0]=4 8407 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1I)F 22a_100000696102_100000739341 [0,2,0,0,0,0|2,0,0]=4 8408 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1O)Br 22a_100000696102_100000744433 [0,2,0,0,0,0|2,0,0]=4 8409 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1O)Cl 22a_100000696102_100000188622 [0,2,0,0,0,0|2,0,0]=4 8410 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1O)F 22a_100000696102_100000746061 [0,2,0,0,0,0|2,0,0]=4 8411 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1O)I 22a_100000696102_100000091984 [0,2,0,0,0,0|2,0,0]=4 8412 B16R1.11442 CC(C)CNNC(=O)c1ccc(cc1O)O 22a_100000696102_100000212172 [0,2,0,0,0,0|2,0,0]=4 8413 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1Br)F 34a_100000210257_100012361341 [0,2,0,0,0,0|2,0,0]=4 8414 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1Cl)F 34a_100000210257_100012056422 [0,2,0,0,0,0|2,0,0]=4 8415 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1F)Br 34a_100000210257_200012361339 [0,2,0,0,0,0|2,0,0]=4 8416 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1F)Cl 34a_100000210257_100012351891 [0,2,0,0,0,0|2,0,0]=4 8417 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1F)F 34a_100000210257_100000229962 [0,2,0,0,0,0|2,0,0]=4 8418 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1O)F 34a_100000210257_100009817053 [0,2,0,0,0,0|2,0,0]=4 8419 B16R1.11442 CC(C)COCC(=O)c1ccc(cc1O)O 34a_100000210257_100009814262 [0,2,0,0,0,0|2,0,0]=4 8420 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1Br)F 62a_100012361341_100000210760 [0,2,0,0,0,0|2,0,0]=4 8421 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_100000210760 [0,2,0,0,0,0|2,0,0]=4 8422 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1Cl)F 62a_100000210624_100012056422 [0,2,0,0,0,0|2,0,0]=4 8423 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1Cl)F 62a_100012056422_100000210760 [0,2,0,0,0,0|2,0,0]=4 8424 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1F)Br 62a_200012361339_100000210760 [0,2,0,0,0,0|2,0,0]=4 8425 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1F)Cl 62a_100000210624_100012351891 [0,2,0,0,0,0|2,0,0]=4 8426 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1F)Cl 62a_100012351891_100000210760 [0,2,0,0,0,0|2,0,0]=4 8427 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1F)F 62a_100000210624_100000229962 [0,2,0,0,0,0|2,0,0]=4 8428 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1F)F 62a_100000229962_100000210760 [0,2,0,0,0,0|2,0,0]=4 8429 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1O)F 62a_100000210624_100009817053 [0,2,0,0,0,0|2,0,0]=4 8430 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1O)F 62a_100009817053_100000210760 [0,2,0,0,0,0|2,0,0]=4 8431 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1O)O 62a_100000210624_100009814262 [0,2,0,0,0,0|2,0,0]=4 8432 B16R1.11442 CC(C)CSCC(=O)c1ccc(cc1O)O 62a_100009814262_100000210760 [0,2,0,0,0,0|2,0,0]=4 8433 B16R1.11442 CC(C)NCCC(=O)c1ccc(cc1F)Br 2230a_100138425928_100010339771 [0,2,0,0,0,0|2,0,0]=4 8434 B16R1.11442 CC(C)NCCC(=O)c1ccc(cc1F)Br 34a_100138425928_100010339771 [0,2,0,0,0,0|2,0,0]=4 8435 B16R1.11442 CC(C)NCOC(=O)c1ccc(cc1Cl)Cl 2230a_100138425928_100010978946 [0,2,0,0,0,0|1,0,0]=3 8436 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000211751 [0,2,0,0,0,0|2,0,0]=4 8437 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000211751 [0,2,0,0,0,0|2,0,0]=4 8438 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000211751 [0,2,0,0,0,0|2,0,0]=4 8439 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000211751 [0,2,0,0,0,0|2,0,0]=4 8440 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000211751 [0,2,0,0,0,0|2,0,0]=4 8441 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000211751 [0,2,0,0,0,0|2,0,0]=4 8442 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000211751 [0,2,0,0,0,0|2,0,0]=4 8443 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000211751 [0,2,0,0,0,0|2,0,0]=4 8444 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000211751 [0,2,0,0,0,0|2,0,0]=4 8445 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000211751 [0,2,0,0,0,0|2,0,0]=4 8446 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000211751 [0,2,0,0,0,0|2,0,0]=4 8447 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)Br 34a_100000212225_100010339771 [0,2,0,0,0,0|2,0,0]=4 8448 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000211751 [0,2,0,0,0,0|2,0,0]=4 8449 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000211751 [0,2,0,0,0,0|2,0,0]=4 8450 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000211751 [0,2,0,0,0,0|2,0,0]=4 8451 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000211751 [0,2,0,0,0,0|2,0,0]=4 8452 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000211751 [0,2,0,0,0,0|2,0,0]=4 8453 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000211751 [0,2,0,0,0,0|2,0,0]=4 8454 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000211751 [0,2,0,0,0,0|2,0,0]=4 8455 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000211751 [0,2,0,0,0,0|2,0,0]=4 8456 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000211751 [0,2,0,0,0,0|2,0,0]=4 8457 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000211751 [0,2,0,0,0,0|2,0,0]=4 8458 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000211751 [0,2,0,0,0,0|2,0,0]=4 8459 B16R1.11442 CC(C)OCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000211751 [0,2,0,0,0,0|2,0,0]=4 8460 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000730970 [0,2,0,0,0,0|2,0,0]=4 8461 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000730970 [0,2,0,0,0,0|2,0,0]=4 8462 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000730970 [0,2,0,0,0,0|2,0,0]=4 8463 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000730970 [0,2,0,0,0,0|2,0,0]=4 8464 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000730970 [0,2,0,0,0,0|2,0,0]=4 8465 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000730970 [0,2,0,0,0,0|2,0,0]=4 8466 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000730970 [0,2,0,0,0,0|2,0,0]=4 8467 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000730970 [0,2,0,0,0,0|2,0,0]=4 8468 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000730970 [0,2,0,0,0,0|2,0,0]=4 8469 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000730970 [0,2,0,0,0,0|2,0,0]=4 8470 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000730970 [0,2,0,0,0,0|2,0,0]=4 8471 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)Br 62a_100000210206_100010339771 [0,2,0,0,0,0|2,0,0]=4 8472 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)Br 62a_100010339771_100000210206 [0,2,0,0,0,0|2,0,0]=4 8473 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000730970 [0,2,0,0,0,0|2,0,0]=4 8474 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000730970 [0,2,0,0,0,0|2,0,0]=4 8475 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000730970 [0,2,0,0,0,0|2,0,0]=4 8476 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000730970 [0,2,0,0,0,0|2,0,0]=4 8477 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000730970 [0,2,0,0,0,0|2,0,0]=4 8478 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000730970 [0,2,0,0,0,0|2,0,0]=4 8479 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000730970 [0,2,0,0,0,0|2,0,0]=4 8480 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000730970 [0,2,0,0,0,0|2,0,0]=4 8481 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000730970 [0,2,0,0,0,0|2,0,0]=4 8482 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000730970 [0,2,0,0,0,0|2,0,0]=4 8483 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000730970 [0,2,0,0,0,0|2,0,0]=4 8484 B16R1.11442 CC(C)SCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000730970 [0,2,0,0,0,0|2,0,0]=4 8485 B16R1.11442 CC(C)SCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_100000210206 [0,2,0,0,0,0|1,0,0]=3 8486 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000718107 [0,2,0,0,0,0|2,0,0]=4 8487 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000718107 [0,2,0,0,0,0|2,0,0]=4 8488 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000718107 [0,2,0,0,0,0|2,0,0]=4 8489 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000718107 [0,2,0,0,0,0|2,0,0]=4 8490 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000718107 [0,2,0,0,0,0|2,0,0]=4 8491 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000718107 [0,2,0,0,0,0|2,0,0]=4 8492 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000718107 [0,2,0,0,0,0|2,0,0]=4 8493 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000718107 [0,2,0,0,0,0|2,0,0]=4 8494 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000718107 [0,2,0,0,0,0|2,0,0]=4 8495 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000718107 [0,2,0,0,0,0|2,0,0]=4 8496 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000718107 [0,2,0,0,0,0|2,0,0]=4 8497 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000718107 [0,2,0,0,0,0|2,0,0]=4 8498 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1F)F 1458a_100000211022_200000718107 [0,2,0,0,0,0|2,0,0]=4 8499 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1F)I 1458a_100000037189_200000718107 [0,2,0,0,0,0|2,0,0]=4 8500 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_200000718107 [0,2,0,0,0,0|2,0,0]=4 8501 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000718107 [0,2,0,0,0,0|2,0,0]=4 8502 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000718107 [0,2,0,0,0,0|2,0,0]=4 8503 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1I)F 1458a_100000739341_200000718107 [0,2,0,0,0,0|2,0,0]=4 8504 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000718107 [0,2,0,0,0,0|2,0,0]=4 8505 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000718107 [0,2,0,0,0,0|2,0,0]=4 8506 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_200000718107 [0,2,0,0,0,0|2,0,0]=4 8507 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_200000718107 [0,2,0,0,0,0|2,0,0]=4 8508 B16R1.11442 CC(O)CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_200000718107 [0,2,0,0,0,0|2,0,0]=4 8509 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)Br 240690a_200000755665_100000762965 [0,2,0,0,0,0|2,0,0]=4 8510 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)Br 527a_200000755665_100000762965 [0,2,0,0,0,0|2,0,0]=4 8511 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)Cl 240690a_200000755665_100000766353 [0,2,0,0,0,0|2,0,0]=4 8512 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)Cl 527a_200000755665_100000766353 [0,2,0,0,0,0|2,0,0]=4 8513 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)F 240690a_200000755665_100000212304 [0,2,0,0,0,0|2,0,0]=4 8514 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)F 527a_200000755665_100000212304 [0,2,0,0,0,0|2,0,0]=4 8515 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)I 240690a_200000755665_100012360512 [0,2,0,0,0,0|2,0,0]=4 8516 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)I 527a_200000755665_100012360512 [0,2,0,0,0,0|2,0,0]=4 8517 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)O 240690a_200000755665_100012344906 [0,2,0,0,0,0|2,0,0]=4 8518 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Br)O 527a_200000755665_100012344906 [0,2,0,0,0,0|2,0,0]=4 8519 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)Br 240690a_200000755665_100000741628 [0,2,0,0,0,0|2,0,0]=4 8520 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)Br 527a_200000755665_100000741628 [0,2,0,0,0,0|2,0,0]=4 8521 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)Cl 240690a_200000755665_100000185840 [0,2,0,0,0,0|2,0,0]=4 8522 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)Cl 527a_200000755665_100000185840 [0,2,0,0,0,0|2,0,0]=4 8523 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)F 240690a_200000755665_100000211397 [0,2,0,0,0,0|2,0,0]=4 8524 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)F 527a_200000755665_100000211397 [0,2,0,0,0,0|2,0,0]=4 8525 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)I 240690a_200000755665_100000751301 [0,2,0,0,0,0|2,0,0]=4 8526 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)I 527a_200000755665_100000751301 [0,2,0,0,0,0|2,0,0]=4 8527 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)O 240690a_200000755665_100000702456 [0,2,0,0,0,0|2,0,0]=4 8528 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1Cl)O 527a_200000755665_100000702456 [0,2,0,0,0,0|2,0,0]=4 8529 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)Br 240690a_200000755665_100000214689 [0,2,0,0,0,0|2,0,0]=4 8530 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)Br 527a_200000755665_100000214689 [0,2,0,0,0,0|2,0,0]=4 8531 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)Cl 240690a_200000755665_100000212326 [0,2,0,0,0,0|2,0,0]=4 8532 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)Cl 527a_200000755665_100000212326 [0,2,0,0,0,0|2,0,0]=4 8533 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)F 240690a_200000755665_100000211022 [0,2,0,0,0,0|2,0,0]=4 8534 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)F 527a_200000755665_100000211022 [0,2,0,0,0,0|2,0,0]=4 8535 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)I 240690a_200000755665_100000037189 [0,2,0,0,0,0|2,0,0]=4 8536 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)I 527a_200000755665_100000037189 [0,2,0,0,0,0|2,0,0]=4 8537 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)O 240690a_200000755665_100000689029 [0,2,0,0,0,0|2,0,0]=4 8538 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1F)O 527a_200000755665_100000689029 [0,2,0,0,0,0|2,0,0]=4 8539 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)Br 240690a_200000755665_100000751167 [0,2,0,0,0,0|2,0,0]=4 8540 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)Br 527a_200000755665_100000751167 [0,2,0,0,0,0|2,0,0]=4 8541 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)Cl 240690a_200000755665_100000739380 [0,2,0,0,0,0|2,0,0]=4 8542 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)Cl 527a_200000755665_100000739380 [0,2,0,0,0,0|2,0,0]=4 8543 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)F 240690a_200000755665_100000739341 [0,2,0,0,0,0|2,0,0]=4 8544 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1I)F 527a_200000755665_100000739341 [0,2,0,0,0,0|2,0,0]=4 8545 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)Br 240690a_200000755665_100000744433 [0,2,0,0,0,0|2,0,0]=4 8546 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)Br 527a_200000755665_100000744433 [0,2,0,0,0,0|2,0,0]=4 8547 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)Cl 240690a_200000755665_100000188622 [0,2,0,0,0,0|2,0,0]=4 8548 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)Cl 527a_200000755665_100000188622 [0,2,0,0,0,0|2,0,0]=4 8549 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)F 240690a_200000755665_100000746061 [0,2,0,0,0,0|2,0,0]=4 8550 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)F 527a_200000755665_100000746061 [0,2,0,0,0,0|2,0,0]=4 8551 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)I 240690a_200000755665_100000091984 [0,2,0,0,0,0|2,0,0]=4 8552 B16R1.11442 CC(O)CCNC(=O)c1ccc(cc1O)I 527a_200000755665_100000091984 [0,2,0,0,0,0|2,0,0]=4 8553 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000695564 [0,2,0,0,0,0|2,0,0]=4 8554 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000695564 [0,2,0,0,0,0|2,0,0]=4 8555 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000695564 [0,2,0,0,0,0|2,0,0]=4 8556 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000695564 [0,2,0,0,0,0|2,0,0]=4 8557 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000695564 [0,2,0,0,0,0|2,0,0]=4 8558 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000695564 [0,2,0,0,0,0|2,0,0]=4 8559 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000695564 [0,2,0,0,0,0|2,0,0]=4 8560 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000695564 [0,2,0,0,0,0|2,0,0]=4 8561 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000695564 [0,2,0,0,0,0|2,0,0]=4 8562 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000695564 [0,2,0,0,0,0|2,0,0]=4 8563 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000695564 [0,2,0,0,0,0|2,0,0]=4 8564 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000695564 [0,2,0,0,0,0|2,0,0]=4 8565 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000695564 [0,2,0,0,0,0|2,0,0]=4 8566 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)F 269982a_100102631434_100012405562 [0,2,0,0,0,0|2,0,0]=4 8567 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000695564 [0,2,0,0,0,0|2,0,0]=4 8568 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000695564 [0,2,0,0,0,0|2,0,0]=4 8569 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000695564 [0,2,0,0,0,0|2,0,0]=4 8570 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000695564 [0,2,0,0,0,0|2,0,0]=4 8571 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000695564 [0,2,0,0,0,0|2,0,0]=4 8572 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000695564 [0,2,0,0,0,0|2,0,0]=4 8573 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000695564 [0,2,0,0,0,0|2,0,0]=4 8574 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000695564 [0,2,0,0,0,0|2,0,0]=4 8575 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000695564 [0,2,0,0,0,0|2,0,0]=4 8576 B16R1.11442 CN(C)CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000695564 [0,2,0,0,0,0|2,0,0]=4 8577 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)Br 240690a_100000210585_100000762965 [0,2,0,0,0,0|2,0,0]=4 8578 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)Br 527a_100000210585_100000762965 [0,2,0,0,0,0|2,0,0]=4 8579 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)Cl 240690a_100000210585_100000766353 [0,2,0,0,0,0|2,0,0]=4 8580 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)Cl 527a_100000210585_100000766353 [0,2,0,0,0,0|2,0,0]=4 8581 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)F 240690a_100000210585_100000212304 [0,2,0,0,0,0|2,0,0]=4 8582 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)F 527a_100000210585_100000212304 [0,2,0,0,0,0|2,0,0]=4 8583 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)I 240690a_100000210585_100012360512 [0,2,0,0,0,0|2,0,0]=4 8584 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)I 527a_100000210585_100012360512 [0,2,0,0,0,0|2,0,0]=4 8585 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)O 240690a_100000210585_100012344906 [0,2,0,0,0,0|2,0,0]=4 8586 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Br)O 527a_100000210585_100012344906 [0,2,0,0,0,0|2,0,0]=4 8587 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)Br 240690a_100000210585_100000741628 [0,2,0,0,0,0|2,0,0]=4 8588 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)Br 527a_100000210585_100000741628 [0,2,0,0,0,0|2,0,0]=4 8589 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)Cl 240690a_100000210585_100000185840 [0,2,0,0,0,0|2,0,0]=4 8590 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)Cl 527a_100000210585_100000185840 [0,2,0,0,0,0|2,0,0]=4 8591 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)F 240690a_100000210585_100000211397 [0,2,0,0,0,0|2,0,0]=4 8592 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)F 527a_100000210585_100000211397 [0,2,0,0,0,0|2,0,0]=4 8593 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)I 240690a_100000210585_100000751301 [0,2,0,0,0,0|2,0,0]=4 8594 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)I 527a_100000210585_100000751301 [0,2,0,0,0,0|2,0,0]=4 8595 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)O 240690a_100000210585_100000702456 [0,2,0,0,0,0|2,0,0]=4 8596 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1Cl)O 527a_100000210585_100000702456 [0,2,0,0,0,0|2,0,0]=4 8597 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)Br 240690a_100000210585_100000214689 [0,2,0,0,0,0|2,0,0]=4 8598 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)Br 527a_100000210585_100000214689 [0,2,0,0,0,0|2,0,0]=4 8599 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)Cl 240690a_100000210585_100000212326 [0,2,0,0,0,0|2,0,0]=4 8600 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)Cl 527a_100000210585_100000212326 [0,2,0,0,0,0|2,0,0]=4 8601 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)F 240690a_100000210585_100000211022 [0,2,0,0,0,0|2,0,0]=4 8602 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)F 527a_100000210585_100000211022 [0,2,0,0,0,0|2,0,0]=4 8603 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)I 240690a_100000210585_100000037189 [0,2,0,0,0,0|2,0,0]=4 8604 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)I 527a_100000210585_100000037189 [0,2,0,0,0,0|2,0,0]=4 8605 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)O 240690a_100000210585_100000689029 [0,2,0,0,0,0|2,0,0]=4 8606 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1F)O 527a_100000210585_100000689029 [0,2,0,0,0,0|2,0,0]=4 8607 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)Br 240690a_100000210585_100000751167 [0,2,0,0,0,0|2,0,0]=4 8608 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)Br 527a_100000210585_100000751167 [0,2,0,0,0,0|2,0,0]=4 8609 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)Cl 240690a_100000210585_100000739380 [0,2,0,0,0,0|2,0,0]=4 8610 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)Cl 527a_100000210585_100000739380 [0,2,0,0,0,0|2,0,0]=4 8611 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)F 240690a_100000210585_100000739341 [0,2,0,0,0,0|2,0,0]=4 8612 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1I)F 527a_100000210585_100000739341 [0,2,0,0,0,0|2,0,0]=4 8613 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)Br 240690a_100000210585_100000744433 [0,2,0,0,0,0|2,0,0]=4 8614 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)Br 527a_100000210585_100000744433 [0,2,0,0,0,0|2,0,0]=4 8615 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)Cl 240690a_100000210585_100000188622 [0,2,0,0,0,0|2,0,0]=4 8616 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)Cl 527a_100000210585_100000188622 [0,2,0,0,0,0|2,0,0]=4 8617 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)F 240690a_100000210585_100000746061 [0,2,0,0,0,0|2,0,0]=4 8618 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)F 527a_100000210585_100000746061 [0,2,0,0,0,0|2,0,0]=4 8619 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)I 240690a_100000210585_100000091984 [0,2,0,0,0,0|2,0,0]=4 8620 B16R1.11442 CN(C)CCNC(=O)c1ccc(cc1O)I 527a_100000210585_100000091984 [0,2,0,0,0,0|2,0,0]=4 8621 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)C)Br 1458a_100000741311_100011214892 [0,2,0,0,0,0|1,0,0]=3 8622 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)C)Cl 1458a_100000688705_100011214892 [0,2,0,0,0,0|1,0,0]=3 8623 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)C)F 1458a_100000686989_100011214892 [0,2,0,0,0,0|1,0,0]=3 8624 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)C)I 1458a_100010189873_100011214892 [0,2,0,0,0,0|1,0,0]=3 8625 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)C)O 1458a_100000692822_100011214892 [0,2,0,0,0,0|1,0,0]=3 8626 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)O)Br 1458a_100000741311_200000718107 [0,2,0,0,0,0|2,0,0]=4 8627 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)O)Cl 1458a_100000688705_200000718107 [0,2,0,0,0,0|2,0,0]=4 8628 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)O)F 1458a_100000686989_200000718107 [0,2,0,0,0,0|2,0,0]=4 8629 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)O)I 1458a_100010189873_200000718107 [0,2,0,0,0,0|2,0,0]=4 8630 B16R1.11442 Cc1cc(ccc1C(=O)CCCC(C)O)O 1458a_100000692822_200000718107 [0,2,0,0,0,0|2,0,0]=4 8631 B16R1.11442 Cc1cc(ccc1C(=O)CCCN(C)C)Br 1458a_100000741311_100000695564 [0,2,0,0,0,0|2,0,0]=4 8632 B16R1.11442 Cc1cc(ccc1C(=O)CCCN(C)C)Cl 1458a_100000688705_100000695564 [0,2,0,0,0,0|2,0,0]=4 8633 B16R1.11442 Cc1cc(ccc1C(=O)CCCN(C)C)F 1458a_100000686989_100000695564 [0,2,0,0,0,0|2,0,0]=4 8634 B16R1.11442 Cc1cc(ccc1C(=O)CCCN(C)C)I 1458a_100010189873_100000695564 [0,2,0,0,0,0|2,0,0]=4 8635 B16R1.11442 Cc1cc(ccc1C(=O)CCCN(C)C)O 1458a_100000692822_100000695564 [0,2,0,0,0,0|2,0,0]=4 8636 B16R1.11442 Cc1cc(ccc1C(=O)CCOC(C)C)Br 1458a_100000741311_100000211751 [0,2,0,0,0,0|2,0,0]=4 8637 B16R1.11442 Cc1cc(ccc1C(=O)CCOC(C)C)Cl 1458a_100000688705_100000211751 [0,2,0,0,0,0|2,0,0]=4 8638 B16R1.11442 Cc1cc(ccc1C(=O)CCOC(C)C)F 1458a_100000686989_100000211751 [0,2,0,0,0,0|2,0,0]=4 8639 B16R1.11442 Cc1cc(ccc1C(=O)CCOC(C)C)I 1458a_100010189873_100000211751 [0,2,0,0,0,0|2,0,0]=4 8640 B16R1.11442 Cc1cc(ccc1C(=O)CCOC(C)C)O 1458a_100000692822_100000211751 [0,2,0,0,0,0|2,0,0]=4 8641 B16R1.11442 Cc1cc(ccc1C(=O)CCSC(C)C)Br 1458a_100000741311_100000730970 [0,2,0,0,0,0|2,0,0]=4 8642 B16R1.11442 Cc1cc(ccc1C(=O)CCSC(C)C)Cl 1458a_100000688705_100000730970 [0,2,0,0,0,0|2,0,0]=4 8643 B16R1.11442 Cc1cc(ccc1C(=O)CCSC(C)C)F 1458a_100000686989_100000730970 [0,2,0,0,0,0|2,0,0]=4 8644 B16R1.11442 Cc1cc(ccc1C(=O)CCSC(C)C)I 1458a_100010189873_100000730970 [0,2,0,0,0,0|2,0,0]=4 8645 B16R1.11442 Cc1cc(ccc1C(=O)CCSC(C)C)O 1458a_100000692822_100000730970 [0,2,0,0,0,0|2,0,0]=4 8646 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Br 11a_100000210545_100000741311 [0,2,0,0,0,0|1,0,0]=3 8647 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Br 1626a_100000210545_100000741311 [0,2,0,0,0,0|1,0,0]=3 8648 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Br 240690a_100000210545_100000741311 [0,2,0,0,0,0|1,0,0]=3 8649 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Br 527a_100000210545_100000741311 [0,2,0,0,0,0|1,0,0]=3 8650 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Cl 11a_100000210545_100000688705 [0,2,0,0,0,0|1,0,0]=3 8651 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Cl 1626a_100000210545_100000688705 [0,2,0,0,0,0|1,0,0]=3 8652 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Cl 240690a_100000210545_100000688705 [0,2,0,0,0,0|1,0,0]=3 8653 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)Cl 527a_100000210545_100000688705 [0,2,0,0,0,0|1,0,0]=3 8654 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)F 11a_100000210545_100000686989 [0,2,0,0,0,0|1,0,0]=3 8655 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)F 1626a_100000210545_100000686989 [0,2,0,0,0,0|1,0,0]=3 8656 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)F 240690a_100000210545_100000686989 [0,2,0,0,0,0|1,0,0]=3 8657 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)F 527a_100000210545_100000686989 [0,2,0,0,0,0|1,0,0]=3 8658 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)I 11a_100000210545_100010189873 [0,2,0,0,0,0|1,0,0]=3 8659 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)I 1626a_100000210545_100010189873 [0,2,0,0,0,0|1,0,0]=3 8660 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)I 240690a_100000210545_100010189873 [0,2,0,0,0,0|1,0,0]=3 8661 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)I 527a_100000210545_100010189873 [0,2,0,0,0,0|1,0,0]=3 8662 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)O 240690a_100000210545_100000692822 [0,2,0,0,0,0|1,0,0]=3 8663 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)C)O 527a_100000210545_100000692822 [0,2,0,0,0,0|1,0,0]=3 8664 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)Br 240690a_200000755665_100000741311 [0,2,0,0,0,0|2,0,0]=4 8665 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)Br 527a_200000755665_100000741311 [0,2,0,0,0,0|2,0,0]=4 8666 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)Cl 240690a_200000755665_100000688705 [0,2,0,0,0,0|2,0,0]=4 8667 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)Cl 527a_200000755665_100000688705 [0,2,0,0,0,0|2,0,0]=4 8668 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)F 240690a_200000755665_100000686989 [0,2,0,0,0,0|2,0,0]=4 8669 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)F 527a_200000755665_100000686989 [0,2,0,0,0,0|2,0,0]=4 8670 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)I 240690a_200000755665_100010189873 [0,2,0,0,0,0|2,0,0]=4 8671 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)I 527a_200000755665_100010189873 [0,2,0,0,0,0|2,0,0]=4 8672 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)O 240690a_200000755665_100000692822 [0,2,0,0,0,0|2,0,0]=4 8673 B16R1.11442 Cc1cc(ccc1C(=O)NCCC(C)O)O 527a_200000755665_100000692822 [0,2,0,0,0,0|2,0,0]=4 8674 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)Br 240690a_100000210585_100000741311 [0,2,0,0,0,0|2,0,0]=4 8675 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)Br 527a_100000210585_100000741311 [0,2,0,0,0,0|2,0,0]=4 8676 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)Cl 240690a_100000210585_100000688705 [0,2,0,0,0,0|2,0,0]=4 8677 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)Cl 527a_100000210585_100000688705 [0,2,0,0,0,0|2,0,0]=4 8678 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)F 240690a_100000210585_100000686989 [0,2,0,0,0,0|2,0,0]=4 8679 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)F 527a_100000210585_100000686989 [0,2,0,0,0,0|2,0,0]=4 8680 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)I 240690a_100000210585_100010189873 [0,2,0,0,0,0|2,0,0]=4 8681 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)I 527a_100000210585_100010189873 [0,2,0,0,0,0|2,0,0]=4 8682 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)O 240690a_100000210585_100000692822 [0,2,0,0,0,0|2,0,0]=4 8683 B16R1.11442 Cc1cc(ccc1C(=O)NCCN(C)C)O 527a_100000210585_100000692822 [0,2,0,0,0,0|2,0,0]=4 8684 B16R1.11442 Cc1cc(ccc1C(=O)NNCC(C)C)Br 22a_100000696102_100000741311 [0,2,0,0,0,0|2,0,0]=4 8685 B16R1.11442 Cc1cc(ccc1C(=O)NNCC(C)C)Cl 22a_100000696102_100000688705 [0,2,0,0,0,0|2,0,0]=4 8686 B16R1.11442 Cc1cc(ccc1C(=O)NNCC(C)C)F 22a_100000696102_100000686989 [0,2,0,0,0,0|2,0,0]=4 8687 B16R1.11442 Cc1cc(ccc1C(=O)NNCC(C)C)I 22a_100000696102_100010189873 [0,2,0,0,0,0|2,0,0]=4 8688 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)CCCC(C)C 1458a_100000685072_100011214892 [0,2,0,0,0,0|1,0,0]=3 8689 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)CCCC(C)O 1458a_100000685072_200000718107 [0,2,0,0,0,0|2,0,0]=4 8690 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)CCCN(C)C 1458a_100000685072_100000695564 [0,2,0,0,0,0|2,0,0]=4 8691 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)CCOC(C)C 1458a_100000685072_100000211751 [0,2,0,0,0,0|2,0,0]=4 8692 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)CCSC(C)C 1458a_100000685072_100000730970 [0,2,0,0,0,0|2,0,0]=4 8693 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)C 11a_100000210545_100000685072 [0,2,0,0,0,0|1,0,0]=3 8694 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)C 1626a_100000210545_100000685072 [0,2,0,0,0,0|1,0,0]=3 8695 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)C 240690a_100000210545_100000685072 [0,2,0,0,0,0|1,0,0]=3 8696 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)C 527a_100000210545_100000685072 [0,2,0,0,0,0|1,0,0]=3 8697 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)O 240690a_200000755665_100000685072 [0,2,0,0,0,0|2,0,0]=4 8698 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCC(C)O 527a_200000755665_100000685072 [0,2,0,0,0,0|2,0,0]=4 8699 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCN(C)C 240690a_100000210585_100000685072 [0,2,0,0,0,0|2,0,0]=4 8700 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NCCN(C)C 527a_100000210585_100000685072 [0,2,0,0,0,0|2,0,0]=4 8701 B16R1.11442 Cc1ccc(c(c1)Br)C(=O)NNCC(C)C 22a_100000696102_100000685072 [0,2,0,0,0,0|2,0,0]=4 8702 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CCCC(C)C 1458a_100000211164_100011214892 [0,2,0,0,0,0|1,0,0]=3 8703 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CCCC(C)O 1458a_100000211164_200000718107 [0,2,0,0,0,0|2,0,0]=4 8704 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CCCN(C)C 1458a_100000211164_100000695564 [0,2,0,0,0,0|2,0,0]=4 8705 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CCOC(C)C 1458a_100000211164_100000211751 [0,2,0,0,0,0|2,0,0]=4 8706 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CCSC(C)C 1458a_100000211164_100000730970 [0,2,0,0,0,0|2,0,0]=4 8707 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CNCC(C)C 2230a_100000210953_100000229959 [0,2,0,0,0,0|2,0,0]=4 8708 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CNCC(C)C 34a_100000210953_100000229959 [0,2,0,0,0,0|2,0,0]=4 8709 B16R1.11442 Cc1ccc(c(c1)C)C(=O)COCC(C)C 34a_100000210257_100000229959 [0,2,0,0,0,0|2,0,0]=4 8710 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CSCC(C)C 62a_100000210624_100000229959 [0,2,0,0,0,0|2,0,0]=4 8711 B16R1.11442 Cc1ccc(c(c1)C)C(=O)CSCC(C)C 62a_100000229959_100000210760 [0,2,0,0,0,0|2,0,0]=4 8712 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)C 11a_100000210545_100000211164 [0,2,0,0,0,0|1,0,0]=3 8713 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)C 1626a_100000210545_100000211164 [0,2,0,0,0,0|1,0,0]=3 8714 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)C 240690a_100000210545_100000211164 [0,2,0,0,0,0|1,0,0]=3 8715 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)C 527a_100000210545_100000211164 [0,2,0,0,0,0|1,0,0]=3 8716 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)O 240690a_200000755665_100000211164 [0,2,0,0,0,0|2,0,0]=4 8717 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCC(C)O 527a_200000755665_100000211164 [0,2,0,0,0,0|2,0,0]=4 8718 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCN(C)C 240690a_100000210585_100000211164 [0,2,0,0,0,0|2,0,0]=4 8719 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NCCN(C)C 527a_100000210585_100000211164 [0,2,0,0,0,0|2,0,0]=4 8720 B16R1.11442 Cc1ccc(c(c1)C)C(=O)NNCC(C)C 22a_100000696102_100000211164 [0,2,0,0,0,0|2,0,0]=4 8721 B16R1.11442 Cc1ccc(c(c1)C)C(C)OCCC(C)C 34a_100000246504_100000210312 [0,2,0,0,0,0|1,0,1]=4 8722 B16R1.11442 Cc1ccc(c(c1)C)C(C)OCCC(C)C 7a_100000246504_100000210626 [0,2,0,0,0,0|1,0,1]=4 8723 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)CCCC(C)C 1458a_100000766932_100011214892 [0,2,0,0,0,0|1,0,0]=3 8724 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)CCCC(C)O 1458a_100000766932_200000718107 [0,2,0,0,0,0|2,0,0]=4 8725 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)CCCN(C)C 1458a_100000766932_100000695564 [0,2,0,0,0,0|2,0,0]=4 8726 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)CCOC(C)C 1458a_100000766932_100000211751 [0,2,0,0,0,0|2,0,0]=4 8727 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)CCSC(C)C 1458a_100000766932_100000730970 [0,2,0,0,0,0|2,0,0]=4 8728 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)C 11a_100000210545_100000766932 [0,2,0,0,0,0|1,0,0]=3 8729 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)C 1626a_100000210545_100000766932 [0,2,0,0,0,0|1,0,0]=3 8730 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)C 240690a_100000210545_100000766932 [0,2,0,0,0,0|1,0,0]=3 8731 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)C 527a_100000210545_100000766932 [0,2,0,0,0,0|1,0,0]=3 8732 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)O 240690a_200000755665_100000766932 [0,2,0,0,0,0|2,0,0]=4 8733 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCC(C)O 527a_200000755665_100000766932 [0,2,0,0,0,0|2,0,0]=4 8734 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCN(C)C 240690a_100000210585_100000766932 [0,2,0,0,0,0|2,0,0]=4 8735 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NCCN(C)C 527a_100000210585_100000766932 [0,2,0,0,0,0|2,0,0]=4 8736 B16R1.11442 Cc1ccc(c(c1)Cl)C(=O)NNCC(C)C 22a_100000696102_100000766932 [0,2,0,0,0,0|2,0,0]=4 8737 B16R1.11442 Cc1ccc(c(c1)F)C(=O)CCCC(C)C 1458a_100000766033_100011214892 [0,2,0,0,0,0|1,0,0]=3 8738 B16R1.11442 Cc1ccc(c(c1)F)C(=O)CCCC(C)O 1458a_100000766033_200000718107 [0,2,0,0,0,0|2,0,0]=4 8739 B16R1.11442 Cc1ccc(c(c1)F)C(=O)CCCN(C)C 1458a_100000766033_100000695564 [0,2,0,0,0,0|2,0,0]=4 8740 B16R1.11442 Cc1ccc(c(c1)F)C(=O)CCOC(C)C 1458a_100000766033_100000211751 [0,2,0,0,0,0|2,0,0]=4 8741 B16R1.11442 Cc1ccc(c(c1)F)C(=O)CCSC(C)C 1458a_100000766033_100000730970 [0,2,0,0,0,0|2,0,0]=4 8742 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)C 11a_100000210545_100000766033 [0,2,0,0,0,0|1,0,0]=3 8743 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)C 1626a_100000210545_100000766033 [0,2,0,0,0,0|1,0,0]=3 8744 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)C 240690a_100000210545_100000766033 [0,2,0,0,0,0|1,0,0]=3 8745 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)C 527a_100000210545_100000766033 [0,2,0,0,0,0|1,0,0]=3 8746 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)O 240690a_200000755665_100000766033 [0,2,0,0,0,0|2,0,0]=4 8747 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCC(C)O 527a_200000755665_100000766033 [0,2,0,0,0,0|2,0,0]=4 8748 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCN(C)C 240690a_100000210585_100000766033 [0,2,0,0,0,0|2,0,0]=4 8749 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NCCN(C)C 527a_100000210585_100000766033 [0,2,0,0,0,0|2,0,0]=4 8750 B16R1.11442 Cc1ccc(c(c1)F)C(=O)NNCC(C)C 22a_100000696102_100000766033 [0,2,0,0,0,0|2,0,0]=4 8751 B16R1.11442 Cc1ccc(c(c1)I)C(=O)CCCC(C)C 1458a_100009999607_100011214892 [0,2,0,0,0,0|1,0,0]=3 8752 B16R1.11442 Cc1ccc(c(c1)I)C(=O)CCCC(C)O 1458a_100009999607_200000718107 [0,2,0,0,0,0|2,0,0]=4 8753 B16R1.11442 Cc1ccc(c(c1)I)C(=O)CCCN(C)C 1458a_100009999607_100000695564 [0,2,0,0,0,0|2,0,0]=4 8754 B16R1.11442 Cc1ccc(c(c1)I)C(=O)CCOC(C)C 1458a_100009999607_100000211751 [0,2,0,0,0,0|2,0,0]=4 8755 B16R1.11442 Cc1ccc(c(c1)I)C(=O)CCSC(C)C 1458a_100009999607_100000730970 [0,2,0,0,0,0|2,0,0]=4 8756 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)C 11a_100000210545_100009999607 [0,2,0,0,0,0|1,0,0]=3 8757 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)C 1626a_100000210545_100009999607 [0,2,0,0,0,0|1,0,0]=3 8758 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)C 240690a_100000210545_100009999607 [0,2,0,0,0,0|1,0,0]=3 8759 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)C 527a_100000210545_100009999607 [0,2,0,0,0,0|1,0,0]=3 8760 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)O 240690a_200000755665_100009999607 [0,2,0,0,0,0|2,0,0]=4 8761 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCC(C)O 527a_200000755665_100009999607 [0,2,0,0,0,0|2,0,0]=4 8762 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCN(C)C 240690a_100000210585_100009999607 [0,2,0,0,0,0|2,0,0]=4 8763 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NCCN(C)C 527a_100000210585_100009999607 [0,2,0,0,0,0|2,0,0]=4 8764 B16R1.11442 Cc1ccc(c(c1)I)C(=O)NNCC(C)C 22a_100000696102_100009999607 [0,2,0,0,0,0|2,0,0]=4 8765 B16R1.11442 Cc1ccc(c(c1)O)C(=O)CCCC(C)C 1458a_100000212137_100011214892 [0,2,0,0,0,0|1,0,0]=3 8766 B16R1.11442 Cc1ccc(c(c1)O)C(=O)CCCC(C)O 1458a_100000212137_200000718107 [0,2,0,0,0,0|2,0,0]=4 8767 B16R1.11442 Cc1ccc(c(c1)O)C(=O)CCCN(C)C 1458a_100000212137_100000695564 [0,2,0,0,0,0|2,0,0]=4 8768 B16R1.11442 Cc1ccc(c(c1)O)C(=O)CCOC(C)C 1458a_100000212137_100000211751 [0,2,0,0,0,0|2,0,0]=4 8769 B16R1.11442 Cc1ccc(c(c1)O)C(=O)CCSC(C)C 1458a_100000212137_100000730970 [0,2,0,0,0,0|2,0,0]=4 8770 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCC(C)C 1626a_100000210545_100000212137 [0,2,0,0,0,0|1,0,0]=3 8771 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCC(C)C 240690a_100000210545_100000212137 [0,2,0,0,0,0|1,0,0]=3 8772 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCC(C)C 527a_100000210545_100000212137 [0,2,0,0,0,0|1,0,0]=3 8773 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCC(C)O 240690a_200000755665_100000212137 [0,2,0,0,0,0|2,0,0]=4 8774 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCC(C)O 527a_200000755665_100000212137 [0,2,0,0,0,0|2,0,0]=4 8775 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCN(C)C 240690a_100000210585_100000212137 [0,2,0,0,0,0|2,0,0]=4 8776 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NCCN(C)C 527a_100000210585_100000212137 [0,2,0,0,0,0|2,0,0]=4 8777 B16R1.11442 Cc1ccc(c(c1)O)C(=O)NNCC(C)C 22a_100000696102_100000212137 [0,2,0,0,0,0|2,0,0]=4 8778 B16R1.355 C#CC(C)(C)OCCC(=O)c1ccccc1 7a_100000189450_100000750707 [0,2,0,0,0,0|2,0,0]=4 8779 B16R1.355 C#CC(C)(C)OCOC(=O)c1ccccc1 7a_100000189450_100000073877 [0,2,0,0,0,0|1,0,0]=3 8780 B16R1.355 C#CC(C)(C)SCCC(=O)c1ccccc1 62a_100000038118_100000750707 [0,2,0,0,0,0|2,0,0]=4 8781 B16R1.355 C#CC(C)(C)SCCC(=O)c1ccccc1 62a_100000750707_100000038118 [0,2,0,0,0,0|2,0,0]=4 8782 B16R1.355 C#CC(C)(C)SCOC(=O)c1ccccc1 62a_100000038118_100000073877 [0,2,0,0,0,0|1,0,0]=3 8783 B16R1.355 C#CC(C)(C)SCOC(=O)c1ccccc1 62a_100000073877_100000038118 [0,2,0,0,0,0|1,0,0]=3 8784 B16R1.355 C=CC(C)(C)OCCC(=O)c1ccccc1 7a_100011215311_100000750707 [0,2,0,0,0,0|2,0,0]=4 8785 B16R1.355 C=CC(C)(C)OCOC(=O)c1ccccc1 7a_100011215311_100000073877 [0,2,0,0,0,0|1,0,0]=3 8786 B16R1.355 CC(C)(C#N)CCCC(=O)c1ccccc1 1458a_100000185807_100000759902 [0,2,0,0,0,0|1,0,0]=3 8787 B16R1.355 CC(C)(C#N)SCCC(=O)c1ccccc1 62a_100000750707_100011162410 [0,2,0,0,0,0|2,0,0]=4 8788 B16R1.355 CC(C)(C#N)SCCC(=O)c1ccccc1 62a_100011162410_100000750707 [0,2,0,0,0,0|2,0,0]=4 8789 B16R1.355 CC(C)(C#N)SCOC(=O)c1ccccc1 62a_100000073877_100011162410 [0,2,0,0,0,0|1,0,0]=3 8790 B16R1.355 CC(C)(C#N)SCOC(=O)c1ccccc1 62a_100011162410_100000073877 [0,2,0,0,0,0|1,0,0]=3 8791 B16R1.355 CC(C)(CCl)COCC(=O)c1ccccc1 7a_100011217199_100000211460 [0,2,0,0,0,0|2,0,0]=4 8792 B16R1.355 CC(C)(CCl)OCCC(=O)c1ccccc1 7a_100000764493_100000750707 [0,2,0,0,0,0|2,0,0]=4 8793 B16R1.355 CC(C)(CCl)OCOC(=O)c1ccccc1 7a_100000764493_100000073877 [0,2,0,0,0,0|1,0,0]=3 8794 B16R1.355 CC(C)(CO)CSCC(=O)c1ccccc1 62a_100000211460_100009813988 [0,2,0,0,0,0|2,0,0]=4 8795 B16R1.355 CC(C)(CO)CSCC(=O)c1ccccc1 62a_100009813988_100000211460 [0,2,0,0,0,0|2,0,0]=4 8796 B16R1.355 CC(C)(CO)NCCC(=O)c1ccccc1 2230a_100000210608_100000750707 [0,2,0,0,0,0|2,0,0]=4 8797 B16R1.355 CCC(C)(C)COCC(=O)c1ccccc1 7a_100000765029_100000211460 [0,2,0,0,0,0|2,0,0]=4 8798 B16R1.355 CCC(C)(C)NCCC(=O)c1ccccc1 2230a_100000211385_100000750707 [0,2,0,0,0,0|2,0,0]=4 8799 B16R1.355 CCC(C)(C)OCCC(=O)c1ccccc1 7a_100000210230_100000750707 [0,2,0,0,0,0|2,0,0]=4 8800 B16R1.355 CCC(C)(C)OCOC(=O)c1ccccc1 7a_100000210230_100000073877 [0,2,0,0,0,0|1,0,0]=3 8801 B16R1.355 CCC(C)(C)SCCC(=O)c1ccccc1 62a_100000032637_100000750707 [0,2,0,0,0,0|2,0,0]=4 8802 B16R1.355 CCC(C)(C)SCCC(=O)c1ccccc1 62a_100000750707_100000032637 [0,2,0,0,0,0|2,0,0]=4 8803 B16R1.355 CCC(C)(C)SCOC(=O)c1ccccc1 62a_100000032637_100000073877 [0,2,0,0,0,0|1,0,0]=3 8804 B16R1.355 CCC(C)(C)SCOC(=O)c1ccccc1 62a_100000073877_100000032637 [0,2,0,0,0,0|1,0,0]=3 8805 B16R1.355 COC(C)(C)CCOC(C)c1ccccc1 7a_100000699976_100000230085 [0,2,0,0,0,0|1,0,1]=4 8806 B16R1.355 COC(C)(C)CSCC(=O)c1ccccc1 62a_100000211460_100000701081 [0,2,0,0,0,0|2,0,0]=4 8807 B16R1.355 COC(C)(C)CSCC(=O)c1ccccc1 62a_100000701081_100000211460 [0,2,0,0,0,0|2,0,0]=4 8808 B16R1.355 O=C(OCSC(F)(F)CO)c1ccccc1 62a_100000073877_100011217949 [0,2,0,0,0,0|2,0,0]=4 8809 B16R1.355 O=C(OCSC(F)(F)CO)c1ccccc1 62a_100011217949_100000073877 [0,2,0,0,0,0|2,0,0]=4 8810 B16R1.555 C#CC(CC)OCOC(=O)c1ccccc1 7a_100000758843_100000073877 [0,2,0,0,0,0|1,0,1]=4 8811 B16R1.555 C=CC(CC)OCOC(=O)c1ccccc1 7a_100000766422_100000073877 [0,2,0,0,0,0|1,0,1]=4 8812 B16R1.555 CCC(CC)COCC(=O)c1ccccc1 7a_100000703878_100000211460 [0,2,0,0,0,0|2,0,0]=4 8813 B16R1.555 CCC(CC)CSCC(=O)c1ccccc1 62a_100000211460_100011215472 [0,2,0,0,0,0|2,0,0]=4 8814 B16R1.555 CCC(CC)CSCC(=O)c1ccccc1 62a_100011215472_100000211460 [0,2,0,0,0,0|2,0,0]=4 8815 B16R1.555 CCC(CC)NCCC(=O)c1ccccc1 2230a_100000199018_100000750707 [0,2,0,0,0,0|2,0,0]=4 8816 B16R1.555 CCC(CC)OCCC(=O)c1ccccc1 7a_100000688536_100000750707 [0,2,0,0,0,0|2,0,0]=4 8817 B16R1.555 CCC(CC)OCOC(=O)c1ccccc1 7a_100000688536_100000073877 [0,2,0,0,0,0|1,0,0]=3 8818 B16R1.555 CCC(CC)SCCC(=O)c1ccccc1 62a_100000210505_100000750707 [0,2,0,0,0,0|2,0,0]=4 8819 B16R1.555 CCC(CC)SCCC(=O)c1ccccc1 62a_100000750707_100000210505 [0,2,0,0,0,0|2,0,0]=4 8820 B16R1.555 CCC(CC)SCOC(=O)c1ccccc1 62a_100000073877_100000210505 [0,2,0,0,0,0|1,0,0]=3 8821 B16R1.555 CCC(CC)SCOC(=O)c1ccccc1 62a_100000210505_100000073877 [0,2,0,0,0,0|1,0,0]=3 8822 B16R1.555 CCC(COCC(=O)c1ccccc1)OC 7a_100011934954_100000211460 [0,2,0,0,0,0|2,0,0]=4 8823 B16R1.555 CCN(CC)CCCC(=O)c1ccccc1 1458a_100000185807_100000709985 [0,2,0,0,0,0|2,0,0]=4 8824 B16R1.555 CCN(CC)CCCC(=O)c1ccccc1 2230a_100000724800_100000211006 [0,2,0,0,0,0|2,0,0]=4 8825 B16R1.555 CCN(CC)CCCC(=O)c1ccccc1 269956a_100000042499_100000211006 [0,2,0,0,0,0|2,0,0]=4 8826 B16R1.555 CCN(CC)CCCC(=O)c1ccccc1 269982a_100000724800_100000211006 [0,2,0,0,0,0|2,0,0]=4 8827 B16R1.555 CCN(CC)CCNC(=O)c1ccccc1 1626a_100015382049_100000185807 [0,2,0,0,0,0|2,0,0]=4 8828 B16R1.555 CCN(CC)CCNC(=O)c1ccccc1 240690a_100015382049_100000185807 [0,2,0,0,0,0|2,0,0]=4 8829 B16R1.555 CCN(CC)CCNC(=O)c1ccccc1 269956a_100000042499_200011215302 [0,2,0,0,0,0|2,0,0]=4 8830 B16R1.555 CCN(CC)CCNC(=O)c1ccccc1 269982a_100000724800_200011215302 [0,2,0,0,0,0|2,0,0]=4 8831 B16R1.555 CCN(CC)CCNC(=O)c1ccccc1 527a_100015382049_100000185807 [0,2,0,0,0,0|2,0,0]=4 8832 B16R1.555 CCN(CC)CCOC(=O)c1ccccc1 269956a_100000042499_100009812718 [0,2,0,0,0,0|1,0,0]=3 8833 B16R1.555 CCN(CC)CCOC(=O)c1ccccc1 269982a_100000724800_100009812718 [0,2,0,0,0,0|1,0,0]=3 8834 B16R1.555 CC[C@@H](CO)NCCC(=O)c1ccccc1 2230a_100000709445_100000750707 [0,2,0,0,0,0|2,0,0]=4 8835 B16R1.555 COC(CCCC(=O)c1ccccc1)OC 1458a_100000185807_100000069011 [0,2,0,0,0,0|1,0,0]=3 8836 B16R1.555 COC(CCO[C@H](C)c1ccccc1)OC 34a_100000761318_100000139399 [0,2,0,0,0,0|1,0,1]=4 8837 B16R1.555 COC(CCO[C@H](C)c1ccccc1)OC 7a_100000761318_100009813347 [0,2,0,0,0,0|1,0,1]=4 8838 B16R1.555 COC(CSCC(=O)c1ccccc1)OC 62a_100000211460_100000751394 [0,2,0,0,0,0|2,0,0]=4 8839 B16R1.555 COC(CSCC(=O)c1ccccc1)OC 62a_100000751394_100000211460 [0,2,0,0,0,0|2,0,0]=4 8840 B16R1.555 O=C(CCNC(CO)CO)c1ccccc1 2230a_100000759517_100000750707 [0,2,0,0,0,0|2,0,0]=4 8841 B16R1.555 O=C(CCOC(CCl)CCl)c1ccccc1 7a_100000737055_100000750707 [0,2,0,0,0,0|2,0,0]=4 8842 B16R1.555 O=C(CCOC(CF)CF)c1ccccc1 7a_100000032261_100000750707 [0,2,0,0,0,0|2,0,0]=4 8843 B16R1.555 O=C(CCO[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100000750707 [0,2,0,0,0,0|2,0,0]=4 8844 B16R1.555 O=C(OCOC(CCl)CCl)c1ccccc1 7a_100000737055_100000073877 [0,2,0,0,0,0|1,0,0]=3 8845 B16R1.555 O=C(OCOC(CF)CF)c1ccccc1 7a_100000032261_100000073877 [0,2,0,0,0,0|1,0,0]=3 8846 B16R1.555 O=C(OCO[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100000073877 [0,2,0,0,0,0|1,0,0]=3 8847 B16R1.847 CCC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000708755_100000211460 [0,2,0,0,0,0|1,0,1]=4 8848 B16R1.847 CCC(C)CC(C)NC(=O)c1ccccc1 11a_100000763565_100000185807 [0,2,0,0,0,0|1,0,0]=3 8849 B16R1.847 CCC(C)CC(C)NC(=O)c1ccccc1 1626a_100000763565_100000185807 [0,2,0,0,0,0|1,0,0]=3 8850 B16R1.847 CCC(C)CC(C)NC(=O)c1ccccc1 240690a_100000763565_100000185807 [0,2,0,0,0,0|1,0,0]=3 8851 B16R1.847 CCC(C)CC(C)NC(=O)c1ccccc1 527a_100000763565_100000185807 [0,2,0,0,0,0|1,0,0]=3 8852 B16R1.847 CCC(C)CN(C)CC(=O)c1ccccc1 269982a_100000753921_100000211460 [0,2,0,0,0,0|2,0,0]=4 8853 B16R1.929 C#CCC(=O)CCOC(=O)c1ccccc1 1458a_100011220946_100000184176 [0,2,0,0,0,0|1,0,1]=4 8854 B16R1.929 C#CCC(C)OCCC(=O)c1ccccc1 7a_100000685586_100000750707 [0,2,0,0,0,0|2,0,0]=4 8855 B16R1.929 C#CCC(C)OCOC(=O)c1ccccc1 7a_100000685586_100000073877 [0,2,0,0,0,0|1,0,0]=3 8856 B16R1.929 C#CCN(C)CCCC(=O)c1ccccc1 2230a_100000225692_100000211006 [0,2,0,0,0,0|2,0,0]=4 8857 B16R1.929 C#CCN(C)CCOC(=O)c1ccccc1 34a_100000225692_100009812718 [0,2,0,0,0,0|1,0,0]=3 8858 B16R1.929 C=CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210193_100000184176 [0,2,0,0,0,0|1,0,1]=4 8859 B16R1.929 C=CCC(C)COCC(=O)c1ccccc1 7a_100009832082_100000211460 [0,2,0,0,0,0|2,0,0]=4 8860 B16R1.929 C=CCN(C)CCCC(=O)c1ccccc1 2230a_100000225617_100000211006 [0,2,0,0,0,0|2,0,0]=4 8861 B16R1.929 C=CCN(C)CCCC(=O)c1ccccc1 269982a_100000225617_100000211006 [0,2,0,0,0,0|2,0,0]=4 8862 B16R1.929 C=CCN(C)CCNC(=O)c1ccccc1 269982a_100000225617_200011215302 [0,2,0,0,0,0|2,0,0]=4 8863 B16R1.929 C=CCN(C)CCOC(=O)c1ccccc1 269982a_100000225617_100009812718 [0,2,0,0,0,0|1,0,0]=3 8864 B16R1.929 C=CC[C@@H](C)OCCC(=O)c1ccccc1 7a_100000731007_100000750707 [0,2,0,0,0,0|2,0,0]=4 8865 B16R1.929 C=CC[C@@H](C)OCOC(=O)c1ccccc1 7a_100000731007_100000073877 [0,2,0,0,0,0|1,0,0]=3 8866 B16R1.929 CC#CC(=O)CCOC(=O)c1ccccc1 1458a_100000763181_100000184176 [0,2,0,0,0,0|1,0,1]=4 8867 B16R1.929 CC(CC#N)SCCC(=O)c1ccccc1 62a_100000750707_100009813641 [0,2,0,0,0,0|2,0,0]=4 8868 B16R1.929 CC(CC#N)SCCC(=O)c1ccccc1 62a_100009813641_100000750707 [0,2,0,0,0,0|2,0,0]=4 8869 B16R1.929 CC(CC#N)SCOC(=O)c1ccccc1 62a_100000073877_100009813641 [0,2,0,0,0,0|1,0,0]=3 8870 B16R1.929 CC(CC#N)SCOC(=O)c1ccccc1 62a_100009813641_100000073877 [0,2,0,0,0,0|1,0,0]=3 8871 B16R1.929 CC(CCO)SCCC(=O)c1ccccc1 62a_100000750707_100009893172 [0,2,0,0,0,0|2,0,0]=4 8872 B16R1.929 CC(CCO)SCCC(=O)c1ccccc1 62a_100009893172_100000750707 [0,2,0,0,0,0|2,0,0]=4 8873 B16R1.929 CC(CCO)SCOC(=O)c1ccccc1 62a_100000073877_100009893172 [0,2,0,0,0,0|1,0,0]=3 8874 B16R1.929 CC(CCO)SCOC(=O)c1ccccc1 62a_100009893172_100000073877 [0,2,0,0,0,0|1,0,0]=3 8875 B16R1.929 CC=CC(=O)CCOC(=O)c1ccccc1 1458a_100000210699_100000184176 [0,2,0,0,0,0|1,0,1]=4 8876 B16R1.929 CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000211992_100000184176 [0,2,0,0,0,0|1,0,1]=4 8877 B16R1.929 CCCC(C)CCOC(C)c1ccccc1 34a_100011217855_100000211855 [0,2,0,0,0,0|1,0,1]=4 8878 B16R1.929 CCCC(C)CCOC(C)c1ccccc1 7a_100011217855_100000230085 [0,2,0,0,0,0|1,0,1]=4 8879 B16R1.929 CCCC(C)COCC(=O)c1ccccc1 7a_100000688023_100000211460 [0,2,0,0,0,0|2,0,0]=4 8880 B16R1.929 CCCC(C)CSCC(=O)c1ccccc1 62a_100000211460_100011216630 [0,2,0,0,0,0|2,0,0]=4 8881 B16R1.929 CCCC(C)CSCC(=O)c1ccccc1 62a_100011216630_100000211460 [0,2,0,0,0,0|2,0,0]=4 8882 B16R1.929 CCCC(C)NCCC(=O)c1ccccc1 2230a_100000741246_100000750707 [0,2,0,0,0,0|2,0,0]=4 8883 B16R1.929 CCCC(C)OCCC(=O)c1ccccc1 7a_100000764384_100000750707 [0,2,0,0,0,0|2,0,0]=4 8884 B16R1.929 CCCC(C)OCOC(=O)c1ccccc1 7a_100000764384_100000073877 [0,2,0,0,0,0|1,0,0]=3 8885 B16R1.929 CCCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000766640 [0,2,0,0,0,0|2,0,0]=4 8886 B16R1.929 CCCC(C)SCCC(=O)c1ccccc1 62a_100000766640_100000750707 [0,2,0,0,0,0|2,0,0]=4 8887 B16R1.929 CCCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000766640 [0,2,0,0,0,0|1,0,0]=3 8888 B16R1.929 CCCC(C)SCOC(=O)c1ccccc1 62a_100000766640_100000073877 [0,2,0,0,0,0|1,0,0]=3 8889 B16R1.929 CCCN(C)CCCC(=O)c1ccccc1 2230a_100000747261_100000211006 [0,2,0,0,0,0|2,0,0]=4 8890 B16R1.929 CCCN(C)CCCC(=O)c1ccccc1 269982a_100000747261_100000211006 [0,2,0,0,0,0|2,0,0]=4 8891 B16R1.929 CCCN(C)CCNC(=O)c1ccccc1 269982a_100000747261_200011215302 [0,2,0,0,0,0|2,0,0]=4 8892 B16R1.929 CCCN(C)CCOC(=O)c1ccccc1 269982a_100000747261_100009812718 [0,2,0,0,0,0|1,0,0]=3 8893 B16R1.929 CN(CC#N)CCCC(=O)c1ccccc1 2230a_100000748184_100000211006 [0,2,0,0,0,0|2,0,0]=4 8894 B16R1.929 CN(CCO)CCCC(=O)c1ccccc1 2230a_100000210263_100000211006 [0,2,0,0,0,0|2,0,0]=4 8895 B16R1.929 CN(CCO)CCCC(=O)c1ccccc1 269982a_100000210263_100000211006 [0,2,0,0,0,0|2,0,0]=4 8896 B16R1.929 CN(CCO)CCNC(=O)c1ccccc1 269982a_100000210263_200011215302 [0,2,0,0,0,0|2,0,0]=4 8897 B16R1.929 CN(CCO)CCOC(=O)c1ccccc1 269982a_100000210263_100009812718 [0,2,0,0,0,0|1,0,0]=3 8898 B16R1.929 COCC(=O)CCOC(=O)c1ccccc1 1458a_100000210968_100000184176 [0,2,0,0,0,0|1,0,1]=4 8899 B16R1.929 COCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000765312 [0,2,0,0,0,0|2,0,0]=4 8900 B16R1.929 COCC(C)SCCC(=O)c1ccccc1 62a_100000765312_100000750707 [0,2,0,0,0,0|2,0,0]=4 8901 B16R1.929 COCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000765312 [0,2,0,0,0,0|1,0,0]=3 8902 B16R1.929 COCC(C)SCOC(=O)c1ccccc1 62a_100000765312_100000073877 [0,2,0,0,0,0|1,0,0]=3 8903 B16R1.929 COC[C@@H](C)NCCC(=O)c1ccccc1 2230a_100000764878_100000750707 [0,2,0,0,0,0|2,0,0]=4 8904 B16R1.929 CSCC(=O)CCOC(=O)c1ccccc1 1458a_100000184570_100000184176 [0,2,0,0,0,0|1,0,1]=4 8905 B16R1.929 C[C@@H](CC#N)NCCC(=O)c1ccccc1 2230a_100016994482_100000750707 [0,2,0,0,0,0|2,0,0]=4 8906 B16R1.929 C[C@H](CCO)NCCC(=O)c1ccccc1 2230a_100000706166_100000750707 [0,2,0,0,0,0|2,0,0]=4 8907 B16R1.929 N#CCC(=O)CCOC(=O)c1ccccc1 1458a_100051588842_100000184176 [0,2,0,0,0,0|1,0,1]=4 8908 B16R1.929 O=C(CCO)CCOC(=O)c1ccccc1 1458a_100011216618_100000184176 [0,2,0,0,0,0|1,0,1]=4 8909 B16R1.1143 CC(CN)COCC(=O)c1cccc(c1)Br 34a_100000744482_100000212080 [0,2,0,0,0,0|2,0,0]=4 8910 B16R1.1143 CC(CN)COCC(=O)c1cccc(c1)Cl 34a_100000744482_100000211444 [0,2,0,0,0,0|2,0,0]=4 8911 B16R1.1143 CC(CN)COCC(=O)c1cccc(c1)F 34a_100000744482_100000215616 [0,2,0,0,0,0|2,0,0]=4 8912 B16R1.1143 CC(CN)COCC(=O)c1cccc(c1)O 34a_100000744482_100009813753 [0,2,0,0,0,0|2,0,0]=4 8913 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)Br 240690a_106354213184_100000210664 [0,2,0,0,0,0|1,0,0]=3 8914 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)Br 527a_106354213184_100000210664 [0,2,0,0,0,0|1,0,0]=3 8915 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)Cl 240690a_106354213184_100000210390 [0,2,0,0,0,0|1,0,0]=3 8916 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)Cl 527a_106354213184_100000210390 [0,2,0,0,0,0|1,0,0]=3 8917 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)F 240690a_106354213184_100000210950 [0,2,0,0,0,0|1,0,0]=3 8918 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)F 527a_106354213184_100000210950 [0,2,0,0,0,0|1,0,0]=3 8919 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)I 240690a_106354213184_100000184098 [0,2,0,0,0,0|1,0,0]=3 8920 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)I 527a_106354213184_100000184098 [0,2,0,0,0,0|1,0,0]=3 8921 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)O 240690a_106354213184_100000183914 [0,2,0,0,0,0|1,0,0]=3 8922 B16R1.1143 CC(CO)CCNC(=O)c1cccc(c1)O 527a_106354213184_100000183914 [0,2,0,0,0,0|1,0,0]=3 8923 B16R1.1143 CC(CO)CNCC(=O)c1cccc(c1)Br 34a_100000744482_100000212080 [0,2,0,0,0,0|2,0,0]=4 8924 B16R1.1143 CC(CO)CNCC(=O)c1cccc(c1)Cl 34a_100000744482_100000211444 [0,2,0,0,0,0|2,0,0]=4 8925 B16R1.1143 CC(CO)CNCC(=O)c1cccc(c1)F 34a_100000744482_100000215616 [0,2,0,0,0,0|2,0,0]=4 8926 B16R1.1143 CC(CO)CNCC(=O)c1cccc(c1)O 34a_100000744482_100009813753 [0,2,0,0,0,0|2,0,0]=4 8927 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Br 11a_100020591266_100000210664 [0,2,0,0,0,0|1,0,0]=3 8928 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Br 1626a_100020591266_100000210664 [0,2,0,0,0,0|1,0,0]=3 8929 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Br 240690a_100020591266_100000210664 [0,2,0,0,0,0|1,0,0]=3 8930 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Br 527a_100020591266_100000210664 [0,2,0,0,0,0|1,0,0]=3 8931 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)C 11a_100020591266_100000189346 [0,2,0,0,0,0|1,0,0]=3 8932 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)C 1626a_100020591266_100000189346 [0,2,0,0,0,0|1,0,0]=3 8933 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)C 240690a_100020591266_100000189346 [0,2,0,0,0,0|1,0,0]=3 8934 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)C 527a_100020591266_100000189346 [0,2,0,0,0,0|1,0,0]=3 8935 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Cl 11a_100020591266_100000210390 [0,2,0,0,0,0|1,0,0]=3 8936 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Cl 1626a_100020591266_100000210390 [0,2,0,0,0,0|1,0,0]=3 8937 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Cl 240690a_100020591266_100000210390 [0,2,0,0,0,0|1,0,0]=3 8938 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)Cl 527a_100020591266_100000210390 [0,2,0,0,0,0|1,0,0]=3 8939 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)F 11a_100020591266_100000210950 [0,2,0,0,0,0|1,0,0]=3 8940 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)F 1626a_100020591266_100000210950 [0,2,0,0,0,0|1,0,0]=3 8941 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)F 240690a_100020591266_100000210950 [0,2,0,0,0,0|1,0,0]=3 8942 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)F 527a_100020591266_100000210950 [0,2,0,0,0,0|1,0,0]=3 8943 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)I 11a_100020591266_100000184098 [0,2,0,0,0,0|1,0,0]=3 8944 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)I 1626a_100020591266_100000184098 [0,2,0,0,0,0|1,0,0]=3 8945 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)I 240690a_100020591266_100000184098 [0,2,0,0,0,0|1,0,0]=3 8946 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)I 527a_100020591266_100000184098 [0,2,0,0,0,0|1,0,0]=3 8947 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)O 240690a_100020591266_100000183914 [0,2,0,0,0,0|1,0,0]=3 8948 B16R1.1143 CCC(C)CCNC(=O)c1cccc(c1)O 527a_100020591266_100000183914 [0,2,0,0,0,0|1,0,0]=3 8949 B16R1.1143 CCC(C)CNCC(=O)c1cccc(c1)Br 2230a_100020588543_100000212080 [0,2,0,0,0,0|2,0,0]=4 8950 B16R1.1143 CCC(C)CNCC(=O)c1cccc(c1)C 2230a_100020588543_100000739480 [0,2,0,0,0,0|2,0,0]=4 8951 B16R1.1143 CCC(C)CNCC(=O)c1cccc(c1)Cl 2230a_100020588543_100000211444 [0,2,0,0,0,0|2,0,0]=4 8952 B16R1.1143 CCC(C)CNCC(=O)c1cccc(c1)F 2230a_100020588543_100000215616 [0,2,0,0,0,0|2,0,0]=4 8953 B16R1.1143 CCC(C)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100000748023 [0,2,0,0,0,0|2,0,0]=4 8954 B16R1.1143 CCC(C)COCC(=O)c1cccc(c1)F 34a_100011592800_100000748023 [0,2,0,0,0,0|2,0,0]=4 8955 B16R1.1143 CCC(C)COCC(=O)c1cccc(c1)F 7a_100011592800_100000748023 [0,2,0,0,0,0|2,0,0]=4 8956 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100000748023 [0,2,0,0,0,0|2,0,0]=4 8957 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)Br 62a_100000748023_100000212080 [0,2,0,0,0,0|2,0,0]=4 8958 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)C 62a_100000739480_100000748023 [0,2,0,0,0,0|2,0,0]=4 8959 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)C 62a_100000748023_100000739480 [0,2,0,0,0,0|2,0,0]=4 8960 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000748023 [0,2,0,0,0,0|2,0,0]=4 8961 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)Cl 62a_100000748023_100000211444 [0,2,0,0,0,0|2,0,0]=4 8962 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)F 62a_100000215616_100000748023 [0,2,0,0,0,0|2,0,0]=4 8963 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)F 62a_100000748023_100000215616 [0,2,0,0,0,0|2,0,0]=4 8964 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)O 62a_100000748023_100009813753 [0,2,0,0,0,0|2,0,0]=4 8965 B16R1.1143 CCC(C)CSCC(=O)c1cccc(c1)O 62a_100009813753_100000748023 [0,2,0,0,0,0|2,0,0]=4 8966 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100015186262 [0,2,0,0,0,0|2,0,0]=4 8967 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)C 1458a_100000189346_100015186262 [0,2,0,0,0,0|2,0,0]=4 8968 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100015186262 [0,2,0,0,0,0|2,0,0]=4 8969 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100015186262 [0,2,0,0,0,0|2,0,0]=4 8970 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100015186262 [0,2,0,0,0,0|2,0,0]=4 8971 B16R1.1143 CCN(C)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100015186262 [0,2,0,0,0,0|2,0,0]=4 8972 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)Br 7a_100009816381_100000212080 [0,2,0,0,0,0|2,0,0]=4 8973 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)C 7a_100009816381_100000739480 [0,2,0,0,0,0|2,0,0]=4 8974 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)Cl 7a_100009816381_100000211444 [0,2,0,0,0,0|2,0,0]=4 8975 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100009816398 [0,2,0,0,0,0|2,0,0]=4 8976 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)F 34a_100011592800_100009816398 [0,2,0,0,0,0|2,0,0]=4 8977 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)F 7a_100011592800_100009816398 [0,2,0,0,0,0|2,0,0]=4 8978 B16R1.1143 CC[C@H](C)COCC(=O)c1cccc(c1)O 7a_100009816381_100009813753 [0,2,0,0,0,0|2,0,0]=4 8979 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100009816398 [0,2,0,0,0,0|2,0,0]=4 8980 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)Br 62a_100009816398_100000212080 [0,2,0,0,0,0|2,0,0]=4 8981 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)C 62a_100000739480_100009816398 [0,2,0,0,0,0|2,0,0]=4 8982 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)C 62a_100009816398_100000739480 [0,2,0,0,0,0|2,0,0]=4 8983 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100009816398 [0,2,0,0,0,0|2,0,0]=4 8984 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)Cl 62a_100009816398_100000211444 [0,2,0,0,0,0|2,0,0]=4 8985 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)F 62a_100000215616_100009816398 [0,2,0,0,0,0|2,0,0]=4 8986 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)F 62a_100009816398_100000215616 [0,2,0,0,0,0|2,0,0]=4 8987 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)O 62a_100009813753_100009816398 [0,2,0,0,0,0|2,0,0]=4 8988 B16R1.1143 CC[C@H](C)CSCC(=O)c1cccc(c1)O 62a_100009816398_100009813753 [0,2,0,0,0,0|2,0,0]=4 8989 B16R1.1143 COC(C)COCC(=O)c1cccc(c1)Br 34a_100000690652_100000212080 [0,2,0,0,0,0|2,0,0]=4 8990 B16R1.1143 COC(C)COCC(=O)c1cccc(c1)C 34a_100000690652_100000739480 [0,2,0,0,0,0|2,0,0]=4 8991 B16R1.1143 COC(C)COCC(=O)c1cccc(c1)Cl 34a_100000690652_100000211444 [0,2,0,0,0,0|2,0,0]=4 8992 B16R1.1143 COC(C)COCC(=O)c1cccc(c1)F 34a_100000690652_100000215616 [0,2,0,0,0,0|2,0,0]=4 8993 B16R1.1143 COC(C)COCC(=O)c1cccc(c1)O 34a_100000690652_100009813753 [0,2,0,0,0,0|2,0,0]=4 8994 B16R1.1143 CO[C@H](C)CNCC(=O)c1cccc(c1)Br 2230a_100020591295_100000212080 [0,2,0,0,0,0|2,0,0]=4 8995 B16R1.1143 CO[C@H](C)CNCC(=O)c1cccc(c1)C 2230a_100020591295_100000739480 [0,2,0,0,0,0|2,0,0]=4 8996 B16R1.1143 CO[C@H](C)CNCC(=O)c1cccc(c1)Cl 2230a_100020591295_100000211444 [0,2,0,0,0,0|2,0,0]=4 8997 B16R1.1143 CO[C@H](C)CNCC(=O)c1cccc(c1)F 2230a_100020591295_100000215616 [0,2,0,0,0,0|2,0,0]=4 8998 B16R1.1143 C[C@@H](CO)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100000059175 [0,2,0,0,0,0|2,0,0]=4 8999 B16R1.1143 C[C@@H](CO)COCC(=O)c1cccc(c1)F 34a_100011592800_100000059175 [0,2,0,0,0,0|2,0,0]=4 9000 B16R1.1143 C[C@@H](CO)COCC(=O)c1cccc(c1)F 7a_100011592800_100000059175 [0,2,0,0,0,0|2,0,0]=4 9001 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)Br 62a_100000059175_100000212080 [0,2,0,0,0,0|2,0,0]=4 9002 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100000059175 [0,2,0,0,0,0|2,0,0]=4 9003 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)Cl 62a_100000059175_100000211444 [0,2,0,0,0,0|2,0,0]=4 9004 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000059175 [0,2,0,0,0,0|2,0,0]=4 9005 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)F 62a_100000059175_100000215616 [0,2,0,0,0,0|2,0,0]=4 9006 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)F 62a_100000215616_100000059175 [0,2,0,0,0,0|2,0,0]=4 9007 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)O 62a_100000059175_100009813753 [0,2,0,0,0,0|2,0,0]=4 9008 B16R1.1143 C[C@@H](CO)CSCC(=O)c1cccc(c1)O 62a_100009813753_100000059175 [0,2,0,0,0,0|2,0,0]=4 9009 B16R1.1143 Cc1cccc(c1)C(=O)CNCC(C)CO 34a_100000744482_100000739480 [0,2,0,0,0,0|2,0,0]=4 9010 B16R1.1143 Cc1cccc(c1)C(=O)COCC(C)CN 34a_100000744482_100000739480 [0,2,0,0,0,0|2,0,0]=4 9011 B16R1.1143 Cc1cccc(c1)C(=O)CSC[C@@H](C)CO 62a_100000059175_100000739480 [0,2,0,0,0,0|2,0,0]=4 9012 B16R1.1143 Cc1cccc(c1)C(=O)CSC[C@@H](C)CO 62a_100000739480_100000059175 [0,2,0,0,0,0|2,0,0]=4 9013 B16R1.1143 Cc1cccc(c1)C(=O)NCCC(C)CO 240690a_106354213184_100000189346 [0,2,0,0,0,0|1,0,0]=3 9014 B16R1.1143 Cc1cccc(c1)C(=O)NCCC(C)CO 527a_106354213184_100000189346 [0,2,0,0,0,0|1,0,0]=3 9015 B16R1.2925 CC(SC[C@@H](C)CO)C(=O)c1ccccc1 62a_100000059175_100000239700 [0,2,0,0,0,0|2,0,0]=4 9016 B16R1.2925 CC(SC[C@@H](C)CO)C(=O)c1ccccc1 62a_100000239700_100000059175 [0,2,0,0,0,0|2,0,0]=4 9017 B16R1.2925 CCC(C)CNC(C)C(=O)c1ccccc1 2230a_100020588543_100000239700 [0,2,0,0,0,0|2,0,0]=4 9018 B16R1.2925 CCC(C)CSC(C)C(=O)c1ccccc1 62a_100000239700_100000748023 [0,2,0,0,0,0|2,0,0]=4 9019 B16R1.2925 CCC(C)CSC(C)C(=O)c1ccccc1 62a_100000748023_100000239700 [0,2,0,0,0,0|2,0,0]=4 9020 B16R1.2925 CCN(C)CCN(C)C(=O)c1ccccc1 2230a_200011982063_100000210202 [0,2,0,0,0,0|2,0,0]=4 9021 B16R1.2925 CCN(C)CCN(C)C(=O)c1ccccc1 269982a_200011982063_100000204670 [0,2,0,0,0,0|2,0,0]=4 9022 B16R1.2925 CC[C@H](C)COC(C)C(=O)c1ccccc1 7a_100009816381_100000239700 [0,2,0,0,0,0|2,0,0]=4 9023 B16R1.2925 CC[C@H](C)CSC(C)C(=O)c1ccccc1 62a_100000239700_100009816398 [0,2,0,0,0,0|2,0,0]=4 9024 B16R1.2925 CC[C@H](C)CSC(C)C(=O)c1ccccc1 62a_100009816398_100000239700 [0,2,0,0,0,0|2,0,0]=4 9025 B16R1.2925 CN(CF)CCN(C)C(=O)c1ccccc1 269982a_200011982063_100015361967 [0,2,0,0,0,0|2,0,0]=4 9026 B16R1.2925 CO[C@H](C)CNC(C)C(=O)c1ccccc1 2230a_100020591295_100000239700 [0,2,0,0,0,0|2,0,0]=4 9027 B16R1.16971 CC(CF)OCCC(=O)c1ccccc1F 7a_100016041109_100000086012 [0,2,0,0,0,0|2,0,0]=4 9028 B16R1.16971 CC(CF)OCCC(=O)c1ccccc1O 7a_100016041109_100009873196 [0,2,0,0,0,0|2,0,0]=4 9029 B16R1.16971 CC(CN)COCC(=O)c1ccccc1Br 34a_100000744482_100000199116 [0,2,0,0,0,0|2,0,0]=4 9030 B16R1.16971 CC(CN)COCC(=O)c1ccccc1Cl 34a_100000744482_100000211432 [0,2,0,0,0,0|2,0,0]=4 9031 B16R1.16971 CC(CN)COCC(=O)c1ccccc1F 34a_100000744482_100000204681 [0,2,0,0,0,0|2,0,0]=4 9032 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1Br 240690a_106354213184_100000188424 [0,2,0,0,0,0|1,0,0]=3 9033 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1Br 527a_106354213184_100000188424 [0,2,0,0,0,0|1,0,0]=3 9034 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1Cl 240690a_106354213184_100000185844 [0,2,0,0,0,0|1,0,0]=3 9035 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1Cl 527a_106354213184_100000185844 [0,2,0,0,0,0|1,0,0]=3 9036 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1F 240690a_106354213184_100000188656 [0,2,0,0,0,0|1,0,0]=3 9037 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1F 527a_106354213184_100000188656 [0,2,0,0,0,0|1,0,0]=3 9038 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1I 240690a_106354213184_100000187884 [0,2,0,0,0,0|1,0,0]=3 9039 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1I 527a_106354213184_100000187884 [0,2,0,0,0,0|1,0,0]=3 9040 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1O 240690a_106354213184_100015234032 [0,2,0,0,0,0|1,0,0]=3 9041 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1[O-] 240690a_106354213184_100009911694 [0,2,0,0,0,0|1,0,0]=3 9042 B16R1.16971 CC(CO)CCNC(=O)c1ccccc1[O-] 527a_106354213184_100009911694 [0,2,0,0,0,0|1,0,0]=3 9043 B16R1.16971 CC(CO)CNCC(=O)c1ccccc1Br 34a_100000744482_100000199116 [0,2,0,0,0,0|2,0,0]=4 9044 B16R1.16971 CC(CO)CNCC(=O)c1ccccc1Cl 34a_100000744482_100000211432 [0,2,0,0,0,0|2,0,0]=4 9045 B16R1.16971 CC(CO)CNCC(=O)c1ccccc1F 34a_100000744482_100000204681 [0,2,0,0,0,0|2,0,0]=4 9046 B16R1.16971 CC(CO)SCCC(=O)c1ccccc1F 62a_100012180447_100000086012 [0,2,0,0,0,0|2,0,0]=4 9047 B16R1.16971 CC(CO)SCCC(=O)c1ccccc1O 62a_100012180447_100009873196 [0,2,0,0,0,0|2,0,0]=4 9048 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Br 11a_100020591266_100000188424 [0,2,0,0,0,0|1,0,0]=3 9049 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Br 1626a_100020591266_100000188424 [0,2,0,0,0,0|1,0,0]=3 9050 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Br 240690a_100020591266_100000188424 [0,2,0,0,0,0|1,0,0]=3 9051 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Br 527a_100020591266_100000188424 [0,2,0,0,0,0|1,0,0]=3 9052 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1C 11a_100020591266_100000212026 [0,2,0,0,0,0|1,0,0]=3 9053 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1C 1626a_100020591266_100000212026 [0,2,0,0,0,0|1,0,0]=3 9054 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1C 240690a_100020591266_100000212026 [0,2,0,0,0,0|1,0,0]=3 9055 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1C 527a_100020591266_100000212026 [0,2,0,0,0,0|1,0,0]=3 9056 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Cl 11a_100020591266_100000185844 [0,2,0,0,0,0|1,0,0]=3 9057 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Cl 1626a_100020591266_100000185844 [0,2,0,0,0,0|1,0,0]=3 9058 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Cl 240690a_100020591266_100000185844 [0,2,0,0,0,0|1,0,0]=3 9059 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1Cl 527a_100020591266_100000185844 [0,2,0,0,0,0|1,0,0]=3 9060 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1F 11a_100020591266_100000188656 [0,2,0,0,0,0|1,0,0]=3 9061 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1F 1626a_100020591266_100000188656 [0,2,0,0,0,0|1,0,0]=3 9062 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1F 240690a_100020591266_100000188656 [0,2,0,0,0,0|1,0,0]=3 9063 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1F 527a_100020591266_100000188656 [0,2,0,0,0,0|1,0,0]=3 9064 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1I 11a_100020591266_100000187884 [0,2,0,0,0,0|1,0,0]=3 9065 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1I 1626a_100020591266_100000187884 [0,2,0,0,0,0|1,0,0]=3 9066 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1I 240690a_100020591266_100000187884 [0,2,0,0,0,0|1,0,0]=3 9067 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1I 527a_100020591266_100000187884 [0,2,0,0,0,0|1,0,0]=3 9068 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1O 240690a_100020591266_100015234032 [0,2,0,0,0,0|1,0,0]=3 9069 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1[O-] 1626a_100020591266_100009911694 [0,2,0,0,0,0|1,0,0]=3 9070 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1[O-] 240690a_100020591266_100009911694 [0,2,0,0,0,0|1,0,0]=3 9071 B16R1.16971 CCC(C)CCNC(=O)c1ccccc1[O-] 527a_100020591266_100009911694 [0,2,0,0,0,0|1,0,0]=3 9072 B16R1.16971 CCC(C)CCOC(C)c1ccccc1Cl 7a_100011215188_100000181259 [0,2,0,0,0,0|1,0,1]=4 9073 B16R1.16971 CCC(C)CCOC(C)c1ccccc1F 7a_100011215188_200000741388 [0,2,0,0,0,0|1,0,1]=4 9074 B16R1.16971 CCC(C)CNCC(=O)c1ccccc1C 2230a_100020588543_100000741374 [0,2,0,0,0,0|2,0,0]=4 9075 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1Br 62a_100000199116_100000748023 [0,2,0,0,0,0|2,0,0]=4 9076 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1C 62a_100000741374_100000748023 [0,2,0,0,0,0|2,0,0]=4 9077 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1C 62a_100000748023_100000741374 [0,2,0,0,0,0|2,0,0]=4 9078 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100000748023 [0,2,0,0,0,0|2,0,0]=4 9079 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1Cl 62a_100000748023_100000211432 [0,2,0,0,0,0|2,0,0]=4 9080 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1F 62a_100000204681_100000748023 [0,2,0,0,0,0|2,0,0]=4 9081 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1F 62a_100000748023_100000204681 [0,2,0,0,0,0|2,0,0]=4 9082 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1O 62a_100000188908_100000748023 [0,2,0,0,0,0|2,0,0]=4 9083 B16R1.16971 CCC(C)CSCC(=O)c1ccccc1O 62a_100000748023_100000188908 [0,2,0,0,0,0|2,0,0]=4 9084 B16R1.16971 CCC(C)NCCC(=O)c1ccccc1F 2230a_100000209981_100000086012 [0,2,0,0,0,0|2,0,0]=4 9085 B16R1.16971 CCC(C)OCCC(=O)c1ccccc1F 7a_100000210228_100000086012 [0,2,0,0,0,0|2,0,0]=4 9086 B16R1.16971 CCC(C)OCCC(=O)c1ccccc1O 7a_100000210228_100009873196 [0,2,0,0,0,0|2,0,0]=4 9087 B16R1.16971 CCC(C)SCCC(=O)c1ccccc1F 62a_100000086012_100000758301 [0,2,0,0,0,0|2,0,0]=4 9088 B16R1.16971 CCC(C)SCCC(=O)c1ccccc1F 62a_100000758301_100000086012 [0,2,0,0,0,0|2,0,0]=4 9089 B16R1.16971 CCC(C)SCCC(=O)c1ccccc1O 62a_100000758301_100009873196 [0,2,0,0,0,0|2,0,0]=4 9090 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100015186262 [0,2,0,0,0,0|2,0,0]=4 9091 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1C 1458a_100000212026_100015186262 [0,2,0,0,0,0|2,0,0]=4 9092 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100015186262 [0,2,0,0,0,0|2,0,0]=4 9093 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100015186262 [0,2,0,0,0,0|2,0,0]=4 9094 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100015186262 [0,2,0,0,0,0|2,0,0]=4 9095 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100015186262 [0,2,0,0,0,0|2,0,0]=4 9096 B16R1.16971 CCN(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100015186262 [0,2,0,0,0,0|2,0,0]=4 9097 B16R1.16971 CC[C@H](C)COCC(=O)c1ccccc1C 7a_100009816381_100000741374 [0,2,0,0,0,0|2,0,0]=4 9098 B16R1.16971 CC[C@H](C)COCC(=O)c1ccccc1F 7a_100009816381_100000204681 [0,2,0,0,0,0|2,0,0]=4 9099 B16R1.16971 CC[C@H](C)COCC(=O)c1ccccc1O 7a_100009816381_100000188908 [0,2,0,0,0,0|2,0,0]=4 9100 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1Br 62a_100000199116_100009816398 [0,2,0,0,0,0|2,0,0]=4 9101 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1C 62a_100000741374_100009816398 [0,2,0,0,0,0|2,0,0]=4 9102 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1C 62a_100009816398_100000741374 [0,2,0,0,0,0|2,0,0]=4 9103 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100009816398 [0,2,0,0,0,0|2,0,0]=4 9104 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1Cl 62a_100009816398_100000211432 [0,2,0,0,0,0|2,0,0]=4 9105 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1F 62a_100000204681_100009816398 [0,2,0,0,0,0|2,0,0]=4 9106 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1F 62a_100009816398_100000204681 [0,2,0,0,0,0|2,0,0]=4 9107 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1O 62a_100000188908_100009816398 [0,2,0,0,0,0|2,0,0]=4 9108 B16R1.16971 CC[C@H](C)CSCC(=O)c1ccccc1O 62a_100009816398_100000188908 [0,2,0,0,0,0|2,0,0]=4 9109 B16R1.16971 COC(C)CCOC(C)c1ccccc1Cl 7a_100000764861_100000181259 [0,2,0,0,0,0|1,0,1]=4 9110 B16R1.16971 COC(C)CCOC(C)c1ccccc1F 7a_100000764861_200000741388 [0,2,0,0,0,0|1,0,1]=4 9111 B16R1.16971 COC(C)COCC(=O)c1ccccc1Br 34a_100000690652_100000199116 [0,2,0,0,0,0|2,0,0]=4 9112 B16R1.16971 COC(C)COCC(=O)c1ccccc1C 34a_100000690652_100000741374 [0,2,0,0,0,0|2,0,0]=4 9113 B16R1.16971 COC(C)COCC(=O)c1ccccc1Cl 34a_100000690652_100000211432 [0,2,0,0,0,0|2,0,0]=4 9114 B16R1.16971 COC(C)COCC(=O)c1ccccc1F 34a_100000690652_100000204681 [0,2,0,0,0,0|2,0,0]=4 9115 B16R1.16971 COC(C)SCCC(=O)c1ccccc1F 62a_100000086012_100009879195 [0,2,0,0,0,0|2,0,0]=4 9116 B16R1.16971 COC(C)SCCC(=O)c1ccccc1F 62a_100009879195_100000086012 [0,2,0,0,0,0|2,0,0]=4 9117 B16R1.16971 COC(C)SCCC(=O)c1ccccc1O 62a_100009879195_100009873196 [0,2,0,0,0,0|2,0,0]=4 9118 B16R1.16971 CO[C@H](C)CNCC(=O)c1ccccc1C 2230a_100020591295_100000741374 [0,2,0,0,0,0|2,0,0]=4 9119 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1Br 62a_100000199116_100000059175 [0,2,0,0,0,0|2,0,0]=4 9120 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1Cl 62a_100000059175_100000211432 [0,2,0,0,0,0|2,0,0]=4 9121 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1Cl 62a_100000211432_100000059175 [0,2,0,0,0,0|2,0,0]=4 9122 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1F 62a_100000059175_100000204681 [0,2,0,0,0,0|2,0,0]=4 9123 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1F 62a_100000204681_100000059175 [0,2,0,0,0,0|2,0,0]=4 9124 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1O 62a_100000059175_100000188908 [0,2,0,0,0,0|2,0,0]=4 9125 B16R1.16971 C[C@@H](CO)CSCC(=O)c1ccccc1O 62a_100000188908_100000059175 [0,2,0,0,0,0|2,0,0]=4 9126 B16R1.16971 C[C@H](CO)NCCC(=O)c1ccccc1F 2230a_100000737577_100000086012 [0,2,0,0,0,0|2,0,0]=4 9127 B16R1.16971 C[C@H](CO)SCCC(=O)c1ccccc1F 62a_100000086012_100016084084 [0,2,0,0,0,0|2,0,0]=4 9128 B16R1.16971 C[C@H](CO)SCCC(=O)c1ccccc1F 62a_100016084084_100000086012 [0,2,0,0,0,0|2,0,0]=4 9129 B16R1.16971 C[C@H](CO)SCCC(=O)c1ccccc1O 62a_100016084084_100009873196 [0,2,0,0,0,0|2,0,0]=4 9130 B16R1.16971 Cc1ccccc1C(=O)CNCC(C)CO 34a_100000744482_100000741374 [0,2,0,0,0,0|2,0,0]=4 9131 B16R1.16971 Cc1ccccc1C(=O)COCC(C)CN 34a_100000744482_100000741374 [0,2,0,0,0,0|2,0,0]=4 9132 B16R1.16971 Cc1ccccc1C(=O)CSC[C@@H](C)CO 62a_100000059175_100000741374 [0,2,0,0,0,0|2,0,0]=4 9133 B16R1.16971 Cc1ccccc1C(=O)CSC[C@@H](C)CO 62a_100000741374_100000059175 [0,2,0,0,0,0|2,0,0]=4 9134 B16R1.16971 Cc1ccccc1C(=O)NCCC(C)CO 240690a_106354213184_100000212026 [0,2,0,0,0,0|1,0,0]=3 9135 B16R1.16971 Cc1ccccc1C(=O)NCCC(C)CO 527a_106354213184_100000212026 [0,2,0,0,0,0|1,0,0]=3 9136 B16R1.626 C#CC(OC(C)CC(C)C)c1ccccc1 34a_100011219616_100000731052 [0,2,0,0,0,0|1,0,1]=4 9137 B16R1.626 C#CC(OC(C)CC(C)C)c1ccccc1 7a_100011219616_100000731052 [0,2,0,0,0,0|1,0,1]=4 9138 B16R1.626 C=CC(OC(C)CC(C)C)c1ccccc1 34a_100011215659_100000731052 [0,2,0,0,0,0|1,0,1]=4 9139 B16R1.626 C=CC(OC(C)CC(C)C)c1ccccc1 7a_100011215659_100000731052 [0,2,0,0,0,0|1,0,1]=4 9140 B16R1.626 CC(C)CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000731052 [0,2,0,0,0,0|1,0,1]=4 9141 B16R1.626 CC(C)CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000731052 [0,2,0,0,0,0|1,0,1]=4 9142 B16R1.626 CC(C)CC(C)OC(CN)c1ccccc1 34a_100000210709_100000731052 [0,2,0,0,0,0|1,0,1]=4 9143 B16R1.626 CC(C)CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000731052 [0,2,0,0,0,0|1,0,1]=4 9144 B16R1.626 CC(C)CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000731052 [0,2,0,0,0,0|1,0,1]=4 9145 B16R1.626 CCC(OC(C)CC(C)C)c1ccccc1 34a_100000698172_100000731052 [0,2,0,0,0,0|1,0,1]=4 9146 B16R1.626 CCC(OC(C)CC(C)C)c1ccccc1 7a_100000698172_100000731052 [0,2,0,0,0,0|1,0,1]=4 9147 B16R1.629 C#CC(CC(C)C)OC(C)c1ccccc1 34a_100011215986_100000211855 [0,2,0,0,0,0|1,0,1]=4 9148 B16R1.629 C#CC(CC(C)C)OC(C)c1ccccc1 7a_100011215986_100000230085 [0,2,0,0,0,0|1,0,1]=4 9149 B16R1.629 C=CC(CC(C)C)OC(C)c1ccccc1 34a_100012186643_100000211855 [0,2,0,0,0,0|1,0,1]=4 9150 B16R1.629 C=CC(CC(C)C)OC(C)c1ccccc1 7a_100012186643_100000230085 [0,2,0,0,0,0|1,0,1]=4 9151 B16R1.629 CC(C)CC(C#N)NC(=O)c1ccccc1 11a_100000741378_100000185807 [0,2,0,0,0,0|1,0,0]=3 9152 B16R1.629 CC(C)CC(C#N)NC(=O)c1ccccc1 1626a_100000741378_100000185807 [0,2,0,0,0,0|1,0,0]=3 9153 B16R1.629 CC(C)CC(C#N)NC(=O)c1ccccc1 240690a_100000741378_100000185807 [0,2,0,0,0,0|1,0,0]=3 9154 B16R1.629 CC(C)CC(C#N)NC(=O)c1ccccc1 527a_100000741378_100000185807 [0,2,0,0,0,0|1,0,0]=3 9155 B16R1.629 CC(C)CC(C#N)OC(C)c1ccccc1 34a_200011294978_100000211855 [0,2,0,0,0,0|1,0,1]=4 9156 B16R1.629 CC(C)CC(C#N)OC(C)c1ccccc1 7a_200011294978_100000230085 [0,2,0,0,0,0|1,0,1]=4 9157 B16R1.629 CC(C)C[C@@H](CO)NC(=O)c1ccccc1 240690a_100011830311_100000185807 [0,2,0,0,0,0|1,0,0]=3 9158 B16R1.629 CC(C)C[C@@H](CO)NC(=O)c1ccccc1 527a_100011830311_100000185807 [0,2,0,0,0,0|1,0,0]=3 9159 B16R1.629 CCN(CC(=O)c1ccccc1)CC(C)C 269982a_100000738554_100000211460 [0,2,0,0,0,0|2,0,0]=4 9160 B16R1.1290 C=C(C(=O)C(C)CC(C)C)c1ccccc1 1458a_100000065200_100000731052 [0,2,0,0,0,0|2,0,0]=4 9161 B16R1.1290 CC(C)CC(=O)C(C)C(=O)c1ccccc1 1458a_100000210554_100000239700 [0,2,0,0,0,0|1,0,1]=4 9162 B16R1.1290 CC(C)CC(C)N(C)C(=O)c1ccccc1 11a_100000745462_100000185807 [0,2,0,0,0,0|1,0,0]=3 9163 B16R1.1290 CC(C)CC(C)N(C)C(=O)c1ccccc1 1626a_100000745462_100000185807 [0,2,0,0,0,0|1,0,0]=3 9164 B16R1.1290 CC(C)CC(C)N(C)C(=O)c1ccccc1 240690a_100000745462_100000185807 [0,2,0,0,0,0|1,0,0]=3 9165 B16R1.1290 CC(C)CC(C)N(C)C(=O)c1ccccc1 527a_100000745462_100000185807 [0,2,0,0,0,0|1,0,0]=3 9166 B16R1.1290 CC(C)CN(C)C(C)C(=O)c1ccccc1 2230a_100000747067_100000239700 [0,2,0,0,0,0|2,0,0]=4 9167 B16R1.1290 CC(C)CN(C)C(C)C(=O)c1ccccc1 269982a_100000747067_100000239700 [0,2,0,0,0,0|2,0,0]=4 9168 B16R1.6742 CC(C)(C)CC(=O)CC(=O)c1ccccc1 1458a_100000211214_100000211460 [0,2,0,0,0,0|1,0,1]=4 9169 B16R1.6742 CC(C)(O)CC(=O)CC(=O)c1ccccc1 1458a_100000693243_100000211460 [0,2,0,0,0,0|1,0,1]=4 9170 B16R1.6742 CC(CC(C)(C)C)OC(C)c1ccccc1 7a_200011218616_100000230085 [0,2,0,0,0,0|1,0,1]=4 9171 B16R1.6742 CN(CC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_100000211460 [0,2,0,0,0,0|2,0,0]=4 9172 B16R1.6742 CN(CC(=O)c1ccccc1)CC(C)(C)O 269982a_100000755907_100000211460 [0,2,0,0,0,0|2,0,0]=4 9173 B16R1.6742 C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1 11a_106358413534_100000185807 [0,2,0,0,0,0|1,0,0]=3 9174 B16R1.6742 C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1 1626a_106358413534_100000185807 [0,2,0,0,0,0|1,0,0]=3 9175 B16R1.6742 C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1 240690a_106358413534_100000185807 [0,2,0,0,0,0|1,0,0]=3 9176 B16R1.6742 C[C@@H](CC(C)(C)C)NC(=O)c1ccccc1 527a_106358413534_100000185807 [0,2,0,0,0,0|1,0,0]=3 9177 B16R1.6742 C[N+](C)(C)CC(O)CC(=O)c1ccccc1 1458a_100000185807_100000032816 [0,2,0,0,0,0|2,0,0]=4 9178 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1Br 1458a_100000210554_100000199116 [0,2,0,0,0,0|1,0,1]=4 9179 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1Cl 1458a_100000210554_100000211432 [0,2,0,0,0,0|1,0,1]=4 9180 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1F 1458a_100000210554_100000204681 [0,2,0,0,0,0|1,0,1]=4 9181 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1O 1458a_100000210554_100000188908 [0,2,0,0,0,0|1,0,1]=4 9182 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Br 11a_100000692259_100000188424 [0,2,0,0,0,0|1,0,0]=3 9183 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Br 1626a_100000692259_100000188424 [0,2,0,0,0,0|1,0,0]=3 9184 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Br 240690a_100000692259_100000188424 [0,2,0,0,0,0|1,0,0]=3 9185 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Br 527a_100000692259_100000188424 [0,2,0,0,0,0|1,0,0]=3 9186 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Cl 11a_100000692259_100000185844 [0,2,0,0,0,0|1,0,0]=3 9187 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Cl 1626a_100000692259_100000185844 [0,2,0,0,0,0|1,0,0]=3 9188 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Cl 240690a_100000692259_100000185844 [0,2,0,0,0,0|1,0,0]=3 9189 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1Cl 527a_100000692259_100000185844 [0,2,0,0,0,0|1,0,0]=3 9190 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1F 11a_100000692259_100000188656 [0,2,0,0,0,0|1,0,0]=3 9191 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1F 1626a_100000692259_100000188656 [0,2,0,0,0,0|1,0,0]=3 9192 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1F 240690a_100000692259_100000188656 [0,2,0,0,0,0|1,0,0]=3 9193 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1F 527a_100000692259_100000188656 [0,2,0,0,0,0|1,0,0]=3 9194 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1I 11a_100000692259_100000187884 [0,2,0,0,0,0|1,0,0]=3 9195 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1I 1626a_100000692259_100000187884 [0,2,0,0,0,0|1,0,0]=3 9196 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1I 240690a_100000692259_100000187884 [0,2,0,0,0,0|1,0,0]=3 9197 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1I 527a_100000692259_100000187884 [0,2,0,0,0,0|1,0,0]=3 9198 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1O 240690a_100000692259_100015234032 [0,2,0,0,0,0|1,0,0]=3 9199 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1[O-] 1626a_100000692259_100009911694 [0,2,0,0,0,0|1,0,0]=3 9200 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1[O-] 240690a_100000692259_100009911694 [0,2,0,0,0,0|1,0,0]=3 9201 B16R1.7437 CC(C)CC(C)NC(=O)c1ccccc1[O-] 527a_100000692259_100009911694 [0,2,0,0,0,0|1,0,0]=3 9202 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000731052 [0,2,0,0,0,0|1,0,1]=4 9203 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000731052 [0,2,0,0,0,0|1,0,1]=4 9204 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000731052 [0,2,0,0,0,0|1,0,1]=4 9205 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1Cl 7a_100000211805_100000181259 [0,2,0,0,0,0|1,0,1]=4 9206 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000731052 [0,2,0,0,0,0|1,0,1]=4 9207 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1F 34a_100000211805_200000741388 [0,2,0,0,0,0|1,0,1]=4 9208 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1F 34a_100000697922_100000731052 [0,2,0,0,0,0|1,0,1]=4 9209 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1F 7a_100000211805_200000741388 [0,2,0,0,0,0|1,0,1]=4 9210 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1F 7a_100000697922_100000731052 [0,2,0,0,0,0|1,0,1]=4 9211 B16R1.7437 CC(C)CC(C)OC(C)c1ccccc1N 7a_100011405641_100000731052 [0,2,0,0,0,0|1,0,1]=4 9212 B16R1.7437 CC(C)CN(C)CC(=O)c1ccccc1Br 269982a_100000747067_100000199116 [0,2,0,0,0,0|2,0,0]=4 9213 B16R1.7437 CC(C)CN(C)CC(=O)c1ccccc1Cl 269982a_100000747067_100000211432 [0,2,0,0,0,0|2,0,0]=4 9214 B16R1.7437 CC(C)CN(C)CC(=O)c1ccccc1F 269982a_100000747067_100000204681 [0,2,0,0,0,0|2,0,0]=4 9215 B16R1.7437 CC(C)CN(C)CC(=O)c1ccccc1O 269982a_100000747067_100000188908 [0,2,0,0,0,0|2,0,0]=4 9216 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Br 11a_100016992788_100000188424 [0,2,0,0,0,0|2,0,0]=4 9217 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Br 240690a_100016992788_100000188424 [0,2,0,0,0,0|2,0,0]=4 9218 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Br 527a_100016992788_100000188424 [0,2,0,0,0,0|2,0,0]=4 9219 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Cl 11a_100016992788_100000185844 [0,2,0,0,0,0|2,0,0]=4 9220 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Cl 240690a_100016992788_100000185844 [0,2,0,0,0,0|2,0,0]=4 9221 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1Cl 527a_100016992788_100000185844 [0,2,0,0,0,0|2,0,0]=4 9222 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1F 11a_100016992788_100000188656 [0,2,0,0,0,0|2,0,0]=4 9223 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1F 240690a_100016992788_100000188656 [0,2,0,0,0,0|2,0,0]=4 9224 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1F 527a_100016992788_100000188656 [0,2,0,0,0,0|2,0,0]=4 9225 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1I 11a_100016992788_100000187884 [0,2,0,0,0,0|2,0,0]=4 9226 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1I 240690a_100016992788_100000187884 [0,2,0,0,0,0|2,0,0]=4 9227 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1I 527a_100016992788_100000187884 [0,2,0,0,0,0|2,0,0]=4 9228 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1O 240690a_100016992788_100015234032 [0,2,0,0,0,0|2,0,0]=4 9229 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1[O-] 240690a_100016992788_100009911694 [0,2,0,0,0,0|2,0,0]=4 9230 B16R1.7437 CC(CN(C)C)NC(=O)c1ccccc1[O-] 527a_100016992788_100009911694 [0,2,0,0,0,0|2,0,0]=4 9231 B16R1.7437 Cc1ccccc1C(=O)CC(=O)CC(C)C 1458a_100000210554_100000741374 [0,2,0,0,0,0|1,0,1]=4 9232 B16R1.7437 Cc1ccccc1C(=O)CN(C)CC(C)C 2230a_100000747067_100000741374 [0,2,0,0,0,0|2,0,0]=4 9233 B16R1.7437 Cc1ccccc1C(=O)CN(C)CC(C)C 269982a_100000747067_100000741374 [0,2,0,0,0,0|2,0,0]=4 9234 B16R1.7437 Cc1ccccc1C(=O)NC(C)CC(C)C 11a_100000692259_100000212026 [0,2,0,0,0,0|1,0,0]=3 9235 B16R1.7437 Cc1ccccc1C(=O)NC(C)CC(C)C 1626a_100000692259_100000212026 [0,2,0,0,0,0|1,0,0]=3 9236 B16R1.7437 Cc1ccccc1C(=O)NC(C)CC(C)C 240690a_100000692259_100000212026 [0,2,0,0,0,0|1,0,0]=3 9237 B16R1.7437 Cc1ccccc1C(=O)NC(C)CC(C)C 527a_100000692259_100000212026 [0,2,0,0,0,0|1,0,0]=3 9238 B16R1.7437 Cc1ccccc1C(=O)NC(C)CN(C)C 11a_100016992788_100000212026 [0,2,0,0,0,0|2,0,0]=4 9239 B16R1.7437 Cc1ccccc1C(=O)NC(C)CN(C)C 240690a_100016992788_100000212026 [0,2,0,0,0,0|2,0,0]=4 9240 B16R1.7437 Cc1ccccc1C(=O)NC(C)CN(C)C 527a_100016992788_100000212026 [0,2,0,0,0,0|2,0,0]=4 9241 B16R1.7437 Cc1ccccc1C(C)OC(C)CC(C)C 34a_100000742021_100000731052 [0,2,0,0,0,0|1,0,1]=4 9242 B16R1.7437 Cc1ccccc1C(C)OC(C)CC(C)C 7a_100000742021_100000731052 [0,2,0,0,0,0|1,0,1]=4 9243 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210554_100000212080 [0,2,0,0,0,0|1,0,1]=4 9244 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210554_100000211444 [0,2,0,0,0,0|1,0,1]=4 9245 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)F 1458a_100000210554_100000215616 [0,2,0,0,0,0|1,0,1]=4 9246 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)O 1458a_100000210554_100009813753 [0,2,0,0,0,0|1,0,1]=4 9247 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Br 11a_100000692259_100000210664 [0,2,0,0,0,0|1,0,0]=3 9248 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Br 1626a_100000692259_100000210664 [0,2,0,0,0,0|1,0,0]=3 9249 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Br 240690a_100000692259_100000210664 [0,2,0,0,0,0|1,0,0]=3 9250 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Br 527a_100000692259_100000210664 [0,2,0,0,0,0|1,0,0]=3 9251 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Cl 11a_100000692259_100000210390 [0,2,0,0,0,0|1,0,0]=3 9252 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Cl 1626a_100000692259_100000210390 [0,2,0,0,0,0|1,0,0]=3 9253 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Cl 240690a_100000692259_100000210390 [0,2,0,0,0,0|1,0,0]=3 9254 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)Cl 527a_100000692259_100000210390 [0,2,0,0,0,0|1,0,0]=3 9255 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)F 11a_100000692259_100000210950 [0,2,0,0,0,0|1,0,0]=3 9256 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)F 1626a_100000692259_100000210950 [0,2,0,0,0,0|1,0,0]=3 9257 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)F 240690a_100000692259_100000210950 [0,2,0,0,0,0|1,0,0]=3 9258 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)F 527a_100000692259_100000210950 [0,2,0,0,0,0|1,0,0]=3 9259 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)I 11a_100000692259_100000184098 [0,2,0,0,0,0|1,0,0]=3 9260 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)I 1626a_100000692259_100000184098 [0,2,0,0,0,0|1,0,0]=3 9261 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)I 240690a_100000692259_100000184098 [0,2,0,0,0,0|1,0,0]=3 9262 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)I 527a_100000692259_100000184098 [0,2,0,0,0,0|1,0,0]=3 9263 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)O 240690a_100000692259_100000183914 [0,2,0,0,0,0|1,0,0]=3 9264 B16R1.11195 CC(C)CC(C)NC(=O)c1cccc(c1)O 527a_100000692259_100000183914 [0,2,0,0,0,0|1,0,0]=3 9265 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000731052 [0,2,0,0,0,0|1,0,1]=4 9266 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000731052 [0,2,0,0,0,0|1,0,1]=4 9267 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000731052 [0,2,0,0,0,0|1,0,1]=4 9268 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000731052 [0,2,0,0,0,0|1,0,1]=4 9269 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000731052 [0,2,0,0,0,0|1,0,1]=4 9270 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000731052 [0,2,0,0,0,0|1,0,1]=4 9271 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000731052 [0,2,0,0,0,0|1,0,1]=4 9272 B16R1.11195 CC(C)CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000731052 [0,2,0,0,0,0|1,0,1]=4 9273 B16R1.11195 CC(C)CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000731052 [0,2,0,0,0,0|1,0,1]=4 9274 B16R1.11195 CC(C)CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000731052 [0,2,0,0,0,0|1,0,1]=4 9275 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)Br 2230a_100000747067_100000212080 [0,2,0,0,0,0|2,0,0]=4 9276 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)Br 269982a_100000747067_100000212080 [0,2,0,0,0,0|2,0,0]=4 9277 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)Cl 2230a_100000747067_100000211444 [0,2,0,0,0,0|2,0,0]=4 9278 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)Cl 269982a_100000747067_100000211444 [0,2,0,0,0,0|2,0,0]=4 9279 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)F 2230a_100000747067_100000215616 [0,2,0,0,0,0|2,0,0]=4 9280 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)F 269982a_100000747067_100000215616 [0,2,0,0,0,0|2,0,0]=4 9281 B16R1.11195 CC(C)CN(C)CC(=O)c1cccc(c1)O 269982a_100000747067_100009813753 [0,2,0,0,0,0|2,0,0]=4 9282 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Br 11a_100016992788_100000210664 [0,2,0,0,0,0|2,0,0]=4 9283 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Br 240690a_100016992788_100000210664 [0,2,0,0,0,0|2,0,0]=4 9284 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Br 527a_100016992788_100000210664 [0,2,0,0,0,0|2,0,0]=4 9285 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Cl 11a_100016992788_100000210390 [0,2,0,0,0,0|2,0,0]=4 9286 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Cl 240690a_100016992788_100000210390 [0,2,0,0,0,0|2,0,0]=4 9287 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)Cl 527a_100016992788_100000210390 [0,2,0,0,0,0|2,0,0]=4 9288 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)F 11a_100016992788_100000210950 [0,2,0,0,0,0|2,0,0]=4 9289 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)F 240690a_100016992788_100000210950 [0,2,0,0,0,0|2,0,0]=4 9290 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)F 527a_100016992788_100000210950 [0,2,0,0,0,0|2,0,0]=4 9291 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)I 11a_100016992788_100000184098 [0,2,0,0,0,0|2,0,0]=4 9292 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)I 240690a_100016992788_100000184098 [0,2,0,0,0,0|2,0,0]=4 9293 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)I 527a_100016992788_100000184098 [0,2,0,0,0,0|2,0,0]=4 9294 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)O 240690a_100016992788_100000183914 [0,2,0,0,0,0|2,0,0]=4 9295 B16R1.11195 CC(CN(C)C)NC(=O)c1cccc(c1)O 527a_100016992788_100000183914 [0,2,0,0,0,0|2,0,0]=4 9296 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000739480 [0,2,0,0,0,0|1,0,1]=4 9297 B16R1.11195 Cc1cccc(c1)C(=O)CN(C)CC(C)C 2230a_100000747067_100000739480 [0,2,0,0,0,0|2,0,0]=4 9298 B16R1.11195 Cc1cccc(c1)C(=O)CN(C)CC(C)C 269982a_100000747067_100000739480 [0,2,0,0,0,0|2,0,0]=4 9299 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CC(C)C 11a_100000692259_100000189346 [0,2,0,0,0,0|1,0,0]=3 9300 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CC(C)C 1626a_100000692259_100000189346 [0,2,0,0,0,0|1,0,0]=3 9301 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CC(C)C 240690a_100000692259_100000189346 [0,2,0,0,0,0|1,0,0]=3 9302 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CC(C)C 527a_100000692259_100000189346 [0,2,0,0,0,0|1,0,0]=3 9303 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CN(C)C 11a_100016992788_100000189346 [0,2,0,0,0,0|2,0,0]=4 9304 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CN(C)C 240690a_100016992788_100000189346 [0,2,0,0,0,0|2,0,0]=4 9305 B16R1.11195 Cc1cccc(c1)C(=O)NC(C)CN(C)C 527a_100016992788_100000189346 [0,2,0,0,0,0|2,0,0]=4 9306 B16R1.11195 Cc1cccc(c1)C(C)OC(C)CC(C)C 34a_100000757818_100000731052 [0,2,0,0,0,0|1,0,1]=4 9307 B16R1.11195 Cc1cccc(c1)C(C)OC(C)CC(C)C 7a_100000757818_100000731052 [0,2,0,0,0,0|1,0,1]=4 9308 B16R1.18142 CC(C)CC(C)(C)NC(=O)c1ccccc1 11a_100011346068_100000185807 [0,2,0,0,0,0|1,0,0]=3 9309 B16R1.18142 CC(C)CC(C)(C)NC(=O)c1ccccc1 1626a_100011346068_100000185807 [0,2,0,0,0,0|1,0,0]=3 9310 B16R1.18142 CC(C)CC(C)(C)NC(=O)c1ccccc1 240690a_100011346068_100000185807 [0,2,0,0,0,0|1,0,0]=3 9311 B16R1.18142 CC(C)CC(C)(C)NC(=O)c1ccccc1 527a_100011346068_100000185807 [0,2,0,0,0,0|1,0,0]=3 9312 B16R1.18142 CC(C)CS(=O)(=O)NC(=O)c1ccccc1 2740a_100000748329_100000185807 [0,2,0,0,0,0|2,0,0]=4 9313 B16R1.18142 CN(C)CC(C)(C)NC(=O)c1ccccc1 11a_100015183317_100000185807 [0,2,0,0,0,0|2,0,0]=4 9314 B16R1.18142 CN(C)CC(C)(C)NC(=O)c1ccccc1 1626a_100015183317_100000185807 [0,2,0,0,0,0|2,0,0]=4 9315 B16R1.18142 CN(C)CC(C)(C)NC(=O)c1ccccc1 240690a_100015183317_100000185807 [0,2,0,0,0,0|2,0,0]=4 9316 B16R1.18142 CN(C)CC(C)(C)NC(=O)c1ccccc1 527a_100015183317_100000185807 [0,2,0,0,0,0|2,0,0]=4 9317 B16R1.616 C=C(C(=O)CCC(C)(C)C)c1ccccc1 1458a_100000065200_100000755188 [0,2,0,0,0,0|2,0,0]=4 9318 B16R1.616 CC(NCC(C)(C)C)C(=O)c1ccccc1 2230a_100000743828_100000239700 [0,2,0,0,0,0|2,0,0]=4 9319 B16R1.616 CC(NCC(C)(C)F)C(=O)c1ccccc1 2230a_100020643315_100000239700 [0,2,0,0,0,0|2,0,0]=4 9320 B16R1.616 CC(NCC(C)(C)O)C(=O)c1ccccc1 2230a_100000751335_100000239700 [0,2,0,0,0,0|2,0,0]=4 9321 B16R1.616 CC(SCC(C)(C)C)C(=O)c1ccccc1 62a_100000239700_100011219605 [0,2,0,0,0,0|2,0,0]=4 9322 B16R1.616 CC(SCC(C)(C)C)C(=O)c1ccccc1 62a_100011219605_100000239700 [0,2,0,0,0,0|2,0,0]=4 9323 B16R1.616 CC(SCC(C)(C)F)C(=O)c1ccccc1 62a_100000239700_100011997219 [0,2,0,0,0,0|2,0,0]=4 9324 B16R1.616 CC(SCC(C)(C)F)C(=O)c1ccccc1 62a_100011997219_100000239700 [0,2,0,0,0,0|2,0,0]=4 9325 B16R1.616 CC(SCC(C)(C)O)C(=O)c1ccccc1 62a_100000239700_100000764493 [0,2,0,0,0,0|2,0,0]=4 9326 B16R1.616 CC(SCC(C)(C)O)C(=O)c1ccccc1 62a_100000764493_100000239700 [0,2,0,0,0,0|2,0,0]=4 9327 B16R1.760 CCN(CCC(C)C)C(=O)c1ccccc1 11a_100000207693_100000185807 [0,2,0,0,0,0|1,0,0]=3 9328 B16R1.760 CCN(CCC(C)C)C(=O)c1ccccc1 1626a_100000207693_100000185807 [0,2,0,0,0,0|1,0,0]=3 9329 B16R1.760 CCN(CCC(C)C)C(=O)c1ccccc1 240690a_100000207693_100000185807 [0,2,0,0,0,0|1,0,0]=3 9330 B16R1.760 CCN(CCC(C)C)C(=O)c1ccccc1 527a_100000207693_100000185807 [0,2,0,0,0,0|1,0,0]=3 9331 B16R1.760 CCN(CCN(C)C)C(=O)c1ccccc1 240690a_100000225870_100000185807 [0,2,0,0,0,0|2,0,0]=4 9332 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100011261404 [0,2,0,0,0,0|1,0,0]=3 9333 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100011261404 [0,2,0,0,0,0|1,0,0]=3 9334 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1F 1458a_100000188656_100011261404 [0,2,0,0,0,0|1,0,0]=3 9335 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1I 1458a_100000187884_100011261404 [0,2,0,0,0,0|1,0,0]=3 9336 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1O 1458a_100015234032_100011261404 [0,2,0,0,0,0|1,0,0]=3 9337 B16R1.10818 CC(C)CCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100011261404 [0,2,0,0,0,0|1,0,0]=3 9338 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Br 11a_100000742789_100000188424 [0,2,0,0,0,0|1,0,0]=3 9339 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Br 1626a_100000742789_100000188424 [0,2,0,0,0,0|1,0,0]=3 9340 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Br 240690a_100000742789_100000188424 [0,2,0,0,0,0|1,0,0]=3 9341 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Br 527a_100000742789_100000188424 [0,2,0,0,0,0|1,0,0]=3 9342 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Cl 11a_100000742789_100000185844 [0,2,0,0,0,0|1,0,0]=3 9343 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Cl 1626a_100000742789_100000185844 [0,2,0,0,0,0|1,0,0]=3 9344 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Cl 240690a_100000742789_100000185844 [0,2,0,0,0,0|1,0,0]=3 9345 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1Cl 527a_100000742789_100000185844 [0,2,0,0,0,0|1,0,0]=3 9346 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1F 11a_100000742789_100000188656 [0,2,0,0,0,0|1,0,0]=3 9347 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1F 1626a_100000742789_100000188656 [0,2,0,0,0,0|1,0,0]=3 9348 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1F 240690a_100000742789_100000188656 [0,2,0,0,0,0|1,0,0]=3 9349 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1F 527a_100000742789_100000188656 [0,2,0,0,0,0|1,0,0]=3 9350 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1I 11a_100000742789_100000187884 [0,2,0,0,0,0|1,0,0]=3 9351 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1I 1626a_100000742789_100000187884 [0,2,0,0,0,0|1,0,0]=3 9352 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1I 240690a_100000742789_100000187884 [0,2,0,0,0,0|1,0,0]=3 9353 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1I 527a_100000742789_100000187884 [0,2,0,0,0,0|1,0,0]=3 9354 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1O 240690a_100000742789_100015234032 [0,2,0,0,0,0|1,0,0]=3 9355 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1[O-] 1626a_100000742789_100009911694 [0,2,0,0,0,0|1,0,0]=3 9356 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1[O-] 240690a_100000742789_100009911694 [0,2,0,0,0,0|1,0,0]=3 9357 B16R1.10818 CC(C)CCN(C)C(=O)c1ccccc1[O-] 527a_100000742789_100009911694 [0,2,0,0,0,0|1,0,0]=3 9358 B16R1.10818 CC(C)CNC(C)C(=O)c1ccccc1Cl 2230a_100000210953_100010255250 [0,2,0,0,0,0|2,0,0]=4 9359 B16R1.10818 CC(C)CSC(C)C(=O)c1ccccc1Cl 62a_100000210624_100010255250 [0,2,0,0,0,0|2,0,0]=4 9360 B16R1.10818 CC(C)CSC(C)C(=O)c1ccccc1Cl 62a_100010255250_100000210760 [0,2,0,0,0,0|2,0,0]=4 9361 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1Br 240690a_100000225618_100000188424 [0,2,0,0,0,0|2,0,0]=4 9362 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1Br 527a_100000225618_100000188424 [0,2,0,0,0,0|2,0,0]=4 9363 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1Cl 240690a_100000225618_100000185844 [0,2,0,0,0,0|2,0,0]=4 9364 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1Cl 527a_100000225618_100000185844 [0,2,0,0,0,0|2,0,0]=4 9365 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1F 240690a_100000225618_100000188656 [0,2,0,0,0,0|2,0,0]=4 9366 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1F 527a_100000225618_100000188656 [0,2,0,0,0,0|2,0,0]=4 9367 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1I 240690a_100000225618_100000187884 [0,2,0,0,0,0|2,0,0]=4 9368 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1I 527a_100000225618_100000187884 [0,2,0,0,0,0|2,0,0]=4 9369 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1O 240690a_100000225618_100015234032 [0,2,0,0,0,0|2,0,0]=4 9370 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1[O-] 240690a_100000225618_100009911694 [0,2,0,0,0,0|2,0,0]=4 9371 B16R1.10818 CN(C)CCN(C)C(=O)c1ccccc1[O-] 527a_100000225618_100009911694 [0,2,0,0,0,0|2,0,0]=4 9372 B16R1.10818 Cc1ccccc1C(=O)C(C)CCC(C)C 1458a_100000212026_100011261404 [0,2,0,0,0,0|1,0,0]=3 9373 B16R1.10818 Cc1ccccc1C(=O)N(C)CCC(C)C 11a_100000742789_100000212026 [0,2,0,0,0,0|1,0,0]=3 9374 B16R1.10818 Cc1ccccc1C(=O)N(C)CCC(C)C 1626a_100000742789_100000212026 [0,2,0,0,0,0|1,0,0]=3 9375 B16R1.10818 Cc1ccccc1C(=O)N(C)CCC(C)C 240690a_100000742789_100000212026 [0,2,0,0,0,0|1,0,0]=3 9376 B16R1.10818 Cc1ccccc1C(=O)N(C)CCC(C)C 527a_100000742789_100000212026 [0,2,0,0,0,0|1,0,0]=3 9377 B16R1.10818 Cc1ccccc1C(=O)N(C)CCN(C)C 240690a_100000225618_100000212026 [0,2,0,0,0,0|2,0,0]=4 9378 B16R1.10818 Cc1ccccc1C(=O)N(C)CCN(C)C 527a_100000225618_100000212026 [0,2,0,0,0,0|2,0,0]=4 9379 B16R1.11187 CC(C)CCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100011261404 [0,2,0,0,0,0|1,0,0]=3 9380 B16R1.11187 CC(C)CCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100011261404 [0,2,0,0,0,0|1,0,0]=3 9381 B16R1.11187 CC(C)CCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100011261404 [0,2,0,0,0,0|1,0,0]=3 9382 B16R1.11187 CC(C)CCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100011261404 [0,2,0,0,0,0|1,0,0]=3 9383 B16R1.11187 CC(C)CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100011261404 [0,2,0,0,0,0|1,0,0]=3 9384 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Br 11a_100000742789_100000210664 [0,2,0,0,0,0|1,0,0]=3 9385 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Br 1626a_100000742789_100000210664 [0,2,0,0,0,0|1,0,0]=3 9386 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Br 240690a_100000742789_100000210664 [0,2,0,0,0,0|1,0,0]=3 9387 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Br 527a_100000742789_100000210664 [0,2,0,0,0,0|1,0,0]=3 9388 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Cl 11a_100000742789_100000210390 [0,2,0,0,0,0|1,0,0]=3 9389 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Cl 1626a_100000742789_100000210390 [0,2,0,0,0,0|1,0,0]=3 9390 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Cl 240690a_100000742789_100000210390 [0,2,0,0,0,0|1,0,0]=3 9391 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)Cl 527a_100000742789_100000210390 [0,2,0,0,0,0|1,0,0]=3 9392 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)F 11a_100000742789_100000210950 [0,2,0,0,0,0|1,0,0]=3 9393 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)F 1626a_100000742789_100000210950 [0,2,0,0,0,0|1,0,0]=3 9394 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)F 240690a_100000742789_100000210950 [0,2,0,0,0,0|1,0,0]=3 9395 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)F 527a_100000742789_100000210950 [0,2,0,0,0,0|1,0,0]=3 9396 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)I 11a_100000742789_100000184098 [0,2,0,0,0,0|1,0,0]=3 9397 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)I 1626a_100000742789_100000184098 [0,2,0,0,0,0|1,0,0]=3 9398 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)I 240690a_100000742789_100000184098 [0,2,0,0,0,0|1,0,0]=3 9399 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)I 527a_100000742789_100000184098 [0,2,0,0,0,0|1,0,0]=3 9400 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)O 240690a_100000742789_100000183914 [0,2,0,0,0,0|1,0,0]=3 9401 B16R1.11187 CC(C)CCN(C)C(=O)c1cccc(c1)O 527a_100000742789_100000183914 [0,2,0,0,0,0|1,0,0]=3 9402 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)Br 2230a_100000210953_100012349134 [0,2,0,0,0,0|2,0,0]=4 9403 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)Br 34a_100000210953_100012349134 [0,2,0,0,0,0|2,0,0]=4 9404 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)Cl 2230a_100000210953_100000184413 [0,2,0,0,0,0|2,0,0]=4 9405 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)Cl 34a_100000210953_100000184413 [0,2,0,0,0,0|2,0,0]=4 9406 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)F 2230a_100000210953_100012356231 [0,2,0,0,0,0|2,0,0]=4 9407 B16R1.11187 CC(C)CNC(C)C(=O)c1cccc(c1)F 34a_100000210953_100012356231 [0,2,0,0,0,0|2,0,0]=4 9408 B16R1.11187 CC(C)COC(C)C(=O)c1cccc(c1)Br 34a_100000210257_100012349134 [0,2,0,0,0,0|2,0,0]=4 9409 B16R1.11187 CC(C)COC(C)C(=O)c1cccc(c1)Cl 34a_100000210257_100000184413 [0,2,0,0,0,0|2,0,0]=4 9410 B16R1.11187 CC(C)COC(C)C(=O)c1cccc(c1)F 34a_100000210257_100012356231 [0,2,0,0,0,0|2,0,0]=4 9411 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)Br 62a_100000210624_100012349134 [0,2,0,0,0,0|2,0,0]=4 9412 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_100000210760 [0,2,0,0,0,0|2,0,0]=4 9413 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_100000210760 [0,2,0,0,0,0|2,0,0]=4 9414 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)Cl 62a_100000210624_100000184413 [0,2,0,0,0,0|2,0,0]=4 9415 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)F 62a_100000210624_100012356231 [0,2,0,0,0,0|2,0,0]=4 9416 B16R1.11187 CC(C)CSC(C)C(=O)c1cccc(c1)F 62a_100012356231_100000210760 [0,2,0,0,0,0|2,0,0]=4 9417 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)Br 240690a_100000225618_100000210664 [0,2,0,0,0,0|2,0,0]=4 9418 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)Br 527a_100000225618_100000210664 [0,2,0,0,0,0|2,0,0]=4 9419 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)Cl 240690a_100000225618_100000210390 [0,2,0,0,0,0|2,0,0]=4 9420 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)Cl 527a_100000225618_100000210390 [0,2,0,0,0,0|2,0,0]=4 9421 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)F 240690a_100000225618_100000210950 [0,2,0,0,0,0|2,0,0]=4 9422 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)F 527a_100000225618_100000210950 [0,2,0,0,0,0|2,0,0]=4 9423 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)I 240690a_100000225618_100000184098 [0,2,0,0,0,0|2,0,0]=4 9424 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)I 527a_100000225618_100000184098 [0,2,0,0,0,0|2,0,0]=4 9425 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)O 240690a_100000225618_100000183914 [0,2,0,0,0,0|2,0,0]=4 9426 B16R1.11187 CN(C)CCN(C)C(=O)c1cccc(c1)O 527a_100000225618_100000183914 [0,2,0,0,0,0|2,0,0]=4 9427 B16R1.11187 Cc1cccc(c1)C(=O)C(C)CCC(C)C 1458a_100000189346_100011261404 [0,2,0,0,0,0|1,0,0]=3 9428 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCC(C)C 11a_100000742789_100000189346 [0,2,0,0,0,0|1,0,0]=3 9429 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCC(C)C 1626a_100000742789_100000189346 [0,2,0,0,0,0|1,0,0]=3 9430 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCC(C)C 240690a_100000742789_100000189346 [0,2,0,0,0,0|1,0,0]=3 9431 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCC(C)C 527a_100000742789_100000189346 [0,2,0,0,0,0|1,0,0]=3 9432 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCN(C)C 240690a_100000225618_100000189346 [0,2,0,0,0,0|2,0,0]=4 9433 B16R1.11187 Cc1cccc(c1)C(=O)N(C)CCN(C)C 527a_100000225618_100000189346 [0,2,0,0,0,0|2,0,0]=4 9434 B16R1.18152 CC(C)CCC(C)(C)C(=O)c1ccccc1 1458a_100000185807_200000037585 [0,2,0,0,0,0|1,0,0]=3 9435 B16R1.18152 CC(C)CNC(C)(C)C(=O)c1ccccc1 2230a_100000210953_200009813919 [0,2,0,0,0,0|2,0,0]=4 9436 B16R1.18152 CC(C)COC(C)(C)C(=O)c1ccccc1 34a_100011217161_100000210624 [0,2,0,0,0,0|2,0,0]=4 9437 B16R1.18152 CC(C)COC(C)(C)C(=O)c1ccccc1 7a_100011217161_100000210760 [0,2,0,0,0,0|2,0,0]=4 9438 B16R1.18152 CC(C)CSC(C)(C)C(=O)c1ccccc1 62a_100000210624_200009813919 [0,2,0,0,0,0|2,0,0]=4 9439 B16R1.18152 CC(C)CSC(C)(C)C(=O)c1ccccc1 62a_200009813919_100000210760 [0,2,0,0,0,0|2,0,0]=4 9440 B16R1.18152 CC(C)CSC(F)(F)C(=O)c1ccccc1 62a_100000210624_100011214938 [0,2,0,0,0,0|2,0,0]=4 9441 B16R1.18152 CC(C)CSC(F)(F)C(=O)c1ccccc1 62a_100011214938_100000210760 [0,2,0,0,0,0|2,0,0]=4 9442 B16R1.2932 C#CC(OCCC(C)(C)C)c1ccccc1 34a_100011219616_100000755188 [0,2,0,0,0,0|1,0,1]=4 9443 B16R1.2932 C#CC(OCCC(C)(C)C)c1ccccc1 7a_100011219616_100000755188 [0,2,0,0,0,0|1,0,1]=4 9444 B16R1.2932 C#CC(OCCC(C)(C)O)c1ccccc1 34a_100011219616_100000702414 [0,2,0,0,0,0|1,0,1]=4 9445 B16R1.2932 C#CC(OCCC(C)(C)O)c1ccccc1 7a_100011219616_100000702414 [0,2,0,0,0,0|1,0,1]=4 9446 B16R1.2932 C=CC(OCCC(C)(C)C)c1ccccc1 34a_100011215659_100000755188 [0,2,0,0,0,0|1,0,1]=4 9447 B16R1.2932 C=CC(OCCC(C)(C)C)c1ccccc1 7a_100011215659_100000755188 [0,2,0,0,0,0|1,0,1]=4 9448 B16R1.2932 C=CC(OCCC(C)(C)O)c1ccccc1 34a_100011215659_100000702414 [0,2,0,0,0,0|1,0,1]=4 9449 B16R1.2932 C=CC(OCCC(C)(C)O)c1ccccc1 7a_100011215659_100000702414 [0,2,0,0,0,0|1,0,1]=4 9450 B16R1.2932 CC(C)(C)CCOC(C#N)c1ccccc1 7a_100011217353_100000755188 [0,2,0,0,0,0|1,0,1]=4 9451 B16R1.2932 CC(C)(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000755188 [0,2,0,0,0,0|1,0,1]=4 9452 B16R1.2932 CC(C)(C)CCOC(CN)c1ccccc1 34a_100000210709_100000755188 [0,2,0,0,0,0|1,0,1]=4 9453 B16R1.2932 CC(C)(C)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000755188 [0,2,0,0,0,0|1,0,1]=4 9454 B16R1.2932 CC(C)(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000755188 [0,2,0,0,0,0|1,0,1]=4 9455 B16R1.2932 CC(C)(O)CCOC(C#N)c1ccccc1 7a_100011217353_100000702414 [0,2,0,0,0,0|1,0,1]=4 9456 B16R1.2932 CC(C)(O)CCOC(CBr)c1ccccc1 7a_100000185958_100000702414 [0,2,0,0,0,0|1,0,1]=4 9457 B16R1.2932 CC(C)(O)CCOC(CN)c1ccccc1 34a_100000210709_100000702414 [0,2,0,0,0,0|1,0,1]=4 9458 B16R1.2932 CC(C)(O)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000702414 [0,2,0,0,0,0|1,0,1]=4 9459 B16R1.2932 CC(C)(O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000702414 [0,2,0,0,0,0|1,0,1]=4 9460 B16R1.2932 CCC(OCCC(C)(C)C)c1ccccc1 34a_100000698172_100000755188 [0,2,0,0,0,0|1,0,1]=4 9461 B16R1.2932 CCC(OCCC(C)(C)C)c1ccccc1 7a_100000698172_100000755188 [0,2,0,0,0,0|1,0,1]=4 9462 B16R1.2932 CCC(OCCC(C)(C)O)c1ccccc1 34a_100000698172_100000702414 [0,2,0,0,0,0|1,0,1]=4 9463 B16R1.2932 CCC(OCCC(C)(C)O)c1ccccc1 7a_100000698172_100000702414 [0,2,0,0,0,0|1,0,1]=4 9464 B16R1.4635 C=CCC(OCCC(C)C)c1ccccc1 34a_100000687291_100000210312 [0,2,0,0,0,0|1,0,1]=4 9465 B16R1.4635 C=CCC(OCCC(C)C)c1ccccc1 7a_100000687291_100000210626 [0,2,0,0,0,0|1,0,1]=4 9466 B16R1.4635 CC(C)CCOC(CCCl)c1ccccc1 7a_100000210254_200010132975 [0,2,0,0,0,0|1,0,1]=4 9467 B16R1.4635 CC(C)CCOC(CCN)c1ccccc1 34a_100000763605_100000210312 [0,2,0,0,0,0|1,0,1]=4 9468 B16R1.4635 CC(C)CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210626 [0,2,0,0,0,0|1,0,1]=4 9469 B16R1.4635 CC(C)CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210312 [0,2,0,0,0,0|1,0,1]=4 9470 B16R1.4635 CC(C)CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210626 [0,2,0,0,0,0|1,0,1]=4 9471 B16R1.4635 CCCC(OCCC(C)C)c1ccccc1 34a_100000747916_100000210312 [0,2,0,0,0,0|1,0,1]=4 9472 B16R1.4635 CCCC(OCCC(C)C)c1ccccc1 7a_100000747916_100000210626 [0,2,0,0,0,0|1,0,1]=4 9473 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)Cl 34a_100000766619_100000210312 [0,2,0,0,0,0|1,0,1]=4 9474 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)Cl 7a_100000766619_100000210626 [0,2,0,0,0,0|1,0,1]=4 9475 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)F 34a_100011350881_100000210312 [0,2,0,0,0,0|1,0,1]=4 9476 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)F 7a_100011350881_100000210626 [0,2,0,0,0,0|1,0,1]=4 9477 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)I 34a_200013212081_100000210312 [0,2,0,0,0,0|1,0,1]=4 9478 B16R1.6619 CCC(OCCC(C)C)c1cccc(c1)I 7a_200013212081_100000210626 [0,2,0,0,0,0|1,0,1]=4 9479 B16R1.12528 C=C(C)C(OCCC(C)C)c1ccccc1 34a_200011216824_100000210312 [0,2,0,0,0,0|1,0,1]=4 9480 B16R1.12528 C=C(C)C(OCCC(C)C)c1ccccc1 7a_200011216824_100000210626 [0,2,0,0,0,0|1,0,1]=4 9481 B16R1.12528 CC(=O)C(OCCC(C)C)c1ccccc1 1458a_100011223345_200000210301 [0,2,0,0,0,0|0,0,1]=3 9482 B16R1.12528 CC(=O)C(OCCC(C)C)c1ccccc1 7a_100000210254_100009888967 [0,2,0,0,0,0|0,0,1]=3 9483 B16R1.12528 CC(=O)C(SCCC(C)C)c1ccccc1 62a_100000210312_100009888967 [0,2,0,0,0,0|0,1,1]=4 9484 B16R1.12528 CC(=O)C(SCCC(C)C)c1ccccc1 62a_100009888967_100000210312 [0,2,0,0,0,0|0,1,1]=4 9485 B16R1.12528 CC(C)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210312 [0,2,0,0,0,0|1,0,1]=4 9486 B16R1.12528 CC(C)CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210312 [0,2,0,0,0,0|1,0,1]=4 9487 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210312 [0,2,0,0,0,0|0,0,1]=3 9488 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 7a_100000210254_100000188848 [0,2,0,0,0,0|0,0,1]=3 9489 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210626 [0,2,0,0,0,0|0,0,1]=3 9490 B16R1.12528 CC(C)CCOC(C(=O)[13CH3])c1ccccc1 1458a_100011223345_200025704644 [0,2,0,0,0,0|0,0,1]=3 9491 B16R1.12528 CC(C)CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210312 [0,2,0,0,0,0|1,0,1]=4 9492 B16R1.12528 CC(C)CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210626 [0,2,0,0,0,0|1,0,1]=4 9493 B16R1.12528 CC(C)CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210312 [0,2,0,0,0,0|0,1,1]=4 9494 B16R1.12528 CC(C)CCSC(C(=O)N)c1ccccc1 62a_100000210312_100000188848 [0,2,0,0,0,0|0,1,1]=4 9495 B16R1.12528 CC(C)OCOC(C(=O)N)c1ccccc1 34a_100011200849_100000709892 [0,2,0,0,0,0|1,0,1]=4 9496 B16R1.12528 CC(O)CCOC(C(=O)N)c1ccccc1 34a_100011200849_100012276601 [0,2,0,0,0,0|1,0,1]=4 9497 B16R1.12528 CC(O)CCOC(C(=O)N)c1ccccc1 7a_100011200849_100012276601 [0,2,0,0,0,0|1,0,1]=4 9498 B16R1.12528 CN(C)CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000755713 [0,2,0,0,0,0|1,0,1]=4 9499 B16R1.95806 CC(C)CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210626 [0,2,0,0,0,0|1,0,1]=4 9500 B16R1.95806 CC(C)CCOC(CN)c1ccccc1Br 34a_100011236429_100000210312 [0,2,0,0,0,0|1,0,1]=4 9501 B16R1.95806 CC(C)CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210312 [0,2,0,0,0,0|1,0,1]=4 9502 B16R1.95806 CCC(OCCC(C)C)c1ccccc1F 34a_200011689290_100000210312 [0,2,0,0,0,0|1,0,1]=4 9503 B16R1.95806 CCC(OCCC(C)C)c1ccccc1F 7a_200011689290_100000210626 [0,2,0,0,0,0|1,0,1]=4 9504 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Br 11a_100000738805_100000188424 [0,2,0,0,0,0|1,0,0]=3 9505 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Br 1626a_100000738805_100000188424 [0,2,0,0,0,0|1,0,0]=3 9506 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Br 240690a_100000738805_100000188424 [0,2,0,0,0,0|1,0,0]=3 9507 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Br 527a_100000738805_100000188424 [0,2,0,0,0,0|1,0,0]=3 9508 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 11a_100000738805_100000185844 [0,2,0,0,0,0|1,0,0]=3 9509 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 1626a_100000738805_100000185844 [0,2,0,0,0,0|1,0,0]=3 9510 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 240690a_100000738805_100000185844 [0,2,0,0,0,0|1,0,0]=3 9511 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 527a_100000738805_100000185844 [0,2,0,0,0,0|1,0,0]=3 9512 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1F 11a_100000738805_100000188656 [0,2,0,0,0,0|1,0,0]=3 9513 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1F 1626a_100000738805_100000188656 [0,2,0,0,0,0|1,0,0]=3 9514 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1F 240690a_100000738805_100000188656 [0,2,0,0,0,0|1,0,0]=3 9515 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1F 527a_100000738805_100000188656 [0,2,0,0,0,0|1,0,0]=3 9516 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1I 11a_100000738805_100000187884 [0,2,0,0,0,0|1,0,0]=3 9517 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1I 1626a_100000738805_100000187884 [0,2,0,0,0,0|1,0,0]=3 9518 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1I 240690a_100000738805_100000187884 [0,2,0,0,0,0|1,0,0]=3 9519 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1I 527a_100000738805_100000187884 [0,2,0,0,0,0|1,0,0]=3 9520 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1O 240690a_100000738805_100015234032 [0,2,0,0,0,0|1,0,0]=3 9521 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1[O-] 1626a_100000738805_100009911694 [0,2,0,0,0,0|1,0,0]=3 9522 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1[O-] 240690a_100000738805_100009911694 [0,2,0,0,0,0|1,0,0]=3 9523 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1[O-] 527a_100000738805_100009911694 [0,2,0,0,0,0|1,0,0]=3 9524 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1Br 62a_100000199116_100011219605 [0,2,0,0,0,0|2,0,0]=4 9525 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100011219605 [0,2,0,0,0,0|2,0,0]=4 9526 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1Cl 62a_100011219605_100000211432 [0,2,0,0,0,0|2,0,0]=4 9527 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1F 62a_100000204681_100011219605 [0,2,0,0,0,0|2,0,0]=4 9528 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1F 62a_100011219605_100000204681 [0,2,0,0,0,0|2,0,0]=4 9529 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1O 62a_100000188908_100011219605 [0,2,0,0,0,0|2,0,0]=4 9530 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1O 62a_100011219605_100000188908 [0,2,0,0,0,0|2,0,0]=4 9531 B16R1.7397 CC(C)(C)NCCC(=O)c1ccccc1F 2230a_100000715429_100000086012 [0,2,0,0,0,0|2,0,0]=4 9532 B16R1.7397 CC(C)(C)OCCC(=O)c1ccccc1F 7a_100015890283_100000086012 [0,2,0,0,0,0|2,0,0]=4 9533 B16R1.7397 CC(C)(C)OCCC(=O)c1ccccc1O 7a_100015890283_100009873196 [0,2,0,0,0,0|2,0,0]=4 9534 B16R1.7397 CC(C)(C)SCCC(=O)c1ccccc1F 62a_100000086012_100000211941 [0,2,0,0,0,0|2,0,0]=4 9535 B16R1.7397 CC(C)(C)SCCC(=O)c1ccccc1F 62a_100000211941_100000086012 [0,2,0,0,0,0|2,0,0]=4 9536 B16R1.7397 CC(C)(C)SCCC(=O)c1ccccc1O 62a_100000211941_100009873196 [0,2,0,0,0,0|2,0,0]=4 9537 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Br 11a_100016253952_100000188424 [0,2,0,0,0,0|1,0,0]=3 9538 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Br 1626a_100016253952_100000188424 [0,2,0,0,0,0|1,0,0]=3 9539 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Br 240690a_100016253952_100000188424 [0,2,0,0,0,0|1,0,0]=3 9540 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Br 527a_100016253952_100000188424 [0,2,0,0,0,0|1,0,0]=3 9541 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Cl 11a_100016253952_100000185844 [0,2,0,0,0,0|1,0,0]=3 9542 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Cl 1626a_100016253952_100000185844 [0,2,0,0,0,0|1,0,0]=3 9543 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Cl 240690a_100016253952_100000185844 [0,2,0,0,0,0|1,0,0]=3 9544 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1Cl 527a_100016253952_100000185844 [0,2,0,0,0,0|1,0,0]=3 9545 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1F 11a_100016253952_100000188656 [0,2,0,0,0,0|1,0,0]=3 9546 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1F 1626a_100016253952_100000188656 [0,2,0,0,0,0|1,0,0]=3 9547 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1F 240690a_100016253952_100000188656 [0,2,0,0,0,0|1,0,0]=3 9548 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1F 527a_100016253952_100000188656 [0,2,0,0,0,0|1,0,0]=3 9549 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1I 11a_100016253952_100000187884 [0,2,0,0,0,0|1,0,0]=3 9550 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1I 1626a_100016253952_100000187884 [0,2,0,0,0,0|1,0,0]=3 9551 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1I 240690a_100016253952_100000187884 [0,2,0,0,0,0|1,0,0]=3 9552 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1I 527a_100016253952_100000187884 [0,2,0,0,0,0|1,0,0]=3 9553 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1O 240690a_100016253952_100015234032 [0,2,0,0,0,0|1,0,0]=3 9554 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1[O-] 1626a_100016253952_100009911694 [0,2,0,0,0,0|1,0,0]=3 9555 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1[O-] 240690a_100016253952_100009911694 [0,2,0,0,0,0|1,0,0]=3 9556 B16R1.7397 CC(C)(F)CCNC(=O)c1ccccc1[O-] 527a_100016253952_100009911694 [0,2,0,0,0,0|1,0,0]=3 9557 B16R1.7397 CC(C)(F)COCC(=O)c1ccccc1Br 34a_100000716592_100000199116 [0,2,0,0,0,0|2,0,0]=4 9558 B16R1.7397 CC(C)(F)COCC(=O)c1ccccc1Cl 34a_100000716592_100000211432 [0,2,0,0,0,0|2,0,0]=4 9559 B16R1.7397 CC(C)(F)COCC(=O)c1ccccc1F 34a_100000716592_100000204681 [0,2,0,0,0,0|2,0,0]=4 9560 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1Br 62a_100000199116_100011997219 [0,2,0,0,0,0|2,0,0]=4 9561 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1Cl 62a_100000211432_100011997219 [0,2,0,0,0,0|2,0,0]=4 9562 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1Cl 62a_100011997219_100000211432 [0,2,0,0,0,0|2,0,0]=4 9563 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1F 62a_100000204681_100011997219 [0,2,0,0,0,0|2,0,0]=4 9564 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1F 62a_100011997219_100000204681 [0,2,0,0,0,0|2,0,0]=4 9565 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1O 62a_100000188908_100011997219 [0,2,0,0,0,0|2,0,0]=4 9566 B16R1.7397 CC(C)(F)CSCC(=O)c1ccccc1O 62a_100011997219_100000188908 [0,2,0,0,0,0|2,0,0]=4 9567 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1Br 1626a_100000707701_100000188424 [0,2,0,0,0,0|1,0,0]=3 9568 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1Br 527a_100000707701_100000188424 [0,2,0,0,0,0|1,0,0]=3 9569 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1Cl 1626a_100000707701_100000185844 [0,2,0,0,0,0|1,0,0]=3 9570 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1Cl 527a_100000707701_100000185844 [0,2,0,0,0,0|1,0,0]=3 9571 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1F 1626a_100000707701_100000188656 [0,2,0,0,0,0|1,0,0]=3 9572 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1F 527a_100000707701_100000188656 [0,2,0,0,0,0|1,0,0]=3 9573 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1I 1626a_100000707701_100000187884 [0,2,0,0,0,0|1,0,0]=3 9574 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1I 527a_100000707701_100000187884 [0,2,0,0,0,0|1,0,0]=3 9575 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1[O-] 1626a_100000707701_100009911694 [0,2,0,0,0,0|1,0,0]=3 9576 B16R1.7397 CC(C)(O)CCNC(=O)c1ccccc1[O-] 527a_100000707701_100009911694 [0,2,0,0,0,0|1,0,0]=3 9577 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1Br 62a_100000199116_100000764493 [0,2,0,0,0,0|2,0,0]=4 9578 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1Cl 62a_100000211432_100000764493 [0,2,0,0,0,0|2,0,0]=4 9579 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1Cl 62a_100000764493_100000211432 [0,2,0,0,0,0|2,0,0]=4 9580 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1F 62a_100000204681_100000764493 [0,2,0,0,0,0|2,0,0]=4 9581 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1F 62a_100000764493_100000204681 [0,2,0,0,0,0|2,0,0]=4 9582 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1O 62a_100000188908_100000764493 [0,2,0,0,0,0|2,0,0]=4 9583 B16R1.7397 CC(C)(O)CSCC(=O)c1ccccc1O 62a_100000764493_100000188908 [0,2,0,0,0,0|2,0,0]=4 9584 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Br 34a_100000702211_100000755188 [0,2,0,0,0,0|1,0,1]=4 9585 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Br 7a_100000702211_100000755188 [0,2,0,0,0,0|1,0,1]=4 9586 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 34a_100000740796_100000755188 [0,2,0,0,0,0|1,0,1]=4 9587 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 7a_100000740796_100000755188 [0,2,0,0,0,0|1,0,1]=4 9588 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 7a_100000765024_100000181259 [0,2,0,0,0,0|1,0,1]=4 9589 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 34a_100000697922_100000755188 [0,2,0,0,0,0|1,0,1]=4 9590 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 7a_100000697922_100000755188 [0,2,0,0,0,0|1,0,1]=4 9591 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 7a_100000765024_200000741388 [0,2,0,0,0,0|1,0,1]=4 9592 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1N 7a_100011405641_100000755188 [0,2,0,0,0,0|1,0,1]=4 9593 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Br 34a_100000702211_100000702414 [0,2,0,0,0,0|1,0,1]=4 9594 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Br 7a_100000702211_100000702414 [0,2,0,0,0,0|1,0,1]=4 9595 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Cl 34a_100000740796_100000702414 [0,2,0,0,0,0|1,0,1]=4 9596 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Cl 7a_100000740796_100000702414 [0,2,0,0,0,0|1,0,1]=4 9597 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1F 34a_100000697922_100000702414 [0,2,0,0,0,0|1,0,1]=4 9598 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1F 7a_100000697922_100000702414 [0,2,0,0,0,0|1,0,1]=4 9599 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1N 7a_100011405641_100000702414 [0,2,0,0,0,0|1,0,1]=4 9600 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100016990835 [0,2,0,0,0,0|2,0,0]=4 9601 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100016990835 [0,2,0,0,0,0|2,0,0]=4 9602 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100016990835 [0,2,0,0,0,0|2,0,0]=4 9603 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100016990835 [0,2,0,0,0,0|2,0,0]=4 9604 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100016990835 [0,2,0,0,0,0|2,0,0]=4 9605 B16R1.7397 C[N+](C)(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100016990835 [0,2,0,0,0,0|2,0,0]=4 9606 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Br 1626a_100000106457_100000188424 [0,2,0,0,0,0|2,0,0]=4 9607 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Br 240690a_100000106457_100000188424 [0,2,0,0,0,0|2,0,0]=4 9608 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Br 527a_100000106457_100000188424 [0,2,0,0,0,0|2,0,0]=4 9609 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Cl 1626a_100000106457_100000185844 [0,2,0,0,0,0|2,0,0]=4 9610 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Cl 240690a_100000106457_100000185844 [0,2,0,0,0,0|2,0,0]=4 9611 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1Cl 527a_100000106457_100000185844 [0,2,0,0,0,0|2,0,0]=4 9612 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1F 1626a_100000106457_100000188656 [0,2,0,0,0,0|2,0,0]=4 9613 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1F 240690a_100000106457_100000188656 [0,2,0,0,0,0|2,0,0]=4 9614 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1F 527a_100000106457_100000188656 [0,2,0,0,0,0|2,0,0]=4 9615 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1I 1626a_100000106457_100000187884 [0,2,0,0,0,0|2,0,0]=4 9616 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1I 240690a_100000106457_100000187884 [0,2,0,0,0,0|2,0,0]=4 9617 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1I 527a_100000106457_100000187884 [0,2,0,0,0,0|2,0,0]=4 9618 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1O 240690a_100000106457_100015234032 [0,2,0,0,0,0|2,0,0]=4 9619 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1[O-] 1626a_100000106457_100009911694 [0,2,0,0,0,0|2,0,0]=4 9620 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1[O-] 240690a_100000106457_100009911694 [0,2,0,0,0,0|2,0,0]=4 9621 B16R1.7397 C[N+](C)(C)CCNC(=O)c1ccccc1[O-] 527a_100000106457_100009911694 [0,2,0,0,0,0|2,0,0]=4 9622 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011219597 [0,2,0,0,0,0|1,1,0]=4 9623 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011219597 [0,2,0,0,0,0|1,1,0]=4 9624 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100011219597 [0,2,0,0,0,0|1,1,0]=4 9625 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100011219597 [0,2,0,0,0,0|1,1,0]=4 9626 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100011219597 [0,2,0,0,0,0|1,1,0]=4 9627 B16R1.7397 C[Si](C)(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011219597 [0,2,0,0,0,0|1,1,0]=4 9628 B16R1.7397 Cc1ccccc1C(=O)CCC[N+](C)(C)C 1458a_100000212026_100016990835 [0,2,0,0,0,0|2,0,0]=4 9629 B16R1.7397 Cc1ccccc1C(=O)CCC[Si](C)(C)C 1458a_100000212026_100011219597 [0,2,0,0,0,0|1,1,0]=4 9630 B16R1.7397 Cc1ccccc1C(=O)CNCC(C)(C)C 2230a_100000743828_100000741374 [0,2,0,0,0,0|2,0,0]=4 9631 B16R1.7397 Cc1ccccc1C(=O)CNCC(C)(C)F 2230a_100020643315_100000741374 [0,2,0,0,0,0|2,0,0]=4 9632 B16R1.7397 Cc1ccccc1C(=O)CNCC(C)(C)O 2230a_100000751335_100000741374 [0,2,0,0,0,0|2,0,0]=4 9633 B16R1.7397 Cc1ccccc1C(=O)COCC(C)(C)F 34a_100000716592_100000741374 [0,2,0,0,0,0|2,0,0]=4 9634 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)C 62a_100000741374_100011219605 [0,2,0,0,0,0|2,0,0]=4 9635 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)C 62a_100011219605_100000741374 [0,2,0,0,0,0|2,0,0]=4 9636 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)F 62a_100000741374_100011997219 [0,2,0,0,0,0|2,0,0]=4 9637 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)F 62a_100011997219_100000741374 [0,2,0,0,0,0|2,0,0]=4 9638 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)O 62a_100000741374_100000764493 [0,2,0,0,0,0|2,0,0]=4 9639 B16R1.7397 Cc1ccccc1C(=O)CSCC(C)(C)O 62a_100000764493_100000741374 [0,2,0,0,0,0|2,0,0]=4 9640 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)C 11a_100000738805_100000212026 [0,2,0,0,0,0|1,0,0]=3 9641 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)C 1626a_100000738805_100000212026 [0,2,0,0,0,0|1,0,0]=3 9642 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)C 240690a_100000738805_100000212026 [0,2,0,0,0,0|1,0,0]=3 9643 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)C 527a_100000738805_100000212026 [0,2,0,0,0,0|1,0,0]=3 9644 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)F 11a_100016253952_100000212026 [0,2,0,0,0,0|1,0,0]=3 9645 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)F 1626a_100016253952_100000212026 [0,2,0,0,0,0|1,0,0]=3 9646 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)F 240690a_100016253952_100000212026 [0,2,0,0,0,0|1,0,0]=3 9647 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)F 527a_100016253952_100000212026 [0,2,0,0,0,0|1,0,0]=3 9648 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)O 1626a_100000707701_100000212026 [0,2,0,0,0,0|1,0,0]=3 9649 B16R1.7397 Cc1ccccc1C(=O)NCCC(C)(C)O 527a_100000707701_100000212026 [0,2,0,0,0,0|1,0,0]=3 9650 B16R1.7397 Cc1ccccc1C(=O)NCC[N+](C)(C)C 1626a_100000106457_100000212026 [0,2,0,0,0,0|2,0,0]=4 9651 B16R1.7397 Cc1ccccc1C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000212026 [0,2,0,0,0,0|2,0,0]=4 9652 B16R1.7397 Cc1ccccc1C(=O)NCC[N+](C)(C)C 527a_100000106457_100000212026 [0,2,0,0,0,0|2,0,0]=4 9653 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)C 34a_100000742021_100000755188 [0,2,0,0,0,0|1,0,1]=4 9654 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)C 7a_100000742021_100000755188 [0,2,0,0,0,0|1,0,1]=4 9655 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)O 34a_100000742021_100000702414 [0,2,0,0,0,0|1,0,1]=4 9656 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)O 7a_100000742021_100000702414 [0,2,0,0,0,0|1,0,1]=4 9657 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100011214892 [0,2,0,0,0,0|1,0,0]=3 9658 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100011214892 [0,2,0,0,0,0|1,0,0]=3 9659 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100011214892 [0,2,0,0,0,0|1,0,0]=3 9660 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100011214892 [0,2,0,0,0,0|1,0,0]=3 9661 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100011214892 [0,2,0,0,0,0|1,0,0]=3 9662 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100011214892 [0,2,0,0,0,0|1,0,0]=3 9663 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100011214892 [0,2,0,0,0,0|1,0,0]=3 9664 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100011214892 [0,2,0,0,0,0|1,0,0]=3 9665 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100011214892 [0,2,0,0,0,0|1,0,0]=3 9666 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100011214892 [0,2,0,0,0,0|1,0,0]=3 9667 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100011214892 [0,2,0,0,0,0|1,0,0]=3 9668 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100011214892 [0,2,0,0,0,0|1,0,0]=3 9669 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100011214892 [0,2,0,0,0,0|1,0,0]=3 9670 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100011214892 [0,2,0,0,0,0|1,0,0]=3 9671 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100011214892 [0,2,0,0,0,0|1,0,0]=3 9672 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100011214892 [0,2,0,0,0,0|1,0,0]=3 9673 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100011214892 [0,2,0,0,0,0|1,0,0]=3 9674 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100011214892 [0,2,0,0,0,0|1,0,0]=3 9675 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100011214892 [0,2,0,0,0,0|1,0,0]=3 9676 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100011214892 [0,2,0,0,0,0|1,0,0]=3 9677 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100011214892 [0,2,0,0,0,0|1,0,0]=3 9678 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100011214892 [0,2,0,0,0,0|1,0,0]=3 9679 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100011214892 [0,2,0,0,0,0|1,0,0]=3 9680 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100011214892 [0,2,0,0,0,0|1,0,0]=3 9681 B16R1.7492 CC(C)CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100011214892 [0,2,0,0,0,0|1,0,0]=3 9682 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Br 11a_100000210545_100000690610 [0,2,0,0,0,0|1,0,0]=3 9683 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Br 1626a_100000210545_100000690610 [0,2,0,0,0,0|1,0,0]=3 9684 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Br 240690a_100000210545_100000690610 [0,2,0,0,0,0|1,0,0]=3 9685 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Br 527a_100000210545_100000690610 [0,2,0,0,0,0|1,0,0]=3 9686 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Cl 11a_100000210545_100000736951 [0,2,0,0,0,0|1,0,0]=3 9687 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Cl 1626a_100000210545_100000736951 [0,2,0,0,0,0|1,0,0]=3 9688 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Cl 240690a_100000210545_100000736951 [0,2,0,0,0,0|1,0,0]=3 9689 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)Cl 527a_100000210545_100000736951 [0,2,0,0,0,0|1,0,0]=3 9690 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)F 11a_100000210545_100000212315 [0,2,0,0,0,0|1,0,0]=3 9691 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)F 1626a_100000210545_100000212315 [0,2,0,0,0,0|1,0,0]=3 9692 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)F 240690a_100000210545_100000212315 [0,2,0,0,0,0|1,0,0]=3 9693 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)F 527a_100000210545_100000212315 [0,2,0,0,0,0|1,0,0]=3 9694 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)I 11a_100000210545_100000698340 [0,2,0,0,0,0|1,0,0]=3 9695 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)I 1626a_100000210545_100000698340 [0,2,0,0,0,0|1,0,0]=3 9696 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)I 240690a_100000210545_100000698340 [0,2,0,0,0,0|1,0,0]=3 9697 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)I 527a_100000210545_100000698340 [0,2,0,0,0,0|1,0,0]=3 9698 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)O 240690a_100000210545_100012352043 [0,2,0,0,0,0|1,0,0]=3 9699 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Br)O 527a_100000210545_100012352043 [0,2,0,0,0,0|1,0,0]=3 9700 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Br 11a_100000210545_100000211212 [0,2,0,0,0,0|1,0,0]=3 9701 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Br 1626a_100000210545_100000211212 [0,2,0,0,0,0|1,0,0]=3 9702 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Br 240690a_100000210545_100000211212 [0,2,0,0,0,0|1,0,0]=3 9703 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Br 527a_100000210545_100000211212 [0,2,0,0,0,0|1,0,0]=3 9704 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Cl 11a_100000210545_100000210642 [0,2,0,0,0,0|1,0,0]=3 9705 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Cl 1626a_100000210545_100000210642 [0,2,0,0,0,0|1,0,0]=3 9706 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100000210545_100000210642 [0,2,0,0,0,0|1,0,0]=3 9707 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)Cl 527a_100000210545_100000210642 [0,2,0,0,0,0|1,0,0]=3 9708 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)F 11a_100000210545_100011219680 [0,2,0,0,0,0|1,0,0]=3 9709 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)F 1626a_100000210545_100011219680 [0,2,0,0,0,0|1,0,0]=3 9710 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)F 240690a_100000210545_100011219680 [0,2,0,0,0,0|1,0,0]=3 9711 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)F 527a_100000210545_100011219680 [0,2,0,0,0,0|1,0,0]=3 9712 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)I 11a_100000210545_100000688013 [0,2,0,0,0,0|1,0,0]=3 9713 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)I 1626a_100000210545_100000688013 [0,2,0,0,0,0|1,0,0]=3 9714 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)I 240690a_100000210545_100000688013 [0,2,0,0,0,0|1,0,0]=3 9715 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)I 527a_100000210545_100000688013 [0,2,0,0,0,0|1,0,0]=3 9716 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)O 240690a_100000210545_100000719527 [0,2,0,0,0,0|1,0,0]=3 9717 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1Cl)O 527a_100000210545_100000719527 [0,2,0,0,0,0|1,0,0]=3 9718 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Br 11a_100000210545_100000212322 [0,2,0,0,0,0|1,0,0]=3 9719 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Br 1626a_100000210545_100000212322 [0,2,0,0,0,0|1,0,0]=3 9720 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Br 240690a_100000210545_100000212322 [0,2,0,0,0,0|1,0,0]=3 9721 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Br 527a_100000210545_100000212322 [0,2,0,0,0,0|1,0,0]=3 9722 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Cl 11a_100000210545_100000214954 [0,2,0,0,0,0|1,0,0]=3 9723 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Cl 1626a_100000210545_100000214954 [0,2,0,0,0,0|1,0,0]=3 9724 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Cl 240690a_100000210545_100000214954 [0,2,0,0,0,0|1,0,0]=3 9725 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)Cl 527a_100000210545_100000214954 [0,2,0,0,0,0|1,0,0]=3 9726 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)F 11a_100000210545_100000198512 [0,2,0,0,0,0|1,0,0]=3 9727 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)F 1626a_100000210545_100000198512 [0,2,0,0,0,0|1,0,0]=3 9728 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)F 240690a_100000210545_100000198512 [0,2,0,0,0,0|1,0,0]=3 9729 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)F 527a_100000210545_100000198512 [0,2,0,0,0,0|1,0,0]=3 9730 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)I 11a_100000210545_100000688014 [0,2,0,0,0,0|1,0,0]=3 9731 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)I 1626a_100000210545_100000688014 [0,2,0,0,0,0|1,0,0]=3 9732 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)I 240690a_100000210545_100000688014 [0,2,0,0,0,0|1,0,0]=3 9733 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)I 527a_100000210545_100000688014 [0,2,0,0,0,0|1,0,0]=3 9734 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)O 240690a_100000210545_100000037260 [0,2,0,0,0,0|1,0,0]=3 9735 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1F)O 527a_100000210545_100000037260 [0,2,0,0,0,0|1,0,0]=3 9736 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Br 11a_100000210545_100000183945 [0,2,0,0,0,0|1,0,0]=3 9737 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Br 1626a_100000210545_100000183945 [0,2,0,0,0,0|1,0,0]=3 9738 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Br 240690a_100000210545_100000183945 [0,2,0,0,0,0|1,0,0]=3 9739 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Cl 11a_100000210545_100000739379 [0,2,0,0,0,0|1,0,0]=3 9740 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Cl 1626a_100000210545_100000739379 [0,2,0,0,0,0|1,0,0]=3 9741 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Cl 240690a_100000210545_100000739379 [0,2,0,0,0,0|1,0,0]=3 9742 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)Cl 527a_100000210545_100000739379 [0,2,0,0,0,0|1,0,0]=3 9743 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)F 11a_100000210545_100000748905 [0,2,0,0,0,0|1,0,0]=3 9744 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)F 1626a_100000210545_100000748905 [0,2,0,0,0,0|1,0,0]=3 9745 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)F 240690a_100000210545_100000748905 [0,2,0,0,0,0|1,0,0]=3 9746 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)F 527a_100000210545_100000748905 [0,2,0,0,0,0|1,0,0]=3 9747 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)I 11a_100000210545_100000750460 [0,2,0,0,0,0|1,0,0]=3 9748 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)I 1626a_100000210545_100000750460 [0,2,0,0,0,0|1,0,0]=3 9749 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)I 240690a_100000210545_100000750460 [0,2,0,0,0,0|1,0,0]=3 9750 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)I 527a_100000210545_100000750460 [0,2,0,0,0,0|1,0,0]=3 9751 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)O 1626a_100000210545_200009995701 [0,2,0,0,0,0|1,0,0]=3 9752 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)O 240690a_100000210545_200009995701 [0,2,0,0,0,0|1,0,0]=3 9753 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1I)O 527a_100000210545_200009995701 [0,2,0,0,0,0|1,0,0]=3 9754 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Br 1626a_100000210545_100000212140 [0,2,0,0,0,0|1,0,0]=3 9755 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Br 240690a_100000210545_100000212140 [0,2,0,0,0,0|1,0,0]=3 9756 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Br 527a_100000210545_100000212140 [0,2,0,0,0,0|1,0,0]=3 9757 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Cl 11a_100000210545_100000212143 [0,2,0,0,0,0|1,0,0]=3 9758 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Cl 1626a_100000210545_100000212143 [0,2,0,0,0,0|1,0,0]=3 9759 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Cl 240690a_100000210545_100000212143 [0,2,0,0,0,0|1,0,0]=3 9760 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)Cl 527a_100000210545_100000212143 [0,2,0,0,0,0|1,0,0]=3 9761 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)F 240690a_100000210545_100000742286 [0,2,0,0,0,0|1,0,0]=3 9762 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)F 527a_100000210545_100000742286 [0,2,0,0,0,0|1,0,0]=3 9763 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)I 240690a_100000210545_100000212111 [0,2,0,0,0,0|1,0,0]=3 9764 B16R1.7492 CC(C)CCNC(=O)c1cc(ccc1O)I 527a_100000210545_100000212111 [0,2,0,0,0,0|1,0,0]=3 9765 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210312 [0,2,0,0,0,0|1,0,1]=4 9766 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210626 [0,2,0,0,0,0|1,0,1]=4 9767 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000210312 [0,2,0,0,0,0|1,0,1]=4 9768 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000210626 [0,2,0,0,0,0|1,0,1]=4 9769 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1F)F 34a_100000246540_100000210312 [0,2,0,0,0,0|1,0,1]=4 9770 B16R1.7492 CC(C)CCOC(C)c1cc(ccc1F)F 7a_100000246540_100000210626 [0,2,0,0,0,0|1,0,1]=4 9771 B16R1.7492 CC(C)CCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210312 [0,2,0,0,0,0|1,0,1]=4 9772 B16R1.7492 CC(C)CCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210626 [0,2,0,0,0,0|1,0,1]=4 9773 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1Br)Cl 2230a_100000210953_100012361344 [0,2,0,0,0,0|2,0,0]=4 9774 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1Br)Cl 34a_100000210953_100012361344 [0,2,0,0,0,0|2,0,0]=4 9775 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1Cl)Cl 2230a_100000210953_100000183120 [0,2,0,0,0,0|2,0,0]=4 9776 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1Cl)F 34a_100000210953_200010187420 [0,2,0,0,0,0|2,0,0]=4 9777 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1F)F 34a_100000210953_100000211571 [0,2,0,0,0,0|2,0,0]=4 9778 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1O)Br 34a_100000210953_200009828000 [0,2,0,0,0,0|2,0,0]=4 9779 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1O)F 34a_100000210953_100009814381 [0,2,0,0,0,0|2,0,0]=4 9780 B16R1.7492 CC(C)CNCC(=O)c1cc(ccc1O)O 34a_100000210953_100009814097 [0,2,0,0,0,0|2,0,0]=4 9781 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Br)Br 22a_100000696102_100000690610 [0,2,0,0,0,0|2,0,0]=4 9782 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Br)Cl 22a_100000696102_100000736951 [0,2,0,0,0,0|2,0,0]=4 9783 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Br)F 22a_100000696102_100000212315 [0,2,0,0,0,0|2,0,0]=4 9784 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Br)I 22a_100000696102_100000698340 [0,2,0,0,0,0|2,0,0]=4 9785 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Br)O 22a_100000696102_100012352043 [0,2,0,0,0,0|2,0,0]=4 9786 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Cl)Br 22a_100000696102_100000211212 [0,2,0,0,0,0|2,0,0]=4 9787 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Cl)Cl 22a_100000696102_100000210642 [0,2,0,0,0,0|2,0,0]=4 9788 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Cl)F 22a_100000696102_100011219680 [0,2,0,0,0,0|2,0,0]=4 9789 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Cl)I 22a_100000696102_100000688013 [0,2,0,0,0,0|2,0,0]=4 9790 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1Cl)O 22a_100000696102_100000719527 [0,2,0,0,0,0|2,0,0]=4 9791 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1F)Br 22a_100000696102_100000212322 [0,2,0,0,0,0|2,0,0]=4 9792 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1F)Cl 22a_100000696102_100000214954 [0,2,0,0,0,0|2,0,0]=4 9793 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1F)F 22a_100000696102_100000198512 [0,2,0,0,0,0|2,0,0]=4 9794 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1F)I 22a_100000696102_100000688014 [0,2,0,0,0,0|2,0,0]=4 9795 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1F)O 22a_100000696102_100000037260 [0,2,0,0,0,0|2,0,0]=4 9796 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1I)Br 22a_100000696102_100000183945 [0,2,0,0,0,0|2,0,0]=4 9797 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1I)Cl 22a_100000696102_100000739379 [0,2,0,0,0,0|2,0,0]=4 9798 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1I)F 22a_100000696102_100000748905 [0,2,0,0,0,0|2,0,0]=4 9799 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1I)I 22a_100000696102_100000750460 [0,2,0,0,0,0|2,0,0]=4 9800 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1I)O 22a_100000696102_200009995701 [0,2,0,0,0,0|2,0,0]=4 9801 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1O)Br 22a_100000696102_100000212140 [0,2,0,0,0,0|2,0,0]=4 9802 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1O)Cl 22a_100000696102_100000212143 [0,2,0,0,0,0|2,0,0]=4 9803 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1O)F 22a_100000696102_100000742286 [0,2,0,0,0,0|2,0,0]=4 9804 B16R1.7492 CC(C)CNNC(=O)c1cc(ccc1O)I 22a_100000696102_100000212111 [0,2,0,0,0,0|2,0,0]=4 9805 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1Br)Cl 34a_100000210257_100012361344 [0,2,0,0,0,0|2,0,0]=4 9806 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1Cl)F 34a_100000210257_200010187420 [0,2,0,0,0,0|2,0,0]=4 9807 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1F)F 34a_100000210257_100000211571 [0,2,0,0,0,0|2,0,0]=4 9808 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1O)Br 34a_100000210257_200009828000 [0,2,0,0,0,0|2,0,0]=4 9809 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1O)F 34a_100000210257_100009814381 [0,2,0,0,0,0|2,0,0]=4 9810 B16R1.7492 CC(C)COCC(=O)c1cc(ccc1O)O 34a_100000210257_100009814097 [0,2,0,0,0,0|2,0,0]=4 9811 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_100000210760 [0,2,0,0,0,0|2,0,0]=4 9812 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_100000210760 [0,2,0,0,0,0|2,0,0]=4 9813 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1Cl)F 62a_100000210624_200010187420 [0,2,0,0,0,0|2,0,0]=4 9814 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_100000210760 [0,2,0,0,0,0|2,0,0]=4 9815 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1F)F 62a_100000210624_100000211571 [0,2,0,0,0,0|2,0,0]=4 9816 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1F)F 62a_100000211571_100000210760 [0,2,0,0,0,0|2,0,0]=4 9817 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)Br 62a_200009828000_100000210760 [0,2,0,0,0,0|2,0,0]=4 9818 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_100000210760 [0,2,0,0,0,0|2,0,0]=4 9819 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)F 62a_100000210624_100009814381 [0,2,0,0,0,0|2,0,0]=4 9820 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)F 62a_100009814381_100000210760 [0,2,0,0,0,0|2,0,0]=4 9821 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)O 62a_100000210624_100009814097 [0,2,0,0,0,0|2,0,0]=4 9822 B16R1.7492 CC(C)CSCC(=O)c1cc(ccc1O)O 62a_100009814097_100000210760 [0,2,0,0,0,0|2,0,0]=4 9823 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000211751 [0,2,0,0,0,0|2,0,0]=4 9824 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000211751 [0,2,0,0,0,0|2,0,0]=4 9825 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000211751 [0,2,0,0,0,0|2,0,0]=4 9826 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000211751 [0,2,0,0,0,0|2,0,0]=4 9827 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000211751 [0,2,0,0,0,0|2,0,0]=4 9828 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000211751 [0,2,0,0,0,0|2,0,0]=4 9829 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000211751 [0,2,0,0,0,0|2,0,0]=4 9830 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000211751 [0,2,0,0,0,0|2,0,0]=4 9831 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000211751 [0,2,0,0,0,0|2,0,0]=4 9832 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000211751 [0,2,0,0,0,0|2,0,0]=4 9833 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000211751 [0,2,0,0,0,0|2,0,0]=4 9834 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000211751 [0,2,0,0,0,0|2,0,0]=4 9835 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000211751 [0,2,0,0,0,0|2,0,0]=4 9836 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000211751 [0,2,0,0,0,0|2,0,0]=4 9837 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000211751 [0,2,0,0,0,0|2,0,0]=4 9838 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000211751 [0,2,0,0,0,0|2,0,0]=4 9839 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000211751 [0,2,0,0,0,0|2,0,0]=4 9840 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000211751 [0,2,0,0,0,0|2,0,0]=4 9841 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000211751 [0,2,0,0,0,0|2,0,0]=4 9842 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000211751 [0,2,0,0,0,0|2,0,0]=4 9843 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000211751 [0,2,0,0,0,0|2,0,0]=4 9844 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000211751 [0,2,0,0,0,0|2,0,0]=4 9845 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000211751 [0,2,0,0,0,0|2,0,0]=4 9846 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000211751 [0,2,0,0,0,0|2,0,0]=4 9847 B16R1.7492 CC(C)OCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000211751 [0,2,0,0,0,0|2,0,0]=4 9848 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000730970 [0,2,0,0,0,0|2,0,0]=4 9849 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000730970 [0,2,0,0,0,0|2,0,0]=4 9850 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000730970 [0,2,0,0,0,0|2,0,0]=4 9851 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000730970 [0,2,0,0,0,0|2,0,0]=4 9852 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000730970 [0,2,0,0,0,0|2,0,0]=4 9853 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000730970 [0,2,0,0,0,0|2,0,0]=4 9854 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000730970 [0,2,0,0,0,0|2,0,0]=4 9855 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000730970 [0,2,0,0,0,0|2,0,0]=4 9856 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000730970 [0,2,0,0,0,0|2,0,0]=4 9857 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000730970 [0,2,0,0,0,0|2,0,0]=4 9858 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000730970 [0,2,0,0,0,0|2,0,0]=4 9859 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000730970 [0,2,0,0,0,0|2,0,0]=4 9860 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000730970 [0,2,0,0,0,0|2,0,0]=4 9861 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000730970 [0,2,0,0,0,0|2,0,0]=4 9862 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000730970 [0,2,0,0,0,0|2,0,0]=4 9863 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000730970 [0,2,0,0,0,0|2,0,0]=4 9864 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000730970 [0,2,0,0,0,0|2,0,0]=4 9865 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000730970 [0,2,0,0,0,0|2,0,0]=4 9866 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000730970 [0,2,0,0,0,0|2,0,0]=4 9867 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000730970 [0,2,0,0,0,0|2,0,0]=4 9868 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000730970 [0,2,0,0,0,0|2,0,0]=4 9869 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000730970 [0,2,0,0,0,0|2,0,0]=4 9870 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000730970 [0,2,0,0,0,0|2,0,0]=4 9871 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000730970 [0,2,0,0,0,0|2,0,0]=4 9872 B16R1.7492 CC(C)SCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000730970 [0,2,0,0,0,0|2,0,0]=4 9873 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000718107 [0,2,0,0,0,0|2,0,0]=4 9874 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000718107 [0,2,0,0,0,0|2,0,0]=4 9875 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000718107 [0,2,0,0,0,0|2,0,0]=4 9876 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000718107 [0,2,0,0,0,0|2,0,0]=4 9877 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000718107 [0,2,0,0,0,0|2,0,0]=4 9878 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000718107 [0,2,0,0,0,0|2,0,0]=4 9879 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000718107 [0,2,0,0,0,0|2,0,0]=4 9880 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000718107 [0,2,0,0,0,0|2,0,0]=4 9881 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000718107 [0,2,0,0,0,0|2,0,0]=4 9882 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000718107 [0,2,0,0,0,0|2,0,0]=4 9883 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000718107 [0,2,0,0,0,0|2,0,0]=4 9884 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000718107 [0,2,0,0,0,0|2,0,0]=4 9885 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_200000718107 [0,2,0,0,0,0|2,0,0]=4 9886 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_200000718107 [0,2,0,0,0,0|2,0,0]=4 9887 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_200000718107 [0,2,0,0,0,0|2,0,0]=4 9888 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000718107 [0,2,0,0,0,0|2,0,0]=4 9889 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000718107 [0,2,0,0,0,0|2,0,0]=4 9890 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_200000718107 [0,2,0,0,0,0|2,0,0]=4 9891 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_200000718107 [0,2,0,0,0,0|2,0,0]=4 9892 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_200000718107 [0,2,0,0,0,0|2,0,0]=4 9893 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000718107 [0,2,0,0,0,0|2,0,0]=4 9894 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000718107 [0,2,0,0,0,0|2,0,0]=4 9895 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_200000718107 [0,2,0,0,0,0|2,0,0]=4 9896 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_200000718107 [0,2,0,0,0,0|2,0,0]=4 9897 B16R1.7492 CC(O)CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_200000718107 [0,2,0,0,0,0|2,0,0]=4 9898 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)Br 240690a_200000755665_100000690610 [0,2,0,0,0,0|2,0,0]=4 9899 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)Br 527a_200000755665_100000690610 [0,2,0,0,0,0|2,0,0]=4 9900 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)Cl 240690a_200000755665_100000736951 [0,2,0,0,0,0|2,0,0]=4 9901 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)Cl 527a_200000755665_100000736951 [0,2,0,0,0,0|2,0,0]=4 9902 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)F 240690a_200000755665_100000212315 [0,2,0,0,0,0|2,0,0]=4 9903 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)F 527a_200000755665_100000212315 [0,2,0,0,0,0|2,0,0]=4 9904 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)I 240690a_200000755665_100000698340 [0,2,0,0,0,0|2,0,0]=4 9905 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)I 527a_200000755665_100000698340 [0,2,0,0,0,0|2,0,0]=4 9906 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)O 240690a_200000755665_100012352043 [0,2,0,0,0,0|2,0,0]=4 9907 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Br)O 527a_200000755665_100012352043 [0,2,0,0,0,0|2,0,0]=4 9908 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)Br 240690a_200000755665_100000211212 [0,2,0,0,0,0|2,0,0]=4 9909 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)Br 527a_200000755665_100000211212 [0,2,0,0,0,0|2,0,0]=4 9910 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)Cl 240690a_200000755665_100000210642 [0,2,0,0,0,0|2,0,0]=4 9911 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)Cl 527a_200000755665_100000210642 [0,2,0,0,0,0|2,0,0]=4 9912 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)F 240690a_200000755665_100011219680 [0,2,0,0,0,0|2,0,0]=4 9913 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)F 527a_200000755665_100011219680 [0,2,0,0,0,0|2,0,0]=4 9914 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)I 240690a_200000755665_100000688013 [0,2,0,0,0,0|2,0,0]=4 9915 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)I 527a_200000755665_100000688013 [0,2,0,0,0,0|2,0,0]=4 9916 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)O 240690a_200000755665_100000719527 [0,2,0,0,0,0|2,0,0]=4 9917 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1Cl)O 527a_200000755665_100000719527 [0,2,0,0,0,0|2,0,0]=4 9918 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)Br 240690a_200000755665_100000212322 [0,2,0,0,0,0|2,0,0]=4 9919 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)Br 527a_200000755665_100000212322 [0,2,0,0,0,0|2,0,0]=4 9920 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)Cl 240690a_200000755665_100000214954 [0,2,0,0,0,0|2,0,0]=4 9921 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)Cl 527a_200000755665_100000214954 [0,2,0,0,0,0|2,0,0]=4 9922 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)F 240690a_200000755665_100000198512 [0,2,0,0,0,0|2,0,0]=4 9923 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)F 527a_200000755665_100000198512 [0,2,0,0,0,0|2,0,0]=4 9924 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)I 240690a_200000755665_100000688014 [0,2,0,0,0,0|2,0,0]=4 9925 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)I 527a_200000755665_100000688014 [0,2,0,0,0,0|2,0,0]=4 9926 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)O 240690a_200000755665_100000037260 [0,2,0,0,0,0|2,0,0]=4 9927 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1F)O 527a_200000755665_100000037260 [0,2,0,0,0,0|2,0,0]=4 9928 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)Br 240690a_200000755665_100000183945 [0,2,0,0,0,0|2,0,0]=4 9929 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)Cl 240690a_200000755665_100000739379 [0,2,0,0,0,0|2,0,0]=4 9930 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)Cl 527a_200000755665_100000739379 [0,2,0,0,0,0|2,0,0]=4 9931 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)F 240690a_200000755665_100000748905 [0,2,0,0,0,0|2,0,0]=4 9932 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)F 527a_200000755665_100000748905 [0,2,0,0,0,0|2,0,0]=4 9933 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)I 240690a_200000755665_100000750460 [0,2,0,0,0,0|2,0,0]=4 9934 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)I 527a_200000755665_100000750460 [0,2,0,0,0,0|2,0,0]=4 9935 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)O 240690a_200000755665_200009995701 [0,2,0,0,0,0|2,0,0]=4 9936 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1I)O 527a_200000755665_200009995701 [0,2,0,0,0,0|2,0,0]=4 9937 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)Br 240690a_200000755665_100000212140 [0,2,0,0,0,0|2,0,0]=4 9938 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)Br 527a_200000755665_100000212140 [0,2,0,0,0,0|2,0,0]=4 9939 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)Cl 240690a_200000755665_100000212143 [0,2,0,0,0,0|2,0,0]=4 9940 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)Cl 527a_200000755665_100000212143 [0,2,0,0,0,0|2,0,0]=4 9941 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)F 240690a_200000755665_100000742286 [0,2,0,0,0,0|2,0,0]=4 9942 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)F 527a_200000755665_100000742286 [0,2,0,0,0,0|2,0,0]=4 9943 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)I 240690a_200000755665_100000212111 [0,2,0,0,0,0|2,0,0]=4 9944 B16R1.7492 CC(O)CCNC(=O)c1cc(ccc1O)I 527a_200000755665_100000212111 [0,2,0,0,0,0|2,0,0]=4 9945 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000695564 [0,2,0,0,0,0|2,0,0]=4 9946 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000695564 [0,2,0,0,0,0|2,0,0]=4 9947 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000695564 [0,2,0,0,0,0|2,0,0]=4 9948 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000695564 [0,2,0,0,0,0|2,0,0]=4 9949 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000695564 [0,2,0,0,0,0|2,0,0]=4 9950 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000695564 [0,2,0,0,0,0|2,0,0]=4 9951 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000695564 [0,2,0,0,0,0|2,0,0]=4 9952 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000695564 [0,2,0,0,0,0|2,0,0]=4 9953 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000695564 [0,2,0,0,0,0|2,0,0]=4 9954 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000695564 [0,2,0,0,0,0|2,0,0]=4 9955 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000695564 [0,2,0,0,0,0|2,0,0]=4 9956 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000695564 [0,2,0,0,0,0|2,0,0]=4 9957 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000695564 [0,2,0,0,0,0|2,0,0]=4 9958 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000695564 [0,2,0,0,0,0|2,0,0]=4 9959 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000695564 [0,2,0,0,0,0|2,0,0]=4 9960 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000695564 [0,2,0,0,0,0|2,0,0]=4 9961 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000695564 [0,2,0,0,0,0|2,0,0]=4 9962 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000695564 [0,2,0,0,0,0|2,0,0]=4 9963 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000695564 [0,2,0,0,0,0|2,0,0]=4 9964 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000695564 [0,2,0,0,0,0|2,0,0]=4 9965 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000695564 [0,2,0,0,0,0|2,0,0]=4 9966 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000695564 [0,2,0,0,0,0|2,0,0]=4 9967 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000695564 [0,2,0,0,0,0|2,0,0]=4 9968 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000695564 [0,2,0,0,0,0|2,0,0]=4 9969 B16R1.7492 CN(C)CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000695564 [0,2,0,0,0,0|2,0,0]=4 9970 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)Br 240690a_100000210585_100000690610 [0,2,0,0,0,0|2,0,0]=4 9971 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)Br 527a_100000210585_100000690610 [0,2,0,0,0,0|2,0,0]=4 9972 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)Cl 240690a_100000210585_100000736951 [0,2,0,0,0,0|2,0,0]=4 9973 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)Cl 527a_100000210585_100000736951 [0,2,0,0,0,0|2,0,0]=4 9974 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)F 240690a_100000210585_100000212315 [0,2,0,0,0,0|2,0,0]=4 9975 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)F 527a_100000210585_100000212315 [0,2,0,0,0,0|2,0,0]=4 9976 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)I 240690a_100000210585_100000698340 [0,2,0,0,0,0|2,0,0]=4 9977 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)I 527a_100000210585_100000698340 [0,2,0,0,0,0|2,0,0]=4 9978 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)O 240690a_100000210585_100012352043 [0,2,0,0,0,0|2,0,0]=4 9979 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Br)O 527a_100000210585_100012352043 [0,2,0,0,0,0|2,0,0]=4 9980 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)Br 240690a_100000210585_100000211212 [0,2,0,0,0,0|2,0,0]=4 9981 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)Br 527a_100000210585_100000211212 [0,2,0,0,0,0|2,0,0]=4 9982 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100000210585_100000210642 [0,2,0,0,0,0|2,0,0]=4 9983 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)Cl 527a_100000210585_100000210642 [0,2,0,0,0,0|2,0,0]=4 9984 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)F 240690a_100000210585_100011219680 [0,2,0,0,0,0|2,0,0]=4 9985 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)F 527a_100000210585_100011219680 [0,2,0,0,0,0|2,0,0]=4 9986 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)I 240690a_100000210585_100000688013 [0,2,0,0,0,0|2,0,0]=4 9987 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)I 527a_100000210585_100000688013 [0,2,0,0,0,0|2,0,0]=4 9988 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)O 240690a_100000210585_100000719527 [0,2,0,0,0,0|2,0,0]=4 9989 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1Cl)O 527a_100000210585_100000719527 [0,2,0,0,0,0|2,0,0]=4 9990 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)Br 240690a_100000210585_100000212322 [0,2,0,0,0,0|2,0,0]=4 9991 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)Br 527a_100000210585_100000212322 [0,2,0,0,0,0|2,0,0]=4 9992 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)Cl 240690a_100000210585_100000214954 [0,2,0,0,0,0|2,0,0]=4 9993 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)Cl 527a_100000210585_100000214954 [0,2,0,0,0,0|2,0,0]=4 9994 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)F 240690a_100000210585_100000198512 [0,2,0,0,0,0|2,0,0]=4 9995 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)F 527a_100000210585_100000198512 [0,2,0,0,0,0|2,0,0]=4 9996 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)I 240690a_100000210585_100000688014 [0,2,0,0,0,0|2,0,0]=4 9997 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)I 527a_100000210585_100000688014 [0,2,0,0,0,0|2,0,0]=4 9998 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)O 240690a_100000210585_100000037260 [0,2,0,0,0,0|2,0,0]=4 9999 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1F)O 527a_100000210585_100000037260 [0,2,0,0,0,0|2,0,0]=4 10000 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)Br 240690a_100000210585_100000183945 [0,2,0,0,0,0|2,0,0]=4 10001 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)Cl 240690a_100000210585_100000739379 [0,2,0,0,0,0|2,0,0]=4 10002 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)Cl 527a_100000210585_100000739379 [0,2,0,0,0,0|2,0,0]=4 10003 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)F 240690a_100000210585_100000748905 [0,2,0,0,0,0|2,0,0]=4 10004 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)F 527a_100000210585_100000748905 [0,2,0,0,0,0|2,0,0]=4 10005 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)I 240690a_100000210585_100000750460 [0,2,0,0,0,0|2,0,0]=4 10006 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)I 527a_100000210585_100000750460 [0,2,0,0,0,0|2,0,0]=4 10007 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)O 240690a_100000210585_200009995701 [0,2,0,0,0,0|2,0,0]=4 10008 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1I)O 527a_100000210585_200009995701 [0,2,0,0,0,0|2,0,0]=4 10009 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)Br 240690a_100000210585_100000212140 [0,2,0,0,0,0|2,0,0]=4 10010 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)Br 527a_100000210585_100000212140 [0,2,0,0,0,0|2,0,0]=4 10011 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)Cl 240690a_100000210585_100000212143 [0,2,0,0,0,0|2,0,0]=4 10012 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)Cl 527a_100000210585_100000212143 [0,2,0,0,0,0|2,0,0]=4 10013 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)F 240690a_100000210585_100000742286 [0,2,0,0,0,0|2,0,0]=4 10014 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)F 527a_100000210585_100000742286 [0,2,0,0,0,0|2,0,0]=4 10015 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)I 240690a_100000210585_100000212111 [0,2,0,0,0,0|2,0,0]=4 10016 B16R1.7492 CN(C)CCNC(=O)c1cc(ccc1O)I 527a_100000210585_100000212111 [0,2,0,0,0,0|2,0,0]=4 10017 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)Br 1458a_100000689033_100011214892 [0,2,0,0,0,0|1,0,0]=3 10018 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)C 1458a_100000195421_100011214892 [0,2,0,0,0,0|1,0,0]=3 10019 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)Cl 1458a_100011290873_100011214892 [0,2,0,0,0,0|1,0,0]=3 10020 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)F 1458a_100000749327_100011214892 [0,2,0,0,0,0|1,0,0]=3 10021 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)I 1458a_100000057929_100011214892 [0,2,0,0,0,0|1,0,0]=3 10022 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)C)O 1458a_100000229998_100011214892 [0,2,0,0,0,0|1,0,0]=3 10023 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)Br 1458a_100000689033_200000718107 [0,2,0,0,0,0|2,0,0]=4 10024 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)C 1458a_100000195421_200000718107 [0,2,0,0,0,0|2,0,0]=4 10025 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)Cl 1458a_100011290873_200000718107 [0,2,0,0,0,0|2,0,0]=4 10026 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)F 1458a_100000749327_200000718107 [0,2,0,0,0,0|2,0,0]=4 10027 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)I 1458a_100000057929_200000718107 [0,2,0,0,0,0|2,0,0]=4 10028 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCC(C)O)O 1458a_100000229998_200000718107 [0,2,0,0,0,0|2,0,0]=4 10029 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)Br 1458a_100000689033_100000695564 [0,2,0,0,0,0|2,0,0]=4 10030 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)C 1458a_100000195421_100000695564 [0,2,0,0,0,0|2,0,0]=4 10031 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)Cl 1458a_100011290873_100000695564 [0,2,0,0,0,0|2,0,0]=4 10032 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)F 1458a_100000749327_100000695564 [0,2,0,0,0,0|2,0,0]=4 10033 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)I 1458a_100000057929_100000695564 [0,2,0,0,0,0|2,0,0]=4 10034 B16R1.7492 Cc1ccc(c(c1)C(=O)CCCN(C)C)O 1458a_100000229998_100000695564 [0,2,0,0,0,0|2,0,0]=4 10035 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)Br 1458a_100000689033_100000211751 [0,2,0,0,0,0|2,0,0]=4 10036 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)C 1458a_100000195421_100000211751 [0,2,0,0,0,0|2,0,0]=4 10037 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)Cl 1458a_100011290873_100000211751 [0,2,0,0,0,0|2,0,0]=4 10038 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)F 1458a_100000749327_100000211751 [0,2,0,0,0,0|2,0,0]=4 10039 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)I 1458a_100000057929_100000211751 [0,2,0,0,0,0|2,0,0]=4 10040 B16R1.7492 Cc1ccc(c(c1)C(=O)CCOC(C)C)O 1458a_100000229998_100000211751 [0,2,0,0,0,0|2,0,0]=4 10041 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)Br 1458a_100000689033_100000730970 [0,2,0,0,0,0|2,0,0]=4 10042 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)C 1458a_100000195421_100000730970 [0,2,0,0,0,0|2,0,0]=4 10043 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)Cl 1458a_100011290873_100000730970 [0,2,0,0,0,0|2,0,0]=4 10044 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)F 1458a_100000749327_100000730970 [0,2,0,0,0,0|2,0,0]=4 10045 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)I 1458a_100000057929_100000730970 [0,2,0,0,0,0|2,0,0]=4 10046 B16R1.7492 Cc1ccc(c(c1)C(=O)CCSC(C)C)O 1458a_100000229998_100000730970 [0,2,0,0,0,0|2,0,0]=4 10047 B16R1.7492 Cc1ccc(c(c1)C(=O)CNCC(C)C)C 2230a_100000210953_100000183774 [0,2,0,0,0,0|2,0,0]=4 10048 B16R1.7492 Cc1ccc(c(c1)C(=O)CNCC(C)C)C 34a_100000210953_100000183774 [0,2,0,0,0,0|2,0,0]=4 10049 B16R1.7492 Cc1ccc(c(c1)C(=O)COCC(C)C)C 34a_100000210257_100000183774 [0,2,0,0,0,0|2,0,0]=4 10050 B16R1.7492 Cc1ccc(c(c1)C(=O)CSCC(C)C)C 62a_100000183774_100000210760 [0,2,0,0,0,0|2,0,0]=4 10051 B16R1.7492 Cc1ccc(c(c1)C(=O)CSCC(C)C)C 62a_100000210624_100000183774 [0,2,0,0,0,0|2,0,0]=4 10052 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Br 11a_100000210545_100000689033 [0,2,0,0,0,0|1,0,0]=3 10053 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Br 1626a_100000210545_100000689033 [0,2,0,0,0,0|1,0,0]=3 10054 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Br 240690a_100000210545_100000689033 [0,2,0,0,0,0|1,0,0]=3 10055 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Br 527a_100000210545_100000689033 [0,2,0,0,0,0|1,0,0]=3 10056 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)C 11a_100000210545_100000195421 [0,2,0,0,0,0|1,0,0]=3 10057 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)C 1626a_100000210545_100000195421 [0,2,0,0,0,0|1,0,0]=3 10058 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)C 240690a_100000210545_100000195421 [0,2,0,0,0,0|1,0,0]=3 10059 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)C 527a_100000210545_100000195421 [0,2,0,0,0,0|1,0,0]=3 10060 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Cl 11a_100000210545_100011290873 [0,2,0,0,0,0|1,0,0]=3 10061 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Cl 1626a_100000210545_100011290873 [0,2,0,0,0,0|1,0,0]=3 10062 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Cl 240690a_100000210545_100011290873 [0,2,0,0,0,0|1,0,0]=3 10063 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)Cl 527a_100000210545_100011290873 [0,2,0,0,0,0|1,0,0]=3 10064 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)F 11a_100000210545_100000749327 [0,2,0,0,0,0|1,0,0]=3 10065 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)F 1626a_100000210545_100000749327 [0,2,0,0,0,0|1,0,0]=3 10066 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)F 240690a_100000210545_100000749327 [0,2,0,0,0,0|1,0,0]=3 10067 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)F 527a_100000210545_100000749327 [0,2,0,0,0,0|1,0,0]=3 10068 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)I 11a_100000210545_100000057929 [0,2,0,0,0,0|1,0,0]=3 10069 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)I 1626a_100000210545_100000057929 [0,2,0,0,0,0|1,0,0]=3 10070 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)I 240690a_100000210545_100000057929 [0,2,0,0,0,0|1,0,0]=3 10071 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)I 527a_100000210545_100000057929 [0,2,0,0,0,0|1,0,0]=3 10072 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)O 240690a_100000210545_100000229998 [0,2,0,0,0,0|1,0,0]=3 10073 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)C)O 527a_100000210545_100000229998 [0,2,0,0,0,0|1,0,0]=3 10074 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)Br 240690a_200000755665_100000689033 [0,2,0,0,0,0|2,0,0]=4 10075 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)Br 527a_200000755665_100000689033 [0,2,0,0,0,0|2,0,0]=4 10076 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)C 240690a_200000755665_100000195421 [0,2,0,0,0,0|2,0,0]=4 10077 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)C 527a_200000755665_100000195421 [0,2,0,0,0,0|2,0,0]=4 10078 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)Cl 240690a_200000755665_100011290873 [0,2,0,0,0,0|2,0,0]=4 10079 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)Cl 527a_200000755665_100011290873 [0,2,0,0,0,0|2,0,0]=4 10080 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)F 240690a_200000755665_100000749327 [0,2,0,0,0,0|2,0,0]=4 10081 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)F 527a_200000755665_100000749327 [0,2,0,0,0,0|2,0,0]=4 10082 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)I 240690a_200000755665_100000057929 [0,2,0,0,0,0|2,0,0]=4 10083 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)I 527a_200000755665_100000057929 [0,2,0,0,0,0|2,0,0]=4 10084 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)O 240690a_200000755665_100000229998 [0,2,0,0,0,0|2,0,0]=4 10085 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCC(C)O)O 527a_200000755665_100000229998 [0,2,0,0,0,0|2,0,0]=4 10086 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)Br 240690a_100000210585_100000689033 [0,2,0,0,0,0|2,0,0]=4 10087 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)Br 527a_100000210585_100000689033 [0,2,0,0,0,0|2,0,0]=4 10088 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)C 240690a_100000210585_100000195421 [0,2,0,0,0,0|2,0,0]=4 10089 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)C 527a_100000210585_100000195421 [0,2,0,0,0,0|2,0,0]=4 10090 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)Cl 240690a_100000210585_100011290873 [0,2,0,0,0,0|2,0,0]=4 10091 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)Cl 527a_100000210585_100011290873 [0,2,0,0,0,0|2,0,0]=4 10092 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)F 240690a_100000210585_100000749327 [0,2,0,0,0,0|2,0,0]=4 10093 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)F 527a_100000210585_100000749327 [0,2,0,0,0,0|2,0,0]=4 10094 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)I 240690a_100000210585_100000057929 [0,2,0,0,0,0|2,0,0]=4 10095 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)I 527a_100000210585_100000057929 [0,2,0,0,0,0|2,0,0]=4 10096 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)O 240690a_100000210585_100000229998 [0,2,0,0,0,0|2,0,0]=4 10097 B16R1.7492 Cc1ccc(c(c1)C(=O)NCCN(C)C)O 527a_100000210585_100000229998 [0,2,0,0,0,0|2,0,0]=4 10098 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)Br 22a_100000696102_100000689033 [0,2,0,0,0,0|2,0,0]=4 10099 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)C 22a_100000696102_100000195421 [0,2,0,0,0,0|2,0,0]=4 10100 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)Cl 22a_100000696102_100011290873 [0,2,0,0,0,0|2,0,0]=4 10101 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)F 22a_100000696102_100000749327 [0,2,0,0,0,0|2,0,0]=4 10102 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)I 22a_100000696102_100000057929 [0,2,0,0,0,0|2,0,0]=4 10103 B16R1.7492 Cc1ccc(c(c1)C(=O)NNCC(C)C)O 22a_100000696102_100000229998 [0,2,0,0,0,0|2,0,0]=4 10104 B16R1.7492 Cc1ccc(c(c1)C(C)OCCC(C)C)C 34a_200000246511_100000210312 [0,2,0,0,0,0|1,0,1]=4 10105 B16R1.7492 Cc1ccc(c(c1)C(C)OCCC(C)C)C 7a_200000246511_100000210626 [0,2,0,0,0,0|1,0,1]=4 10106 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)C)Br 1458a_100000759961_100011214892 [0,2,0,0,0,0|1,0,0]=3 10107 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)C)Cl 1458a_100000692595_100011214892 [0,2,0,0,0,0|1,0,0]=3 10108 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)C)F 1458a_100000240043_100011214892 [0,2,0,0,0,0|1,0,0]=3 10109 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)C)I 1458a_100000688012_100011214892 [0,2,0,0,0,0|1,0,0]=3 10110 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)C)O 1458a_100000687834_100011214892 [0,2,0,0,0,0|1,0,0]=3 10111 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)O)Br 1458a_100000759961_200000718107 [0,2,0,0,0,0|2,0,0]=4 10112 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)O)Cl 1458a_100000692595_200000718107 [0,2,0,0,0,0|2,0,0]=4 10113 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)O)F 1458a_100000240043_200000718107 [0,2,0,0,0,0|2,0,0]=4 10114 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)O)I 1458a_100000688012_200000718107 [0,2,0,0,0,0|2,0,0]=4 10115 B16R1.7492 Cc1ccc(cc1C(=O)CCCC(C)O)O 1458a_100000687834_200000718107 [0,2,0,0,0,0|2,0,0]=4 10116 B16R1.7492 Cc1ccc(cc1C(=O)CCCN(C)C)Br 1458a_100000759961_100000695564 [0,2,0,0,0,0|2,0,0]=4 10117 B16R1.7492 Cc1ccc(cc1C(=O)CCCN(C)C)Cl 1458a_100000692595_100000695564 [0,2,0,0,0,0|2,0,0]=4 10118 B16R1.7492 Cc1ccc(cc1C(=O)CCCN(C)C)F 1458a_100000240043_100000695564 [0,2,0,0,0,0|2,0,0]=4 10119 B16R1.7492 Cc1ccc(cc1C(=O)CCCN(C)C)I 1458a_100000688012_100000695564 [0,2,0,0,0,0|2,0,0]=4 10120 B16R1.7492 Cc1ccc(cc1C(=O)CCCN(C)C)O 1458a_100000687834_100000695564 [0,2,0,0,0,0|2,0,0]=4 10121 B16R1.7492 Cc1ccc(cc1C(=O)CCOC(C)C)Br 1458a_100000759961_100000211751 [0,2,0,0,0,0|2,0,0]=4 10122 B16R1.7492 Cc1ccc(cc1C(=O)CCOC(C)C)Cl 1458a_100000692595_100000211751 [0,2,0,0,0,0|2,0,0]=4 10123 B16R1.7492 Cc1ccc(cc1C(=O)CCOC(C)C)F 1458a_100000240043_100000211751 [0,2,0,0,0,0|2,0,0]=4 10124 B16R1.7492 Cc1ccc(cc1C(=O)CCOC(C)C)I 1458a_100000688012_100000211751 [0,2,0,0,0,0|2,0,0]=4 10125 B16R1.7492 Cc1ccc(cc1C(=O)CCOC(C)C)O 1458a_100000687834_100000211751 [0,2,0,0,0,0|2,0,0]=4 10126 B16R1.7492 Cc1ccc(cc1C(=O)CCSC(C)C)Br 1458a_100000759961_100000730970 [0,2,0,0,0,0|2,0,0]=4 10127 B16R1.7492 Cc1ccc(cc1C(=O)CCSC(C)C)Cl 1458a_100000692595_100000730970 [0,2,0,0,0,0|2,0,0]=4 10128 B16R1.7492 Cc1ccc(cc1C(=O)CCSC(C)C)F 1458a_100000240043_100000730970 [0,2,0,0,0,0|2,0,0]=4 10129 B16R1.7492 Cc1ccc(cc1C(=O)CCSC(C)C)I 1458a_100000688012_100000730970 [0,2,0,0,0,0|2,0,0]=4 10130 B16R1.7492 Cc1ccc(cc1C(=O)CCSC(C)C)O 1458a_100000687834_100000730970 [0,2,0,0,0,0|2,0,0]=4 10131 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Br 11a_100000210545_100000759961 [0,2,0,0,0,0|1,0,0]=3 10132 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Br 1626a_100000210545_100000759961 [0,2,0,0,0,0|1,0,0]=3 10133 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Br 240690a_100000210545_100000759961 [0,2,0,0,0,0|1,0,0]=3 10134 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Br 527a_100000210545_100000759961 [0,2,0,0,0,0|1,0,0]=3 10135 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Cl 11a_100000210545_100000692595 [0,2,0,0,0,0|1,0,0]=3 10136 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Cl 1626a_100000210545_100000692595 [0,2,0,0,0,0|1,0,0]=3 10137 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Cl 240690a_100000210545_100000692595 [0,2,0,0,0,0|1,0,0]=3 10138 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)Cl 527a_100000210545_100000692595 [0,2,0,0,0,0|1,0,0]=3 10139 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)F 11a_100000210545_100000240043 [0,2,0,0,0,0|1,0,0]=3 10140 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)F 1626a_100000210545_100000240043 [0,2,0,0,0,0|1,0,0]=3 10141 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)F 240690a_100000210545_100000240043 [0,2,0,0,0,0|1,0,0]=3 10142 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)F 527a_100000210545_100000240043 [0,2,0,0,0,0|1,0,0]=3 10143 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)I 11a_100000210545_100000688012 [0,2,0,0,0,0|1,0,0]=3 10144 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)I 1626a_100000210545_100000688012 [0,2,0,0,0,0|1,0,0]=3 10145 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)I 240690a_100000210545_100000688012 [0,2,0,0,0,0|1,0,0]=3 10146 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)I 527a_100000210545_100000688012 [0,2,0,0,0,0|1,0,0]=3 10147 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)C)O 240690a_100000210545_100000687834 [0,2,0,0,0,0|1,0,0]=3 10148 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)Br 240690a_200000755665_100000759961 [0,2,0,0,0,0|2,0,0]=4 10149 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)Br 527a_200000755665_100000759961 [0,2,0,0,0,0|2,0,0]=4 10150 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)Cl 240690a_200000755665_100000692595 [0,2,0,0,0,0|2,0,0]=4 10151 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)Cl 527a_200000755665_100000692595 [0,2,0,0,0,0|2,0,0]=4 10152 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)F 240690a_200000755665_100000240043 [0,2,0,0,0,0|2,0,0]=4 10153 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)F 527a_200000755665_100000240043 [0,2,0,0,0,0|2,0,0]=4 10154 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)I 240690a_200000755665_100000688012 [0,2,0,0,0,0|2,0,0]=4 10155 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)I 527a_200000755665_100000688012 [0,2,0,0,0,0|2,0,0]=4 10156 B16R1.7492 Cc1ccc(cc1C(=O)NCCC(C)O)O 240690a_200000755665_100000687834 [0,2,0,0,0,0|2,0,0]=4 10157 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)Br 240690a_100000210585_100000759961 [0,2,0,0,0,0|2,0,0]=4 10158 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)Br 527a_100000210585_100000759961 [0,2,0,0,0,0|2,0,0]=4 10159 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)Cl 240690a_100000210585_100000692595 [0,2,0,0,0,0|2,0,0]=4 10160 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)Cl 527a_100000210585_100000692595 [0,2,0,0,0,0|2,0,0]=4 10161 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)F 240690a_100000210585_100000240043 [0,2,0,0,0,0|2,0,0]=4 10162 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)F 527a_100000210585_100000240043 [0,2,0,0,0,0|2,0,0]=4 10163 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)I 240690a_100000210585_100000688012 [0,2,0,0,0,0|2,0,0]=4 10164 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)I 527a_100000210585_100000688012 [0,2,0,0,0,0|2,0,0]=4 10165 B16R1.7492 Cc1ccc(cc1C(=O)NCCN(C)C)O 240690a_100000210585_100000687834 [0,2,0,0,0,0|2,0,0]=4 10166 B16R1.7492 Cc1ccc(cc1C(=O)NNCC(C)C)Br 22a_100000696102_100000759961 [0,2,0,0,0,0|2,0,0]=4 10167 B16R1.7492 Cc1ccc(cc1C(=O)NNCC(C)C)Cl 22a_100000696102_100000692595 [0,2,0,0,0,0|2,0,0]=4 10168 B16R1.7492 Cc1ccc(cc1C(=O)NNCC(C)C)F 22a_100000696102_100000240043 [0,2,0,0,0,0|2,0,0]=4 10169 B16R1.7492 Cc1ccc(cc1C(=O)NNCC(C)C)I 22a_100000696102_100000688012 [0,2,0,0,0,0|2,0,0]=4 10170 B16R1.7492 Cc1ccc(cc1C(=O)NNCC(C)C)O 22a_100000696102_100000687834 [0,2,0,0,0,0|2,0,0]=4 10171 B16R1.7492 Cc1ccc(cc1C(C)OCCC(C)C)Cl 34a_100012002745_100000210312 [0,2,0,0,0,0|1,0,1]=4 10172 B16R1.7492 Cc1ccc(cc1C(C)OCCC(C)C)Cl 7a_100012002745_100000210626 [0,2,0,0,0,0|1,0,1]=4 10173 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100011214892 [0,2,0,0,0,0|1,0,0]=3 10174 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100011214892 [0,2,0,0,0,0|1,0,0]=3 10175 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100011214892 [0,2,0,0,0,0|1,0,0]=3 10176 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100011214892 [0,2,0,0,0,0|1,0,0]=3 10177 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100011214892 [0,2,0,0,0,0|1,0,0]=3 10178 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100011214892 [0,2,0,0,0,0|1,0,0]=3 10179 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100011214892 [0,2,0,0,0,0|1,0,0]=3 10180 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100011214892 [0,2,0,0,0,0|1,0,0]=3 10181 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100011214892 [0,2,0,0,0,0|1,0,0]=3 10182 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100011214892 [0,2,0,0,0,0|1,0,0]=3 10183 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100011214892 [0,2,0,0,0,0|1,0,0]=3 10184 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100011214892 [0,2,0,0,0,0|1,0,0]=3 10185 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1F)F 1458a_100000748134_100011214892 [0,2,0,0,0,0|1,0,0]=3 10186 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1F)I 1458a_100010185205_100011214892 [0,2,0,0,0,0|1,0,0]=3 10187 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100011214892 [0,2,0,0,0,0|1,0,0]=3 10188 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100011214892 [0,2,0,0,0,0|1,0,0]=3 10189 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100011214892 [0,2,0,0,0,0|1,0,0]=3 10190 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1I)F 1458a_100000690930_100011214892 [0,2,0,0,0,0|1,0,0]=3 10191 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100011214892 [0,2,0,0,0,0|1,0,0]=3 10192 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100011214892 [0,2,0,0,0,0|1,0,0]=3 10193 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100011214892 [0,2,0,0,0,0|1,0,0]=3 10194 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100011214892 [0,2,0,0,0,0|1,0,0]=3 10195 B16R1.11264 CC(C)CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100011214892 [0,2,0,0,0,0|1,0,0]=3 10196 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Br 11a_100000210545_100012360534 [0,2,0,0,0,0|1,0,0]=3 10197 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Br 1626a_100000210545_100012360534 [0,2,0,0,0,0|1,0,0]=3 10198 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Br 240690a_100000210545_100012360534 [0,2,0,0,0,0|1,0,0]=3 10199 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Br 527a_100000210545_100012360534 [0,2,0,0,0,0|1,0,0]=3 10200 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Cl 11a_100000210545_100012339722 [0,2,0,0,0,0|1,0,0]=3 10201 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Cl 1626a_100000210545_100012339722 [0,2,0,0,0,0|1,0,0]=3 10202 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Cl 240690a_100000210545_100012339722 [0,2,0,0,0,0|1,0,0]=3 10203 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)Cl 527a_100000210545_100012339722 [0,2,0,0,0,0|1,0,0]=3 10204 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)F 11a_100000210545_100011217547 [0,2,0,0,0,0|1,0,0]=3 10205 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)F 1626a_100000210545_100011217547 [0,2,0,0,0,0|1,0,0]=3 10206 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)F 240690a_100000210545_100011217547 [0,2,0,0,0,0|1,0,0]=3 10207 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)F 527a_100000210545_100011217547 [0,2,0,0,0,0|1,0,0]=3 10208 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)I 11a_100000210545_100010232522 [0,2,0,0,0,0|1,0,0]=3 10209 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)I 1626a_100000210545_100010232522 [0,2,0,0,0,0|1,0,0]=3 10210 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)I 240690a_100000210545_100010232522 [0,2,0,0,0,0|1,0,0]=3 10211 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)I 527a_100000210545_100010232522 [0,2,0,0,0,0|1,0,0]=3 10212 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)O 240690a_100000210545_100010230362 [0,2,0,0,0,0|1,0,0]=3 10213 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Br)O 527a_100000210545_100010230362 [0,2,0,0,0,0|1,0,0]=3 10214 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Br 11a_100000210545_100000760540 [0,2,0,0,0,0|1,0,0]=3 10215 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Br 1626a_100000210545_100000760540 [0,2,0,0,0,0|1,0,0]=3 10216 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Br 240690a_100000210545_100000760540 [0,2,0,0,0,0|1,0,0]=3 10217 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Br 527a_100000210545_100000760540 [0,2,0,0,0,0|1,0,0]=3 10218 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Cl 11a_100000210545_100000183631 [0,2,0,0,0,0|1,0,0]=3 10219 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Cl 1626a_100000210545_100000183631 [0,2,0,0,0,0|1,0,0]=3 10220 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Cl 240690a_100000210545_100000183631 [0,2,0,0,0,0|1,0,0]=3 10221 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)Cl 527a_100000210545_100000183631 [0,2,0,0,0,0|1,0,0]=3 10222 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)F 11a_100000210545_100000759904 [0,2,0,0,0,0|1,0,0]=3 10223 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)F 1626a_100000210545_100000759904 [0,2,0,0,0,0|1,0,0]=3 10224 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)F 240690a_100000210545_100000759904 [0,2,0,0,0,0|1,0,0]=3 10225 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)F 527a_100000210545_100000759904 [0,2,0,0,0,0|1,0,0]=3 10226 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)I 11a_100000210545_100010176783 [0,2,0,0,0,0|1,0,0]=3 10227 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)I 1626a_100000210545_100010176783 [0,2,0,0,0,0|1,0,0]=3 10228 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)I 240690a_100000210545_100010176783 [0,2,0,0,0,0|1,0,0]=3 10229 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)I 527a_100000210545_100010176783 [0,2,0,0,0,0|1,0,0]=3 10230 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)O 240690a_100000210545_100000092362 [0,2,0,0,0,0|1,0,0]=3 10231 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1Cl)O 527a_100000210545_100000092362 [0,2,0,0,0,0|1,0,0]=3 10232 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Br 11a_100000210545_100000756403 [0,2,0,0,0,0|1,0,0]=3 10233 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Br 1626a_100000210545_100000756403 [0,2,0,0,0,0|1,0,0]=3 10234 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Br 240690a_100000210545_100000756403 [0,2,0,0,0,0|1,0,0]=3 10235 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Br 527a_100000210545_100000756403 [0,2,0,0,0,0|1,0,0]=3 10236 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Cl 11a_100000210545_100000688816 [0,2,0,0,0,0|1,0,0]=3 10237 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Cl 1626a_100000210545_100000688816 [0,2,0,0,0,0|1,0,0]=3 10238 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Cl 240690a_100000210545_100000688816 [0,2,0,0,0,0|1,0,0]=3 10239 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)Cl 527a_100000210545_100000688816 [0,2,0,0,0,0|1,0,0]=3 10240 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)F 11a_100000210545_100000748134 [0,2,0,0,0,0|1,0,0]=3 10241 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)F 1626a_100000210545_100000748134 [0,2,0,0,0,0|1,0,0]=3 10242 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)F 240690a_100000210545_100000748134 [0,2,0,0,0,0|1,0,0]=3 10243 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)F 527a_100000210545_100000748134 [0,2,0,0,0,0|1,0,0]=3 10244 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)I 11a_100000210545_100010185205 [0,2,0,0,0,0|1,0,0]=3 10245 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)I 1626a_100000210545_100010185205 [0,2,0,0,0,0|1,0,0]=3 10246 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)I 240690a_100000210545_100010185205 [0,2,0,0,0,0|1,0,0]=3 10247 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)I 527a_100000210545_100010185205 [0,2,0,0,0,0|1,0,0]=3 10248 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)O 240690a_100000210545_100000037433 [0,2,0,0,0,0|1,0,0]=3 10249 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1F)O 527a_100000210545_100000037433 [0,2,0,0,0,0|1,0,0]=3 10250 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Br 11a_100000210545_100000688019 [0,2,0,0,0,0|1,0,0]=3 10251 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Br 1626a_100000210545_100000688019 [0,2,0,0,0,0|1,0,0]=3 10252 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Br 240690a_100000210545_100000688019 [0,2,0,0,0,0|1,0,0]=3 10253 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Br 527a_100000210545_100000688019 [0,2,0,0,0,0|1,0,0]=3 10254 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Cl 11a_100000210545_100010176784 [0,2,0,0,0,0|1,0,0]=3 10255 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Cl 1626a_100000210545_100010176784 [0,2,0,0,0,0|1,0,0]=3 10256 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Cl 240690a_100000210545_100010176784 [0,2,0,0,0,0|1,0,0]=3 10257 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)Cl 527a_100000210545_100010176784 [0,2,0,0,0,0|1,0,0]=3 10258 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)F 11a_100000210545_100000690930 [0,2,0,0,0,0|1,0,0]=3 10259 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)F 1626a_100000210545_100000690930 [0,2,0,0,0,0|1,0,0]=3 10260 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)F 240690a_100000210545_100000690930 [0,2,0,0,0,0|1,0,0]=3 10261 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)F 527a_100000210545_100000690930 [0,2,0,0,0,0|1,0,0]=3 10262 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1I)O 527a_100000210545_100010084636 [0,2,0,0,0,0|1,0,0]=3 10263 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)Br 240690a_100000210545_100000752940 [0,2,0,0,0,0|1,0,0]=3 10264 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)Br 527a_100000210545_100000752940 [0,2,0,0,0,0|1,0,0]=3 10265 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)Cl 240690a_100000210545_100000742801 [0,2,0,0,0,0|1,0,0]=3 10266 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)Cl 527a_100000210545_100000742801 [0,2,0,0,0,0|1,0,0]=3 10267 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)F 240690a_100000210545_100011217230 [0,2,0,0,0,0|1,0,0]=3 10268 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)F 527a_100000210545_100011217230 [0,2,0,0,0,0|1,0,0]=3 10269 B16R1.11264 CC(C)CCNC(=O)c1cccc(c1O)O 527a_100000210545_100000690420 [0,2,0,0,0,0|1,0,0]=3 10270 B16R1.11264 CC(C)CCOC(C)c1cccc(c1F)Br 34a_200012356376_100000210312 [0,2,0,0,0,0|1,0,1]=4 10271 B16R1.11264 CC(C)CCOC(C)c1cccc(c1F)Br 7a_200012356376_100000210626 [0,2,0,0,0,0|1,0,1]=4 10272 B16R1.11264 CC(C)CCOC(C)c1cccc(c1F)F 34a_100011944069_100000210312 [0,2,0,0,0,0|1,0,1]=4 10273 B16R1.11264 CC(C)CCOC(C)c1cccc(c1F)F 7a_100011944069_100000210626 [0,2,0,0,0,0|1,0,1]=4 10274 B16R1.11264 CC(C)CNCC(=O)c1cccc(c1F)Br 2230a_100000210953_100012356374 [0,2,0,0,0,0|2,0,0]=4 10275 B16R1.11264 CC(C)CNCC(=O)c1cccc(c1F)Br 34a_100000210953_100012356374 [0,2,0,0,0,0|2,0,0]=4 10276 B16R1.11264 CC(C)CNCC(=O)c1cccc(c1F)Cl 2230a_100000210953_200012351890 [0,2,0,0,0,0|2,0,0]=4 10277 B16R1.11264 CC(C)CNCC(=O)c1cccc(c1F)Cl 34a_100000210953_200012351890 [0,2,0,0,0,0|2,0,0]=4 10278 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Br)Br 22a_100000696102_100012360534 [0,2,0,0,0,0|2,0,0]=4 10279 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Br)Cl 22a_100000696102_100012339722 [0,2,0,0,0,0|2,0,0]=4 10280 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Br)F 22a_100000696102_100011217547 [0,2,0,0,0,0|2,0,0]=4 10281 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Br)I 22a_100000696102_100010232522 [0,2,0,0,0,0|2,0,0]=4 10282 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Br)O 22a_100000696102_100010230362 [0,2,0,0,0,0|2,0,0]=4 10283 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Cl)Br 22a_100000696102_100000760540 [0,2,0,0,0,0|2,0,0]=4 10284 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Cl)Cl 22a_100000696102_100000183631 [0,2,0,0,0,0|2,0,0]=4 10285 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Cl)F 22a_100000696102_100000759904 [0,2,0,0,0,0|2,0,0]=4 10286 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Cl)I 22a_100000696102_100010176783 [0,2,0,0,0,0|2,0,0]=4 10287 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1Cl)O 22a_100000696102_100000092362 [0,2,0,0,0,0|2,0,0]=4 10288 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1F)Br 22a_100000696102_100000756403 [0,2,0,0,0,0|2,0,0]=4 10289 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1F)Cl 22a_100000696102_100000688816 [0,2,0,0,0,0|2,0,0]=4 10290 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1F)F 22a_100000696102_100000748134 [0,2,0,0,0,0|2,0,0]=4 10291 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1F)I 22a_100000696102_100010185205 [0,2,0,0,0,0|2,0,0]=4 10292 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1F)O 22a_100000696102_100000037433 [0,2,0,0,0,0|2,0,0]=4 10293 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1I)Br 22a_100000696102_100000688019 [0,2,0,0,0,0|2,0,0]=4 10294 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1I)Cl 22a_100000696102_100010176784 [0,2,0,0,0,0|2,0,0]=4 10295 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1I)F 22a_100000696102_100000690930 [0,2,0,0,0,0|2,0,0]=4 10296 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1I)O 22a_100000696102_100010084636 [0,2,0,0,0,0|2,0,0]=4 10297 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1O)Br 22a_100000696102_100000752940 [0,2,0,0,0,0|2,0,0]=4 10298 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1O)Cl 22a_100000696102_100000742801 [0,2,0,0,0,0|2,0,0]=4 10299 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1O)F 22a_100000696102_100011217230 [0,2,0,0,0,0|2,0,0]=4 10300 B16R1.11264 CC(C)CNNC(=O)c1cccc(c1O)O 22a_100000696102_100000690420 [0,2,0,0,0,0|2,0,0]=4 10301 B16R1.11264 CC(C)COCC(=O)c1cccc(c1F)Br 34a_100000210257_100012356374 [0,2,0,0,0,0|2,0,0]=4 10302 B16R1.11264 CC(C)COCC(=O)c1cccc(c1F)Cl 34a_100000210257_200012351890 [0,2,0,0,0,0|2,0,0]=4 10303 B16R1.11264 CC(C)CSCC(=O)c1cccc(c1F)Br 62a_100000210624_100012356374 [0,2,0,0,0,0|2,0,0]=4 10304 B16R1.11264 CC(C)CSCC(=O)c1cccc(c1F)Br 62a_100012356374_100000210760 [0,2,0,0,0,0|2,0,0]=4 10305 B16R1.11264 CC(C)CSCC(=O)c1cccc(c1F)Cl 62a_100000210624_200012351890 [0,2,0,0,0,0|2,0,0]=4 10306 B16R1.11264 CC(C)CSCC(=O)c1cccc(c1F)Cl 62a_200012351890_100000210760 [0,2,0,0,0,0|2,0,0]=4 10307 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000211751 [0,2,0,0,0,0|2,0,0]=4 10308 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000211751 [0,2,0,0,0,0|2,0,0]=4 10309 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000211751 [0,2,0,0,0,0|2,0,0]=4 10310 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000211751 [0,2,0,0,0,0|2,0,0]=4 10311 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000211751 [0,2,0,0,0,0|2,0,0]=4 10312 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000211751 [0,2,0,0,0,0|2,0,0]=4 10313 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000211751 [0,2,0,0,0,0|2,0,0]=4 10314 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000211751 [0,2,0,0,0,0|2,0,0]=4 10315 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000211751 [0,2,0,0,0,0|2,0,0]=4 10316 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000211751 [0,2,0,0,0,0|2,0,0]=4 10317 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000211751 [0,2,0,0,0,0|2,0,0]=4 10318 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000211751 [0,2,0,0,0,0|2,0,0]=4 10319 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000211751 [0,2,0,0,0,0|2,0,0]=4 10320 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000211751 [0,2,0,0,0,0|2,0,0]=4 10321 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000211751 [0,2,0,0,0,0|2,0,0]=4 10322 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000211751 [0,2,0,0,0,0|2,0,0]=4 10323 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000211751 [0,2,0,0,0,0|2,0,0]=4 10324 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000211751 [0,2,0,0,0,0|2,0,0]=4 10325 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000211751 [0,2,0,0,0,0|2,0,0]=4 10326 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000211751 [0,2,0,0,0,0|2,0,0]=4 10327 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000211751 [0,2,0,0,0,0|2,0,0]=4 10328 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000211751 [0,2,0,0,0,0|2,0,0]=4 10329 B16R1.11264 CC(C)OCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000211751 [0,2,0,0,0,0|2,0,0]=4 10330 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000730970 [0,2,0,0,0,0|2,0,0]=4 10331 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000730970 [0,2,0,0,0,0|2,0,0]=4 10332 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000730970 [0,2,0,0,0,0|2,0,0]=4 10333 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000730970 [0,2,0,0,0,0|2,0,0]=4 10334 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000730970 [0,2,0,0,0,0|2,0,0]=4 10335 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000730970 [0,2,0,0,0,0|2,0,0]=4 10336 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000730970 [0,2,0,0,0,0|2,0,0]=4 10337 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000730970 [0,2,0,0,0,0|2,0,0]=4 10338 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000730970 [0,2,0,0,0,0|2,0,0]=4 10339 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000730970 [0,2,0,0,0,0|2,0,0]=4 10340 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000730970 [0,2,0,0,0,0|2,0,0]=4 10341 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000730970 [0,2,0,0,0,0|2,0,0]=4 10342 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000730970 [0,2,0,0,0,0|2,0,0]=4 10343 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000730970 [0,2,0,0,0,0|2,0,0]=4 10344 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000730970 [0,2,0,0,0,0|2,0,0]=4 10345 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000730970 [0,2,0,0,0,0|2,0,0]=4 10346 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000730970 [0,2,0,0,0,0|2,0,0]=4 10347 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000730970 [0,2,0,0,0,0|2,0,0]=4 10348 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000730970 [0,2,0,0,0,0|2,0,0]=4 10349 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000730970 [0,2,0,0,0,0|2,0,0]=4 10350 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000730970 [0,2,0,0,0,0|2,0,0]=4 10351 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000730970 [0,2,0,0,0,0|2,0,0]=4 10352 B16R1.11264 CC(C)SCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000730970 [0,2,0,0,0,0|2,0,0]=4 10353 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000718107 [0,2,0,0,0,0|2,0,0]=4 10354 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000718107 [0,2,0,0,0,0|2,0,0]=4 10355 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_200000718107 [0,2,0,0,0,0|2,0,0]=4 10356 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_200000718107 [0,2,0,0,0,0|2,0,0]=4 10357 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_200000718107 [0,2,0,0,0,0|2,0,0]=4 10358 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000718107 [0,2,0,0,0,0|2,0,0]=4 10359 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000718107 [0,2,0,0,0,0|2,0,0]=4 10360 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000718107 [0,2,0,0,0,0|2,0,0]=4 10361 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000718107 [0,2,0,0,0,0|2,0,0]=4 10362 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000718107 [0,2,0,0,0,0|2,0,0]=4 10363 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_200000718107 [0,2,0,0,0,0|2,0,0]=4 10364 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000718107 [0,2,0,0,0,0|2,0,0]=4 10365 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1F)F 1458a_100000748134_200000718107 [0,2,0,0,0,0|2,0,0]=4 10366 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1F)I 1458a_100010185205_200000718107 [0,2,0,0,0,0|2,0,0]=4 10367 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1F)O 1458a_100000037433_200000718107 [0,2,0,0,0,0|2,0,0]=4 10368 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_200000718107 [0,2,0,0,0,0|2,0,0]=4 10369 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000718107 [0,2,0,0,0,0|2,0,0]=4 10370 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1I)F 1458a_100000690930_200000718107 [0,2,0,0,0,0|2,0,0]=4 10371 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1I)O 1458a_100010084636_200000718107 [0,2,0,0,0,0|2,0,0]=4 10372 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_200000718107 [0,2,0,0,0,0|2,0,0]=4 10373 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000718107 [0,2,0,0,0,0|2,0,0]=4 10374 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1O)F 1458a_100011217230_200000718107 [0,2,0,0,0,0|2,0,0]=4 10375 B16R1.11264 CC(O)CCCC(=O)c1cccc(c1O)O 1458a_100000690420_200000718107 [0,2,0,0,0,0|2,0,0]=4 10376 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)Br 240690a_200000755665_100012360534 [0,2,0,0,0,0|2,0,0]=4 10377 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)Br 527a_200000755665_100012360534 [0,2,0,0,0,0|2,0,0]=4 10378 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)Cl 240690a_200000755665_100012339722 [0,2,0,0,0,0|2,0,0]=4 10379 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)Cl 527a_200000755665_100012339722 [0,2,0,0,0,0|2,0,0]=4 10380 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)F 240690a_200000755665_100011217547 [0,2,0,0,0,0|2,0,0]=4 10381 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)F 527a_200000755665_100011217547 [0,2,0,0,0,0|2,0,0]=4 10382 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)I 240690a_200000755665_100010232522 [0,2,0,0,0,0|2,0,0]=4 10383 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)I 527a_200000755665_100010232522 [0,2,0,0,0,0|2,0,0]=4 10384 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)O 240690a_200000755665_100010230362 [0,2,0,0,0,0|2,0,0]=4 10385 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Br)O 527a_200000755665_100010230362 [0,2,0,0,0,0|2,0,0]=4 10386 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)Br 240690a_200000755665_100000760540 [0,2,0,0,0,0|2,0,0]=4 10387 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)Br 527a_200000755665_100000760540 [0,2,0,0,0,0|2,0,0]=4 10388 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)Cl 240690a_200000755665_100000183631 [0,2,0,0,0,0|2,0,0]=4 10389 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)Cl 527a_200000755665_100000183631 [0,2,0,0,0,0|2,0,0]=4 10390 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)F 240690a_200000755665_100000759904 [0,2,0,0,0,0|2,0,0]=4 10391 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)F 527a_200000755665_100000759904 [0,2,0,0,0,0|2,0,0]=4 10392 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)I 240690a_200000755665_100010176783 [0,2,0,0,0,0|2,0,0]=4 10393 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)I 527a_200000755665_100010176783 [0,2,0,0,0,0|2,0,0]=4 10394 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)O 240690a_200000755665_100000092362 [0,2,0,0,0,0|2,0,0]=4 10395 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1Cl)O 527a_200000755665_100000092362 [0,2,0,0,0,0|2,0,0]=4 10396 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)Br 240690a_200000755665_100000756403 [0,2,0,0,0,0|2,0,0]=4 10397 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)Br 527a_200000755665_100000756403 [0,2,0,0,0,0|2,0,0]=4 10398 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)Cl 240690a_200000755665_100000688816 [0,2,0,0,0,0|2,0,0]=4 10399 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)Cl 527a_200000755665_100000688816 [0,2,0,0,0,0|2,0,0]=4 10400 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)F 240690a_200000755665_100000748134 [0,2,0,0,0,0|2,0,0]=4 10401 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)F 527a_200000755665_100000748134 [0,2,0,0,0,0|2,0,0]=4 10402 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)I 240690a_200000755665_100010185205 [0,2,0,0,0,0|2,0,0]=4 10403 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)I 527a_200000755665_100010185205 [0,2,0,0,0,0|2,0,0]=4 10404 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)O 240690a_200000755665_100000037433 [0,2,0,0,0,0|2,0,0]=4 10405 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1F)O 527a_200000755665_100000037433 [0,2,0,0,0,0|2,0,0]=4 10406 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)Br 240690a_200000755665_100000688019 [0,2,0,0,0,0|2,0,0]=4 10407 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)Br 527a_200000755665_100000688019 [0,2,0,0,0,0|2,0,0]=4 10408 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)Cl 240690a_200000755665_100010176784 [0,2,0,0,0,0|2,0,0]=4 10409 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)Cl 527a_200000755665_100010176784 [0,2,0,0,0,0|2,0,0]=4 10410 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)F 240690a_200000755665_100000690930 [0,2,0,0,0,0|2,0,0]=4 10411 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)F 527a_200000755665_100000690930 [0,2,0,0,0,0|2,0,0]=4 10412 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1I)O 527a_200000755665_100010084636 [0,2,0,0,0,0|2,0,0]=4 10413 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)Br 240690a_200000755665_100000752940 [0,2,0,0,0,0|2,0,0]=4 10414 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)Br 527a_200000755665_100000752940 [0,2,0,0,0,0|2,0,0]=4 10415 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)Cl 240690a_200000755665_100000742801 [0,2,0,0,0,0|2,0,0]=4 10416 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)Cl 527a_200000755665_100000742801 [0,2,0,0,0,0|2,0,0]=4 10417 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)F 240690a_200000755665_100011217230 [0,2,0,0,0,0|2,0,0]=4 10418 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)F 527a_200000755665_100011217230 [0,2,0,0,0,0|2,0,0]=4 10419 B16R1.11264 CC(O)CCNC(=O)c1cccc(c1O)O 527a_200000755665_100000690420 [0,2,0,0,0,0|2,0,0]=4 10420 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000695564 [0,2,0,0,0,0|2,0,0]=4 10421 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000695564 [0,2,0,0,0,0|2,0,0]=4 10422 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000695564 [0,2,0,0,0,0|2,0,0]=4 10423 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000695564 [0,2,0,0,0,0|2,0,0]=4 10424 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000695564 [0,2,0,0,0,0|2,0,0]=4 10425 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000695564 [0,2,0,0,0,0|2,0,0]=4 10426 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000695564 [0,2,0,0,0,0|2,0,0]=4 10427 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000695564 [0,2,0,0,0,0|2,0,0]=4 10428 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000695564 [0,2,0,0,0,0|2,0,0]=4 10429 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000695564 [0,2,0,0,0,0|2,0,0]=4 10430 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000695564 [0,2,0,0,0,0|2,0,0]=4 10431 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000695564 [0,2,0,0,0,0|2,0,0]=4 10432 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000695564 [0,2,0,0,0,0|2,0,0]=4 10433 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000695564 [0,2,0,0,0,0|2,0,0]=4 10434 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000695564 [0,2,0,0,0,0|2,0,0]=4 10435 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000695564 [0,2,0,0,0,0|2,0,0]=4 10436 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000695564 [0,2,0,0,0,0|2,0,0]=4 10437 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000695564 [0,2,0,0,0,0|2,0,0]=4 10438 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000695564 [0,2,0,0,0,0|2,0,0]=4 10439 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000695564 [0,2,0,0,0,0|2,0,0]=4 10440 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000695564 [0,2,0,0,0,0|2,0,0]=4 10441 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000695564 [0,2,0,0,0,0|2,0,0]=4 10442 B16R1.11264 CN(C)CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000695564 [0,2,0,0,0,0|2,0,0]=4 10443 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)Br 240690a_100000210585_100012360534 [0,2,0,0,0,0|2,0,0]=4 10444 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)Br 527a_100000210585_100012360534 [0,2,0,0,0,0|2,0,0]=4 10445 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)Cl 240690a_100000210585_100012339722 [0,2,0,0,0,0|2,0,0]=4 10446 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)Cl 527a_100000210585_100012339722 [0,2,0,0,0,0|2,0,0]=4 10447 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)F 240690a_100000210585_100011217547 [0,2,0,0,0,0|2,0,0]=4 10448 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)F 527a_100000210585_100011217547 [0,2,0,0,0,0|2,0,0]=4 10449 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)I 240690a_100000210585_100010232522 [0,2,0,0,0,0|2,0,0]=4 10450 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)I 527a_100000210585_100010232522 [0,2,0,0,0,0|2,0,0]=4 10451 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)O 240690a_100000210585_100010230362 [0,2,0,0,0,0|2,0,0]=4 10452 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Br)O 527a_100000210585_100010230362 [0,2,0,0,0,0|2,0,0]=4 10453 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)Br 240690a_100000210585_100000760540 [0,2,0,0,0,0|2,0,0]=4 10454 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)Br 527a_100000210585_100000760540 [0,2,0,0,0,0|2,0,0]=4 10455 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)Cl 240690a_100000210585_100000183631 [0,2,0,0,0,0|2,0,0]=4 10456 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)Cl 527a_100000210585_100000183631 [0,2,0,0,0,0|2,0,0]=4 10457 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)F 240690a_100000210585_100000759904 [0,2,0,0,0,0|2,0,0]=4 10458 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)F 527a_100000210585_100000759904 [0,2,0,0,0,0|2,0,0]=4 10459 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)I 240690a_100000210585_100010176783 [0,2,0,0,0,0|2,0,0]=4 10460 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)I 527a_100000210585_100010176783 [0,2,0,0,0,0|2,0,0]=4 10461 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)O 240690a_100000210585_100000092362 [0,2,0,0,0,0|2,0,0]=4 10462 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1Cl)O 527a_100000210585_100000092362 [0,2,0,0,0,0|2,0,0]=4 10463 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)Br 240690a_100000210585_100000756403 [0,2,0,0,0,0|2,0,0]=4 10464 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)Br 527a_100000210585_100000756403 [0,2,0,0,0,0|2,0,0]=4 10465 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)Cl 240690a_100000210585_100000688816 [0,2,0,0,0,0|2,0,0]=4 10466 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)Cl 527a_100000210585_100000688816 [0,2,0,0,0,0|2,0,0]=4 10467 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)F 240690a_100000210585_100000748134 [0,2,0,0,0,0|2,0,0]=4 10468 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)F 527a_100000210585_100000748134 [0,2,0,0,0,0|2,0,0]=4 10469 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)I 240690a_100000210585_100010185205 [0,2,0,0,0,0|2,0,0]=4 10470 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)I 527a_100000210585_100010185205 [0,2,0,0,0,0|2,0,0]=4 10471 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)O 240690a_100000210585_100000037433 [0,2,0,0,0,0|2,0,0]=4 10472 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1F)O 527a_100000210585_100000037433 [0,2,0,0,0,0|2,0,0]=4 10473 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)Br 240690a_100000210585_100000688019 [0,2,0,0,0,0|2,0,0]=4 10474 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)Br 527a_100000210585_100000688019 [0,2,0,0,0,0|2,0,0]=4 10475 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)Cl 240690a_100000210585_100010176784 [0,2,0,0,0,0|2,0,0]=4 10476 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)Cl 527a_100000210585_100010176784 [0,2,0,0,0,0|2,0,0]=4 10477 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)F 240690a_100000210585_100000690930 [0,2,0,0,0,0|2,0,0]=4 10478 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)F 527a_100000210585_100000690930 [0,2,0,0,0,0|2,0,0]=4 10479 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1I)O 527a_100000210585_100010084636 [0,2,0,0,0,0|2,0,0]=4 10480 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)Br 240690a_100000210585_100000752940 [0,2,0,0,0,0|2,0,0]=4 10481 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)Br 527a_100000210585_100000752940 [0,2,0,0,0,0|2,0,0]=4 10482 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)Cl 240690a_100000210585_100000742801 [0,2,0,0,0,0|2,0,0]=4 10483 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)Cl 527a_100000210585_100000742801 [0,2,0,0,0,0|2,0,0]=4 10484 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)F 240690a_100000210585_100011217230 [0,2,0,0,0,0|2,0,0]=4 10485 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)F 527a_100000210585_100011217230 [0,2,0,0,0,0|2,0,0]=4 10486 B16R1.11264 CN(C)CCNC(=O)c1cccc(c1O)O 527a_100000210585_100000690420 [0,2,0,0,0,0|2,0,0]=4 10487 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)C)Br 1458a_100000760464_100011214892 [0,2,0,0,0,0|1,0,0]=3 10488 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)C)Cl 1458a_100000690184_100011214892 [0,2,0,0,0,0|1,0,0]=3 10489 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)C)F 1458a_100011218272_100011214892 [0,2,0,0,0,0|1,0,0]=3 10490 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)C)I 1458a_100000751865_100011214892 [0,2,0,0,0,0|1,0,0]=3 10491 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)C)O 1458a_100000766327_100011214892 [0,2,0,0,0,0|1,0,0]=3 10492 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)O)Br 1458a_100000760464_200000718107 [0,2,0,0,0,0|2,0,0]=4 10493 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)O)Cl 1458a_100000690184_200000718107 [0,2,0,0,0,0|2,0,0]=4 10494 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)O)F 1458a_100011218272_200000718107 [0,2,0,0,0,0|2,0,0]=4 10495 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)O)I 1458a_100000751865_200000718107 [0,2,0,0,0,0|2,0,0]=4 10496 B16R1.11264 Cc1c(cccc1C(=O)CCCC(C)O)O 1458a_100000766327_200000718107 [0,2,0,0,0,0|2,0,0]=4 10497 B16R1.11264 Cc1c(cccc1C(=O)CCCN(C)C)Br 1458a_100000760464_100000695564 [0,2,0,0,0,0|2,0,0]=4 10498 B16R1.11264 Cc1c(cccc1C(=O)CCCN(C)C)Cl 1458a_100000690184_100000695564 [0,2,0,0,0,0|2,0,0]=4 10499 B16R1.11264 Cc1c(cccc1C(=O)CCCN(C)C)F 1458a_100011218272_100000695564 [0,2,0,0,0,0|2,0,0]=4 10500 B16R1.11264 Cc1c(cccc1C(=O)CCCN(C)C)I 1458a_100000751865_100000695564 [0,2,0,0,0,0|2,0,0]=4 10501 B16R1.11264 Cc1c(cccc1C(=O)CCCN(C)C)O 1458a_100000766327_100000695564 [0,2,0,0,0,0|2,0,0]=4 10502 B16R1.11264 Cc1c(cccc1C(=O)CCOC(C)C)Br 1458a_100000760464_100000211751 [0,2,0,0,0,0|2,0,0]=4 10503 B16R1.11264 Cc1c(cccc1C(=O)CCOC(C)C)Cl 1458a_100000690184_100000211751 [0,2,0,0,0,0|2,0,0]=4 10504 B16R1.11264 Cc1c(cccc1C(=O)CCOC(C)C)F 1458a_100011218272_100000211751 [0,2,0,0,0,0|2,0,0]=4 10505 B16R1.11264 Cc1c(cccc1C(=O)CCOC(C)C)I 1458a_100000751865_100000211751 [0,2,0,0,0,0|2,0,0]=4 10506 B16R1.11264 Cc1c(cccc1C(=O)CCOC(C)C)O 1458a_100000766327_100000211751 [0,2,0,0,0,0|2,0,0]=4 10507 B16R1.11264 Cc1c(cccc1C(=O)CCSC(C)C)Br 1458a_100000760464_100000730970 [0,2,0,0,0,0|2,0,0]=4 10508 B16R1.11264 Cc1c(cccc1C(=O)CCSC(C)C)Cl 1458a_100000690184_100000730970 [0,2,0,0,0,0|2,0,0]=4 10509 B16R1.11264 Cc1c(cccc1C(=O)CCSC(C)C)F 1458a_100011218272_100000730970 [0,2,0,0,0,0|2,0,0]=4 10510 B16R1.11264 Cc1c(cccc1C(=O)CCSC(C)C)I 1458a_100000751865_100000730970 [0,2,0,0,0,0|2,0,0]=4 10511 B16R1.11264 Cc1c(cccc1C(=O)CCSC(C)C)O 1458a_100000766327_100000730970 [0,2,0,0,0,0|2,0,0]=4 10512 B16R1.11264 Cc1c(cccc1C(=O)CNCC(C)C)I 34a_100000210953_100160470822 [0,2,0,0,0,0|2,0,0]=4 10513 B16R1.11264 Cc1c(cccc1C(=O)COCC(C)C)I 34a_100000210257_100160470822 [0,2,0,0,0,0|2,0,0]=4 10514 B16R1.11264 Cc1c(cccc1C(=O)CSCC(C)C)I 62a_100000210624_100160470822 [0,2,0,0,0,0|2,0,0]=4 10515 B16R1.11264 Cc1c(cccc1C(=O)CSCC(C)C)I 62a_100160470822_100000210760 [0,2,0,0,0,0|2,0,0]=4 10516 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Br 11a_100000210545_100000760464 [0,2,0,0,0,0|1,0,0]=3 10517 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Br 1626a_100000210545_100000760464 [0,2,0,0,0,0|1,0,0]=3 10518 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Br 240690a_100000210545_100000760464 [0,2,0,0,0,0|1,0,0]=3 10519 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Br 527a_100000210545_100000760464 [0,2,0,0,0,0|1,0,0]=3 10520 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Cl 11a_100000210545_100000690184 [0,2,0,0,0,0|1,0,0]=3 10521 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Cl 1626a_100000210545_100000690184 [0,2,0,0,0,0|1,0,0]=3 10522 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Cl 240690a_100000210545_100000690184 [0,2,0,0,0,0|1,0,0]=3 10523 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)Cl 527a_100000210545_100000690184 [0,2,0,0,0,0|1,0,0]=3 10524 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)F 11a_100000210545_100011218272 [0,2,0,0,0,0|1,0,0]=3 10525 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)F 1626a_100000210545_100011218272 [0,2,0,0,0,0|1,0,0]=3 10526 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)F 240690a_100000210545_100011218272 [0,2,0,0,0,0|1,0,0]=3 10527 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)F 527a_100000210545_100011218272 [0,2,0,0,0,0|1,0,0]=3 10528 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)I 11a_100000210545_100000751865 [0,2,0,0,0,0|1,0,0]=3 10529 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)I 1626a_100000210545_100000751865 [0,2,0,0,0,0|1,0,0]=3 10530 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)I 240690a_100000210545_100000751865 [0,2,0,0,0,0|1,0,0]=3 10531 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)I 527a_100000210545_100000751865 [0,2,0,0,0,0|1,0,0]=3 10532 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)O 240690a_100000210545_100000766327 [0,2,0,0,0,0|1,0,0]=3 10533 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)C)O 527a_100000210545_100000766327 [0,2,0,0,0,0|1,0,0]=3 10534 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)Br 240690a_200000755665_100000760464 [0,2,0,0,0,0|2,0,0]=4 10535 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)Br 527a_200000755665_100000760464 [0,2,0,0,0,0|2,0,0]=4 10536 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)Cl 240690a_200000755665_100000690184 [0,2,0,0,0,0|2,0,0]=4 10537 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)Cl 527a_200000755665_100000690184 [0,2,0,0,0,0|2,0,0]=4 10538 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)F 240690a_200000755665_100011218272 [0,2,0,0,0,0|2,0,0]=4 10539 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)F 527a_200000755665_100011218272 [0,2,0,0,0,0|2,0,0]=4 10540 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)I 240690a_200000755665_100000751865 [0,2,0,0,0,0|2,0,0]=4 10541 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)I 527a_200000755665_100000751865 [0,2,0,0,0,0|2,0,0]=4 10542 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)O 240690a_200000755665_100000766327 [0,2,0,0,0,0|2,0,0]=4 10543 B16R1.11264 Cc1c(cccc1C(=O)NCCC(C)O)O 527a_200000755665_100000766327 [0,2,0,0,0,0|2,0,0]=4 10544 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)Br 240690a_100000210585_100000760464 [0,2,0,0,0,0|2,0,0]=4 10545 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)Br 527a_100000210585_100000760464 [0,2,0,0,0,0|2,0,0]=4 10546 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)Cl 240690a_100000210585_100000690184 [0,2,0,0,0,0|2,0,0]=4 10547 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)Cl 527a_100000210585_100000690184 [0,2,0,0,0,0|2,0,0]=4 10548 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)F 240690a_100000210585_100011218272 [0,2,0,0,0,0|2,0,0]=4 10549 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)F 527a_100000210585_100011218272 [0,2,0,0,0,0|2,0,0]=4 10550 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)I 240690a_100000210585_100000751865 [0,2,0,0,0,0|2,0,0]=4 10551 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)I 527a_100000210585_100000751865 [0,2,0,0,0,0|2,0,0]=4 10552 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)O 240690a_100000210585_100000766327 [0,2,0,0,0,0|2,0,0]=4 10553 B16R1.11264 Cc1c(cccc1C(=O)NCCN(C)C)O 527a_100000210585_100000766327 [0,2,0,0,0,0|2,0,0]=4 10554 B16R1.11264 Cc1c(cccc1C(=O)NNCC(C)C)Br 22a_100000696102_100000760464 [0,2,0,0,0,0|2,0,0]=4 10555 B16R1.11264 Cc1c(cccc1C(=O)NNCC(C)C)Cl 22a_100000696102_100000690184 [0,2,0,0,0,0|2,0,0]=4 10556 B16R1.11264 Cc1c(cccc1C(=O)NNCC(C)C)F 22a_100000696102_100011218272 [0,2,0,0,0,0|2,0,0]=4 10557 B16R1.11264 Cc1c(cccc1C(=O)NNCC(C)C)I 22a_100000696102_100000751865 [0,2,0,0,0,0|2,0,0]=4 10558 B16R1.11264 Cc1c(cccc1C(=O)NNCC(C)C)O 22a_100000696102_100000766327 [0,2,0,0,0,0|2,0,0]=4 10559 B16R1.11264 Cc1cccc(c1Br)C(=O)CCCC(C)C 1458a_100000692419_100011214892 [0,2,0,0,0,0|1,0,0]=3 10560 B16R1.11264 Cc1cccc(c1Br)C(=O)CCCC(C)O 1458a_100000692419_200000718107 [0,2,0,0,0,0|2,0,0]=4 10561 B16R1.11264 Cc1cccc(c1Br)C(=O)CCCN(C)C 1458a_100000692419_100000695564 [0,2,0,0,0,0|2,0,0]=4 10562 B16R1.11264 Cc1cccc(c1Br)C(=O)CCOC(C)C 1458a_100000692419_100000211751 [0,2,0,0,0,0|2,0,0]=4 10563 B16R1.11264 Cc1cccc(c1Br)C(=O)CCSC(C)C 1458a_100000692419_100000730970 [0,2,0,0,0,0|2,0,0]=4 10564 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)C 11a_100000210545_100000692419 [0,2,0,0,0,0|1,0,0]=3 10565 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)C 1626a_100000210545_100000692419 [0,2,0,0,0,0|1,0,0]=3 10566 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)C 240690a_100000210545_100000692419 [0,2,0,0,0,0|1,0,0]=3 10567 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)C 527a_100000210545_100000692419 [0,2,0,0,0,0|1,0,0]=3 10568 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)O 240690a_200000755665_100000692419 [0,2,0,0,0,0|2,0,0]=4 10569 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCC(C)O 527a_200000755665_100000692419 [0,2,0,0,0,0|2,0,0]=4 10570 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCN(C)C 240690a_100000210585_100000692419 [0,2,0,0,0,0|2,0,0]=4 10571 B16R1.11264 Cc1cccc(c1Br)C(=O)NCCN(C)C 527a_100000210585_100000692419 [0,2,0,0,0,0|2,0,0]=4 10572 B16R1.11264 Cc1cccc(c1Br)C(=O)NNCC(C)C 22a_100000696102_100000692419 [0,2,0,0,0,0|2,0,0]=4 10573 B16R1.11264 Cc1cccc(c1C)C(=O)CCCC(C)C 1458a_100000183679_100011214892 [0,2,0,0,0,0|1,0,0]=3 10574 B16R1.11264 Cc1cccc(c1C)C(=O)CCCC(C)O 1458a_100000183679_200000718107 [0,2,0,0,0,0|2,0,0]=4 10575 B16R1.11264 Cc1cccc(c1C)C(=O)CCCN(C)C 1458a_100000183679_100000695564 [0,2,0,0,0,0|2,0,0]=4 10576 B16R1.11264 Cc1cccc(c1C)C(=O)CCOC(C)C 1458a_100000183679_100000211751 [0,2,0,0,0,0|2,0,0]=4 10577 B16R1.11264 Cc1cccc(c1C)C(=O)CCSC(C)C 1458a_100000183679_100000730970 [0,2,0,0,0,0|2,0,0]=4 10578 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)C 11a_100000210545_100000183679 [0,2,0,0,0,0|1,0,0]=3 10579 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)C 1626a_100000210545_100000183679 [0,2,0,0,0,0|1,0,0]=3 10580 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)C 240690a_100000210545_100000183679 [0,2,0,0,0,0|1,0,0]=3 10581 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)C 527a_100000210545_100000183679 [0,2,0,0,0,0|1,0,0]=3 10582 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)O 240690a_200000755665_100000183679 [0,2,0,0,0,0|2,0,0]=4 10583 B16R1.11264 Cc1cccc(c1C)C(=O)NCCC(C)O 527a_200000755665_100000183679 [0,2,0,0,0,0|2,0,0]=4 10584 B16R1.11264 Cc1cccc(c1C)C(=O)NCCN(C)C 240690a_100000210585_100000183679 [0,2,0,0,0,0|2,0,0]=4 10585 B16R1.11264 Cc1cccc(c1C)C(=O)NCCN(C)C 527a_100000210585_100000183679 [0,2,0,0,0,0|2,0,0]=4 10586 B16R1.11264 Cc1cccc(c1C)C(=O)NNCC(C)C 22a_100000696102_100000183679 [0,2,0,0,0,0|2,0,0]=4 10587 B16R1.11264 Cc1cccc(c1C)C(C)OCCC(C)C 34a_100000210254_100012183177 [0,2,0,0,0,0|1,0,1]=4 10588 B16R1.11264 Cc1cccc(c1C)C(C)OCCC(C)C 7a_100000210254_100012183177 [0,2,0,0,0,0|1,0,1]=4 10589 B16R1.11264 Cc1cccc(c1Cl)C(=O)CCCC(C)C 1458a_100000693142_100011214892 [0,2,0,0,0,0|1,0,0]=3 10590 B16R1.11264 Cc1cccc(c1Cl)C(=O)CCCC(C)O 1458a_100000693142_200000718107 [0,2,0,0,0,0|2,0,0]=4 10591 B16R1.11264 Cc1cccc(c1Cl)C(=O)CCCN(C)C 1458a_100000693142_100000695564 [0,2,0,0,0,0|2,0,0]=4 10592 B16R1.11264 Cc1cccc(c1Cl)C(=O)CCOC(C)C 1458a_100000693142_100000211751 [0,2,0,0,0,0|2,0,0]=4 10593 B16R1.11264 Cc1cccc(c1Cl)C(=O)CCSC(C)C 1458a_100000693142_100000730970 [0,2,0,0,0,0|2,0,0]=4 10594 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)C 11a_100000210545_100000693142 [0,2,0,0,0,0|1,0,0]=3 10595 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)C 1626a_100000210545_100000693142 [0,2,0,0,0,0|1,0,0]=3 10596 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)C 240690a_100000210545_100000693142 [0,2,0,0,0,0|1,0,0]=3 10597 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)C 527a_100000210545_100000693142 [0,2,0,0,0,0|1,0,0]=3 10598 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)O 240690a_200000755665_100000693142 [0,2,0,0,0,0|2,0,0]=4 10599 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCC(C)O 527a_200000755665_100000693142 [0,2,0,0,0,0|2,0,0]=4 10600 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCN(C)C 240690a_100000210585_100000693142 [0,2,0,0,0,0|2,0,0]=4 10601 B16R1.11264 Cc1cccc(c1Cl)C(=O)NCCN(C)C 527a_100000210585_100000693142 [0,2,0,0,0,0|2,0,0]=4 10602 B16R1.11264 Cc1cccc(c1Cl)C(=O)NNCC(C)C 22a_100000696102_100000693142 [0,2,0,0,0,0|2,0,0]=4 10603 B16R1.11264 Cc1cccc(c1F)C(=O)CCCC(C)C 1458a_100000766181_100011214892 [0,2,0,0,0,0|1,0,0]=3 10604 B16R1.11264 Cc1cccc(c1F)C(=O)CCCC(C)O 1458a_100000766181_200000718107 [0,2,0,0,0,0|2,0,0]=4 10605 B16R1.11264 Cc1cccc(c1F)C(=O)CCCN(C)C 1458a_100000766181_100000695564 [0,2,0,0,0,0|2,0,0]=4 10606 B16R1.11264 Cc1cccc(c1F)C(=O)CCOC(C)C 1458a_100000766181_100000211751 [0,2,0,0,0,0|2,0,0]=4 10607 B16R1.11264 Cc1cccc(c1F)C(=O)CCSC(C)C 1458a_100000766181_100000730970 [0,2,0,0,0,0|2,0,0]=4 10608 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)C 11a_100000210545_100000766181 [0,2,0,0,0,0|1,0,0]=3 10609 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)C 1626a_100000210545_100000766181 [0,2,0,0,0,0|1,0,0]=3 10610 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)C 240690a_100000210545_100000766181 [0,2,0,0,0,0|1,0,0]=3 10611 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)C 527a_100000210545_100000766181 [0,2,0,0,0,0|1,0,0]=3 10612 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)O 240690a_200000755665_100000766181 [0,2,0,0,0,0|2,0,0]=4 10613 B16R1.11264 Cc1cccc(c1F)C(=O)NCCC(C)O 527a_200000755665_100000766181 [0,2,0,0,0,0|2,0,0]=4 10614 B16R1.11264 Cc1cccc(c1F)C(=O)NCCN(C)C 240690a_100000210585_100000766181 [0,2,0,0,0,0|2,0,0]=4 10615 B16R1.11264 Cc1cccc(c1F)C(=O)NCCN(C)C 527a_100000210585_100000766181 [0,2,0,0,0,0|2,0,0]=4 10616 B16R1.11264 Cc1cccc(c1F)C(=O)NNCC(C)C 22a_100000696102_100000766181 [0,2,0,0,0,0|2,0,0]=4 10617 B16R1.11264 Cc1cccc(c1I)C(=O)CCCC(C)C 1458a_100000739377_100011214892 [0,2,0,0,0,0|1,0,0]=3 10618 B16R1.11264 Cc1cccc(c1I)C(=O)CCCC(C)O 1458a_100000739377_200000718107 [0,2,0,0,0,0|2,0,0]=4 10619 B16R1.11264 Cc1cccc(c1I)C(=O)CCCN(C)C 1458a_100000739377_100000695564 [0,2,0,0,0,0|2,0,0]=4 10620 B16R1.11264 Cc1cccc(c1I)C(=O)CCOC(C)C 1458a_100000739377_100000211751 [0,2,0,0,0,0|2,0,0]=4 10621 B16R1.11264 Cc1cccc(c1I)C(=O)CCSC(C)C 1458a_100000739377_100000730970 [0,2,0,0,0,0|2,0,0]=4 10622 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)C 11a_100000210545_100000739377 [0,2,0,0,0,0|1,0,0]=3 10623 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)C 1626a_100000210545_100000739377 [0,2,0,0,0,0|1,0,0]=3 10624 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)C 240690a_100000210545_100000739377 [0,2,0,0,0,0|1,0,0]=3 10625 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)C 527a_100000210545_100000739377 [0,2,0,0,0,0|1,0,0]=3 10626 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)O 240690a_200000755665_100000739377 [0,2,0,0,0,0|2,0,0]=4 10627 B16R1.11264 Cc1cccc(c1I)C(=O)NCCC(C)O 527a_200000755665_100000739377 [0,2,0,0,0,0|2,0,0]=4 10628 B16R1.11264 Cc1cccc(c1I)C(=O)NCCN(C)C 240690a_100000210585_100000739377 [0,2,0,0,0,0|2,0,0]=4 10629 B16R1.11264 Cc1cccc(c1I)C(=O)NCCN(C)C 527a_100000210585_100000739377 [0,2,0,0,0,0|2,0,0]=4 10630 B16R1.11264 Cc1cccc(c1I)C(=O)NNCC(C)C 22a_100000696102_100000739377 [0,2,0,0,0,0|2,0,0]=4 10631 B16R1.11264 Cc1cccc(c1O)C(=O)CCCC(C)C 1458a_100000183896_100011214892 [0,2,0,0,0,0|1,0,0]=3 10632 B16R1.11264 Cc1cccc(c1O)C(=O)CCCC(C)O 1458a_100000183896_200000718107 [0,2,0,0,0,0|2,0,0]=4 10633 B16R1.11264 Cc1cccc(c1O)C(=O)CCCN(C)C 1458a_100000183896_100000695564 [0,2,0,0,0,0|2,0,0]=4 10634 B16R1.11264 Cc1cccc(c1O)C(=O)CCOC(C)C 1458a_100000183896_100000211751 [0,2,0,0,0,0|2,0,0]=4 10635 B16R1.11264 Cc1cccc(c1O)C(=O)CCSC(C)C 1458a_100000183896_100000730970 [0,2,0,0,0,0|2,0,0]=4 10636 B16R1.11264 Cc1cccc(c1O)C(=O)NCCC(C)C 240690a_100000210545_100000183896 [0,2,0,0,0,0|1,0,0]=3 10637 B16R1.11264 Cc1cccc(c1O)C(=O)NCCC(C)C 527a_100000210545_100000183896 [0,2,0,0,0,0|1,0,0]=3 10638 B16R1.11264 Cc1cccc(c1O)C(=O)NCCC(C)O 240690a_200000755665_100000183896 [0,2,0,0,0,0|2,0,0]=4 10639 B16R1.11264 Cc1cccc(c1O)C(=O)NCCC(C)O 527a_200000755665_100000183896 [0,2,0,0,0,0|2,0,0]=4 10640 B16R1.11264 Cc1cccc(c1O)C(=O)NCCN(C)C 240690a_100000210585_100000183896 [0,2,0,0,0,0|2,0,0]=4 10641 B16R1.11264 Cc1cccc(c1O)C(=O)NCCN(C)C 527a_100000210585_100000183896 [0,2,0,0,0,0|2,0,0]=4 10642 B16R1.11264 Cc1cccc(c1O)C(=O)NNCC(C)C 22a_100000696102_100000183896 [0,2,0,0,0,0|2,0,0]=4 10643 B16R1.18704 C#Cc1ccccc1C(=O)CCCC(C)C 1458a_100011243808_100011214892 [0,2,0,0,0,0|1,0,0]=3 10644 B16R1.18704 C#Cc1ccccc1C(=O)CCCC(C)O 1458a_100011243808_200000718107 [0,2,0,0,0,0|2,0,0]=4 10645 B16R1.18704 C#Cc1ccccc1C(=O)CCCN(C)C 1458a_100011243808_100000695564 [0,2,0,0,0,0|2,0,0]=4 10646 B16R1.18704 C#Cc1ccccc1C(=O)CCOC(C)C 1458a_100011243808_100000211751 [0,2,0,0,0,0|2,0,0]=4 10647 B16R1.18704 C#Cc1ccccc1C(=O)CCSC(C)C 1458a_100011243808_100000730970 [0,2,0,0,0,0|2,0,0]=4 10648 B16R1.18704 C#Cc1ccccc1C(=O)NCCC(C)C 527a_100000210545_100011243808 [0,2,0,0,0,0|1,0,0]=3 10649 B16R1.18704 C#Cc1ccccc1C(=O)NCCC(C)O 527a_200000755665_100011243808 [0,2,0,0,0,0|2,0,0]=4 10650 B16R1.18704 C#Cc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100011243808 [0,2,0,0,0,0|2,0,0]=4 10651 B16R1.18704 C#Cc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100011243808 [0,2,0,0,0,0|2,0,0]=4 10652 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(C)C 1458a_100011830265_100011214892 [0,2,0,0,0,0|1,0,0]=3 10653 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(C)O 1458a_100011830265_200000718107 [0,2,0,0,0,0|2,0,0]=4 10654 B16R1.18704 C=Cc1ccccc1C(=O)CCCN(C)C 1458a_100011830265_100000695564 [0,2,0,0,0,0|2,0,0]=4 10655 B16R1.18704 C=Cc1ccccc1C(=O)CCOC(C)C 1458a_100011830265_100000211751 [0,2,0,0,0,0|2,0,0]=4 10656 B16R1.18704 C=Cc1ccccc1C(=O)CCSC(C)C 1458a_100011830265_100000730970 [0,2,0,0,0,0|2,0,0]=4 10657 B16R1.18704 C=Cc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100011830265 [0,2,0,0,0,0|1,0,0]=3 10658 B16R1.18704 C=Cc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100011830265 [0,2,0,0,0,0|2,0,0]=4 10659 B16R1.18704 CC(C)CCCC(=O)c1ccccc1C#N 1458a_100000742908_100011214892 [0,2,0,0,0,0|1,0,0]=3 10660 B16R1.18704 CC(C)CCCC(=O)c1ccccc1CO 1458a_100011301526_100011214892 [0,2,0,0,0,0|1,0,0]=3 10661 B16R1.18704 CC(C)CCCC(=O)c1ccccc1I=O 1458a_100000032414_100011214892 [0,2,0,0,0,0|1,0,0]=3 10662 B16R1.18704 CC(C)CCNC(=O)c1ccccc1C#N 11a_100000210545_100000742908 [0,2,0,0,0,0|1,0,0]=3 10663 B16R1.18704 CC(C)CCNC(=O)c1ccccc1C#N 1626a_100000210545_100000742908 [0,2,0,0,0,0|1,0,0]=3 10664 B16R1.18704 CC(C)CCNC(=O)c1ccccc1C#N 527a_100000210545_100000742908 [0,2,0,0,0,0|1,0,0]=3 10665 B16R1.18704 CC(C)CCNC(=O)c1ccccc1I=O 1626a_100000210545_100000032414 [0,2,0,0,0,0|1,0,0]=3 10666 B16R1.18704 CC(C)CCNC(=O)c1ccccc1I=O 240690a_100000210545_100000032414 [0,2,0,0,0,0|1,0,0]=3 10667 B16R1.18704 CC(C)CCNC(=O)c1ccccc1I=O 527a_100000210545_100000032414 [0,2,0,0,0,0|1,0,0]=3 10668 B16R1.18704 CC(C)CCOC(=O)c1ccccc1O[13CH3] 7a_100000030269_200025704644 [0,2,0,0,0,0|0,0,0]=2 10669 B16R1.18704 CC(C)CNNC(=O)c1ccccc1C#N 22a_100000696102_100000742908 [0,2,0,0,0,0|2,0,0]=4 10670 B16R1.18704 CC(C)CNNC(=O)c1ccccc1I=O 22a_100000696102_100000032414 [0,2,0,0,0,0|2,0,0]=4 10671 B16R1.18704 CC(C)OCCC(=O)c1ccccc1C#N 1458a_100000742908_100000211751 [0,2,0,0,0,0|2,0,0]=4 10672 B16R1.18704 CC(C)OCCC(=O)c1ccccc1CO 1458a_100011301526_100000211751 [0,2,0,0,0,0|2,0,0]=4 10673 B16R1.18704 CC(C)OCCC(=O)c1ccccc1I=O 1458a_100000032414_100000211751 [0,2,0,0,0,0|2,0,0]=4 10674 B16R1.18704 CC(C)SCCC(=O)c1ccccc1C#N 1458a_100000742908_100000730970 [0,2,0,0,0,0|2,0,0]=4 10675 B16R1.18704 CC(C)SCCC(=O)c1ccccc1CO 1458a_100011301526_100000730970 [0,2,0,0,0,0|2,0,0]=4 10676 B16R1.18704 CC(C)SCCC(=O)c1ccccc1I=O 1458a_100000032414_100000730970 [0,2,0,0,0,0|2,0,0]=4 10677 B16R1.18704 CC(O)CCCC(=O)c1ccccc1C#N 1458a_100000742908_200000718107 [0,2,0,0,0,0|2,0,0]=4 10678 B16R1.18704 CC(O)CCCC(=O)c1ccccc1CO 1458a_100011301526_200000718107 [0,2,0,0,0,0|2,0,0]=4 10679 B16R1.18704 CC(O)CCCC(=O)c1ccccc1I=O 1458a_100000032414_200000718107 [0,2,0,0,0,0|2,0,0]=4 10680 B16R1.18704 CC(O)CCNC(=O)c1ccccc1C#N 527a_200000755665_100000742908 [0,2,0,0,0,0|2,0,0]=4 10681 B16R1.18704 CC(O)CCNC(=O)c1ccccc1I=O 240690a_200000755665_100000032414 [0,2,0,0,0,0|2,0,0]=4 10682 B16R1.18704 CC(O)CCNC(=O)c1ccccc1I=O 527a_200000755665_100000032414 [0,2,0,0,0,0|2,0,0]=4 10683 B16R1.18704 CCc1ccccc1C(=O)CCCC(C)C 1458a_100000689120_100011214892 [0,2,0,0,0,0|1,0,0]=3 10684 B16R1.18704 CCc1ccccc1C(=O)CCCC(C)O 1458a_100000689120_200000718107 [0,2,0,0,0,0|2,0,0]=4 10685 B16R1.18704 CCc1ccccc1C(=O)CCCN(C)C 1458a_100000689120_100000695564 [0,2,0,0,0,0|2,0,0]=4 10686 B16R1.18704 CCc1ccccc1C(=O)CCOC(C)C 1458a_100000689120_100000211751 [0,2,0,0,0,0|2,0,0]=4 10687 B16R1.18704 CCc1ccccc1C(=O)CCSC(C)C 1458a_100000689120_100000730970 [0,2,0,0,0,0|2,0,0]=4 10688 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)C 11a_100000210545_100000689120 [0,2,0,0,0,0|1,0,0]=3 10689 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100000689120 [0,2,0,0,0,0|1,0,0]=3 10690 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)C 240690a_100000210545_100000689120 [0,2,0,0,0,0|1,0,0]=3 10691 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)C 527a_100000210545_100000689120 [0,2,0,0,0,0|1,0,0]=3 10692 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)O 240690a_200000755665_100000689120 [0,2,0,0,0,0|2,0,0]=4 10693 B16R1.18704 CCc1ccccc1C(=O)NCCC(C)O 527a_200000755665_100000689120 [0,2,0,0,0,0|2,0,0]=4 10694 B16R1.18704 CCc1ccccc1C(=O)NCCN(C)C 240690a_100000210585_100000689120 [0,2,0,0,0,0|2,0,0]=4 10695 B16R1.18704 CCc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100000689120 [0,2,0,0,0,0|2,0,0]=4 10696 B16R1.18704 CCc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100000689120 [0,2,0,0,0,0|2,0,0]=4 10697 B16R1.18704 CN(C)CCCC(=O)c1ccccc1C#N 1458a_100000742908_100000695564 [0,2,0,0,0,0|2,0,0]=4 10698 B16R1.18704 CN(C)CCCC(=O)c1ccccc1CO 1458a_100011301526_100000695564 [0,2,0,0,0,0|2,0,0]=4 10699 B16R1.18704 CN(C)CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000695564 [0,2,0,0,0,0|2,0,0]=4 10700 B16R1.18704 CN(C)CCNC(=O)c1ccccc1C#N 527a_100000210585_100000742908 [0,2,0,0,0,0|2,0,0]=4 10701 B16R1.18704 CN(C)CCNC(=O)c1ccccc1I=O 240690a_100000210585_100000032414 [0,2,0,0,0,0|2,0,0]=4 10702 B16R1.18704 CN(C)CCNC(=O)c1ccccc1I=O 527a_100000210585_100000032414 [0,2,0,0,0,0|2,0,0]=4 10703 B16R1.18704 COc1ccccc1C(=O)CCCC(C)C 1458a_100000185835_100011214892 [0,2,0,0,0,0|1,0,0]=3 10704 B16R1.18704 COc1ccccc1C(=O)CCCC(C)O 1458a_100000185835_200000718107 [0,2,0,0,0,0|2,0,0]=4 10705 B16R1.18704 COc1ccccc1C(=O)CCCN(C)C 1458a_100000185835_100000695564 [0,2,0,0,0,0|2,0,0]=4 10706 B16R1.18704 COc1ccccc1C(=O)CCOC(C)C 1458a_100000185835_100000211751 [0,2,0,0,0,0|2,0,0]=4 10707 B16R1.18704 COc1ccccc1C(=O)CCSC(C)C 1458a_100000185835_100000730970 [0,2,0,0,0,0|2,0,0]=4 10708 B16R1.18704 COc1ccccc1C(=O)CNCC(C)C 34a_100000210953_100000195505 [0,2,0,0,0,0|2,0,0]=4 10709 B16R1.18704 COc1ccccc1C(=O)COCC(C)C 34a_100000210257_100000195505 [0,2,0,0,0,0|2,0,0]=4 10710 B16R1.18704 COc1ccccc1C(=O)CSCC(C)C 62a_100000195505_100000210760 [0,2,0,0,0,0|2,0,0]=4 10711 B16R1.18704 COc1ccccc1C(=O)NCCC(C)C 11a_100000210545_100000185835 [0,2,0,0,0,0|1,0,0]=3 10712 B16R1.18704 COc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100000185835 [0,2,0,0,0,0|1,0,0]=3 10713 B16R1.18704 COc1ccccc1C(=O)NCCC(C)C 240690a_100000210545_100000185835 [0,2,0,0,0,0|1,0,0]=3 10714 B16R1.18704 COc1ccccc1C(=O)NCCC(C)C 527a_100000210545_100000185835 [0,2,0,0,0,0|1,0,0]=3 10715 B16R1.18704 COc1ccccc1C(=O)NCCC(C)O 240690a_200000755665_100000185835 [0,2,0,0,0,0|2,0,0]=4 10716 B16R1.18704 COc1ccccc1C(=O)NCCC(C)O 527a_200000755665_100000185835 [0,2,0,0,0,0|2,0,0]=4 10717 B16R1.18704 COc1ccccc1C(=O)NCCN(C)C 240690a_100000210585_100000185835 [0,2,0,0,0,0|2,0,0]=4 10718 B16R1.18704 COc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100000185835 [0,2,0,0,0,0|2,0,0]=4 10719 B16R1.18704 COc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100000185835 [0,2,0,0,0,0|2,0,0]=4 10720 B16R1.18704 COc1ccccc1C(=O)OCCC(C)C 7a_100000030269_200000210301 [0,2,0,0,0,0|0,0,0]=2 10721 B16R1.18704 COc1ccccc1C(C)OCCC(C)C 7a_100000742714_100000210626 [0,2,0,0,0,0|1,0,1]=4 10722 B16R1.18704 CSc1ccccc1C(=O)CCCC(C)C 1458a_100000183967_100011214892 [0,2,0,0,0,0|1,0,0]=3 10723 B16R1.18704 CSc1ccccc1C(=O)CCCC(C)O 1458a_100000183967_200000718107 [0,2,0,0,0,0|2,0,0]=4 10724 B16R1.18704 CSc1ccccc1C(=O)CCCN(C)C 1458a_100000183967_100000695564 [0,2,0,0,0,0|2,0,0]=4 10725 B16R1.18704 CSc1ccccc1C(=O)CCOC(C)C 1458a_100000183967_100000211751 [0,2,0,0,0,0|2,0,0]=4 10726 B16R1.18704 CSc1ccccc1C(=O)CCSC(C)C 1458a_100000183967_100000730970 [0,2,0,0,0,0|2,0,0]=4 10727 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)C 11a_100000210545_100000183967 [0,2,0,0,0,0|1,0,0]=3 10728 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100000183967 [0,2,0,0,0,0|1,0,0]=3 10729 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)C 240690a_100000210545_100000183967 [0,2,0,0,0,0|1,0,0]=3 10730 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)C 527a_100000210545_100000183967 [0,2,0,0,0,0|1,0,0]=3 10731 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)O 240690a_200000755665_100000183967 [0,2,0,0,0,0|2,0,0]=4 10732 B16R1.18704 CSc1ccccc1C(=O)NCCC(C)O 527a_200000755665_100000183967 [0,2,0,0,0,0|2,0,0]=4 10733 B16R1.18704 CSc1ccccc1C(=O)NCCN(C)C 240690a_100000210585_100000183967 [0,2,0,0,0,0|2,0,0]=4 10734 B16R1.18704 CSc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100000183967 [0,2,0,0,0,0|2,0,0]=4 10735 B16R1.18704 CSc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100000183967 [0,2,0,0,0,0|2,0,0]=4 10736 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100011214892 [0,2,0,0,0,0|1,0,0]=3 10737 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100011214892 [0,2,0,0,0,0|1,0,0]=3 10738 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100011214892 [0,2,0,0,0,0|1,0,0]=3 10739 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100011214892 [0,2,0,0,0,0|1,0,0]=3 10740 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100011214892 [0,2,0,0,0,0|1,0,0]=3 10741 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100011214892 [0,2,0,0,0,0|1,0,0]=3 10742 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100011214892 [0,2,0,0,0,0|1,0,0]=3 10743 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1F)F 1458a_100000210804_100011214892 [0,2,0,0,0,0|1,0,0]=3 10744 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1F)O 1458a_100000763259_100011214892 [0,2,0,0,0,0|1,0,0]=3 10745 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100011214892 [0,2,0,0,0,0|1,0,0]=3 10746 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100011214892 [0,2,0,0,0,0|1,0,0]=3 10747 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1I)F 1458a_100000023732_100011214892 [0,2,0,0,0,0|1,0,0]=3 10748 B16R1.44936 CC(C)CCCC(=O)c1c(cccc1O)O 1458a_100000755285_100011214892 [0,2,0,0,0,0|1,0,0]=3 10749 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Br 11a_100000210545_100000690891 [0,2,0,0,0,0|1,0,0]=3 10750 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Br 1626a_100000210545_100000690891 [0,2,0,0,0,0|1,0,0]=3 10751 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Br 240690a_100000210545_100000690891 [0,2,0,0,0,0|1,0,0]=3 10752 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Br 527a_100000210545_100000690891 [0,2,0,0,0,0|1,0,0]=3 10753 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Cl 11a_100000210545_100011253703 [0,2,0,0,0,0|1,0,0]=3 10754 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Cl 1626a_100000210545_100011253703 [0,2,0,0,0,0|1,0,0]=3 10755 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Cl 240690a_100000210545_100011253703 [0,2,0,0,0,0|1,0,0]=3 10756 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)Cl 527a_100000210545_100011253703 [0,2,0,0,0,0|1,0,0]=3 10757 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)F 11a_100000210545_100000752694 [0,2,0,0,0,0|1,0,0]=3 10758 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)F 1626a_100000210545_100000752694 [0,2,0,0,0,0|1,0,0]=3 10759 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)F 240690a_100000210545_100000752694 [0,2,0,0,0,0|1,0,0]=3 10760 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)F 527a_100000210545_100000752694 [0,2,0,0,0,0|1,0,0]=3 10761 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)O 240690a_100000210545_100011935254 [0,2,0,0,0,0|1,0,0]=3 10762 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Br)O 527a_100000210545_100011935254 [0,2,0,0,0,0|1,0,0]=3 10763 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)Cl 11a_100000210545_100000210656 [0,2,0,0,0,0|1,0,0]=3 10764 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)Cl 1626a_100000210545_100000210656 [0,2,0,0,0,0|1,0,0]=3 10765 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)Cl 240690a_100000210545_100000210656 [0,2,0,0,0,0|1,0,0]=3 10766 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)F 11a_100000210545_100000210369 [0,2,0,0,0,0|1,0,0]=3 10767 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)F 1626a_100000210545_100000210369 [0,2,0,0,0,0|1,0,0]=3 10768 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)F 240690a_100000210545_100000210369 [0,2,0,0,0,0|1,0,0]=3 10769 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)F 527a_100000210545_100000210369 [0,2,0,0,0,0|1,0,0]=3 10770 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)O 240690a_100000210545_100000745519 [0,2,0,0,0,0|1,0,0]=3 10771 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1Cl)O 527a_100000210545_100000745519 [0,2,0,0,0,0|1,0,0]=3 10772 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1F)F 11a_100000210545_100000210804 [0,2,0,0,0,0|1,0,0]=3 10773 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1F)F 1626a_100000210545_100000210804 [0,2,0,0,0,0|1,0,0]=3 10774 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1F)F 240690a_100000210545_100000210804 [0,2,0,0,0,0|1,0,0]=3 10775 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1F)F 527a_100000210545_100000210804 [0,2,0,0,0,0|1,0,0]=3 10776 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1F)O 527a_100000210545_100000763259 [0,2,0,0,0,0|1,0,0]=3 10777 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Br 11a_100000210545_100010232521 [0,2,0,0,0,0|1,0,0]=3 10778 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Br 1626a_100000210545_100010232521 [0,2,0,0,0,0|1,0,0]=3 10779 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Br 240690a_100000210545_100010232521 [0,2,0,0,0,0|1,0,0]=3 10780 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Br 527a_100000210545_100010232521 [0,2,0,0,0,0|1,0,0]=3 10781 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Cl 11a_100000210545_100000702859 [0,2,0,0,0,0|1,0,0]=3 10782 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Cl 1626a_100000210545_100000702859 [0,2,0,0,0,0|1,0,0]=3 10783 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Cl 240690a_100000210545_100000702859 [0,2,0,0,0,0|1,0,0]=3 10784 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)Cl 527a_100000210545_100000702859 [0,2,0,0,0,0|1,0,0]=3 10785 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)F 11a_100000210545_100000023732 [0,2,0,0,0,0|1,0,0]=3 10786 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)F 1626a_100000210545_100000023732 [0,2,0,0,0,0|1,0,0]=3 10787 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1I)F 240690a_100000210545_100000023732 [0,2,0,0,0,0|1,0,0]=3 10788 B16R1.44936 CC(C)CCNC(=O)c1c(cccc1O)O 527a_100000210545_100000755285 [0,2,0,0,0,0|1,0,0]=3 10789 B16R1.44936 CC(C)CCOC(C)c1c(cccc1Br)F 34a_100013085324_100000210312 [0,2,0,0,0,0|1,0,1]=4 10790 B16R1.44936 CC(C)CCOC(C)c1c(cccc1Br)F 7a_100013085324_100000210626 [0,2,0,0,0,0|1,0,1]=4 10791 B16R1.44936 CC(C)CCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210312 [0,2,0,0,0,0|1,0,1]=4 10792 B16R1.44936 CC(C)CCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210626 [0,2,0,0,0,0|1,0,1]=4 10793 B16R1.44936 CC(C)CCOC(C)c1c(cccc1F)F 34a_100000742607_100000210312 [0,2,0,0,0,0|1,0,1]=4 10794 B16R1.44936 CC(C)CCOC(C)c1c(cccc1F)F 7a_100000742607_100000210626 [0,2,0,0,0,0|1,0,1]=4 10795 B16R1.44936 CC(C)CCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210312 [0,2,0,0,0,0|1,0,1]=4 10796 B16R1.44936 CC(C)CCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210626 [0,2,0,0,0,0|1,0,1]=4 10797 B16R1.44936 CC(C)CNCC(=O)c1c(cccc1Cl)Cl 2230a_100000210953_100012340516 [0,2,0,0,0,0|2,0,0]=4 10798 B16R1.44936 CC(C)CNCC(=O)c1c(cccc1Cl)Cl 34a_100000210953_100012340516 [0,2,0,0,0,0|2,0,0]=4 10799 B16R1.44936 CC(C)CNCC(=O)c1c(cccc1Cl)F 2230a_100000210953_100011219195 [0,2,0,0,0,0|2,0,0]=4 10800 B16R1.44936 CC(C)CNCC(=O)c1c(cccc1Cl)F 34a_100000210953_100011219195 [0,2,0,0,0,0|2,0,0]=4 10801 B16R1.44936 CC(C)CNCC(=O)c1c(cccc1F)F 34a_100000210953_100000199083 [0,2,0,0,0,0|2,0,0]=4 10802 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Br)Br 22a_100000696102_100000690891 [0,2,0,0,0,0|2,0,0]=4 10803 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Br)Cl 22a_100000696102_100011253703 [0,2,0,0,0,0|2,0,0]=4 10804 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Br)F 22a_100000696102_100000752694 [0,2,0,0,0,0|2,0,0]=4 10805 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Br)O 22a_100000696102_100011935254 [0,2,0,0,0,0|2,0,0]=4 10806 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Cl)Cl 22a_100000696102_100000210656 [0,2,0,0,0,0|2,0,0]=4 10807 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Cl)F 22a_100000696102_100000210369 [0,2,0,0,0,0|2,0,0]=4 10808 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1Cl)O 22a_100000696102_100000745519 [0,2,0,0,0,0|2,0,0]=4 10809 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1F)F 22a_100000696102_100000210804 [0,2,0,0,0,0|2,0,0]=4 10810 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1F)O 22a_100000696102_100000763259 [0,2,0,0,0,0|2,0,0]=4 10811 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1I)Br 22a_100000696102_100010232521 [0,2,0,0,0,0|2,0,0]=4 10812 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1I)Cl 22a_100000696102_100000702859 [0,2,0,0,0,0|2,0,0]=4 10813 B16R1.44936 CC(C)CNNC(=O)c1c(cccc1I)F 22a_100000696102_100000023732 [0,2,0,0,0,0|2,0,0]=4 10814 B16R1.44936 CC(C)COCC(=O)c1c(cccc1Cl)Cl 34a_100000210257_100012340516 [0,2,0,0,0,0|2,0,0]=4 10815 B16R1.44936 CC(C)COCC(=O)c1c(cccc1Cl)F 34a_100000210257_100011219195 [0,2,0,0,0,0|2,0,0]=4 10816 B16R1.44936 CC(C)COCC(=O)c1c(cccc1F)F 34a_100000210257_100000199083 [0,2,0,0,0,0|2,0,0]=4 10817 B16R1.44936 CC(C)CSCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_100000210760 [0,2,0,0,0,0|2,0,0]=4 10818 B16R1.44936 CC(C)CSCC(=O)c1c(cccc1Cl)F 62a_100000210624_100011219195 [0,2,0,0,0,0|2,0,0]=4 10819 B16R1.44936 CC(C)CSCC(=O)c1c(cccc1Cl)F 62a_100011219195_100000210760 [0,2,0,0,0,0|2,0,0]=4 10820 B16R1.44936 CC(C)CSCC(=O)c1c(cccc1F)F 62a_100000199083_100000210760 [0,2,0,0,0,0|2,0,0]=4 10821 B16R1.44936 CC(C)CSCC(=O)c1c(cccc1F)F 62a_100000210624_100000199083 [0,2,0,0,0,0|2,0,0]=4 10822 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000211751 [0,2,0,0,0,0|2,0,0]=4 10823 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000211751 [0,2,0,0,0,0|2,0,0]=4 10824 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000211751 [0,2,0,0,0,0|2,0,0]=4 10825 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000211751 [0,2,0,0,0,0|2,0,0]=4 10826 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000211751 [0,2,0,0,0,0|2,0,0]=4 10827 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000211751 [0,2,0,0,0,0|2,0,0]=4 10828 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000211751 [0,2,0,0,0,0|2,0,0]=4 10829 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000211751 [0,2,0,0,0,0|2,0,0]=4 10830 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000211751 [0,2,0,0,0,0|2,0,0]=4 10831 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000211751 [0,2,0,0,0,0|2,0,0]=4 10832 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000211751 [0,2,0,0,0,0|2,0,0]=4 10833 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000211751 [0,2,0,0,0,0|2,0,0]=4 10834 B16R1.44936 CC(C)OCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000211751 [0,2,0,0,0,0|2,0,0]=4 10835 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000730970 [0,2,0,0,0,0|2,0,0]=4 10836 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000730970 [0,2,0,0,0,0|2,0,0]=4 10837 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000730970 [0,2,0,0,0,0|2,0,0]=4 10838 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000730970 [0,2,0,0,0,0|2,0,0]=4 10839 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000730970 [0,2,0,0,0,0|2,0,0]=4 10840 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000730970 [0,2,0,0,0,0|2,0,0]=4 10841 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000730970 [0,2,0,0,0,0|2,0,0]=4 10842 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000730970 [0,2,0,0,0,0|2,0,0]=4 10843 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000730970 [0,2,0,0,0,0|2,0,0]=4 10844 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000730970 [0,2,0,0,0,0|2,0,0]=4 10845 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000730970 [0,2,0,0,0,0|2,0,0]=4 10846 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000730970 [0,2,0,0,0,0|2,0,0]=4 10847 B16R1.44936 CC(C)SCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000730970 [0,2,0,0,0,0|2,0,0]=4 10848 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000718107 [0,2,0,0,0,0|2,0,0]=4 10849 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000718107 [0,2,0,0,0,0|2,0,0]=4 10850 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Br)F 1458a_100000752694_200000718107 [0,2,0,0,0,0|2,0,0]=4 10851 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Br)O 1458a_100011935254_200000718107 [0,2,0,0,0,0|2,0,0]=4 10852 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000718107 [0,2,0,0,0,0|2,0,0]=4 10853 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000718107 [0,2,0,0,0,0|2,0,0]=4 10854 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000718107 [0,2,0,0,0,0|2,0,0]=4 10855 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1F)F 1458a_100000210804_200000718107 [0,2,0,0,0,0|2,0,0]=4 10856 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1F)O 1458a_100000763259_200000718107 [0,2,0,0,0,0|2,0,0]=4 10857 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1I)Br 1458a_100010232521_200000718107 [0,2,0,0,0,0|2,0,0]=4 10858 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000718107 [0,2,0,0,0,0|2,0,0]=4 10859 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1I)F 1458a_100000023732_200000718107 [0,2,0,0,0,0|2,0,0]=4 10860 B16R1.44936 CC(O)CCCC(=O)c1c(cccc1O)O 1458a_100000755285_200000718107 [0,2,0,0,0,0|2,0,0]=4 10861 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)Br 240690a_200000755665_100000690891 [0,2,0,0,0,0|2,0,0]=4 10862 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)Br 527a_200000755665_100000690891 [0,2,0,0,0,0|2,0,0]=4 10863 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)Cl 240690a_200000755665_100011253703 [0,2,0,0,0,0|2,0,0]=4 10864 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)Cl 527a_200000755665_100011253703 [0,2,0,0,0,0|2,0,0]=4 10865 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)F 240690a_200000755665_100000752694 [0,2,0,0,0,0|2,0,0]=4 10866 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)F 527a_200000755665_100000752694 [0,2,0,0,0,0|2,0,0]=4 10867 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)O 240690a_200000755665_100011935254 [0,2,0,0,0,0|2,0,0]=4 10868 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Br)O 527a_200000755665_100011935254 [0,2,0,0,0,0|2,0,0]=4 10869 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Cl)Cl 240690a_200000755665_100000210656 [0,2,0,0,0,0|2,0,0]=4 10870 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Cl)F 240690a_200000755665_100000210369 [0,2,0,0,0,0|2,0,0]=4 10871 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Cl)F 527a_200000755665_100000210369 [0,2,0,0,0,0|2,0,0]=4 10872 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Cl)O 240690a_200000755665_100000745519 [0,2,0,0,0,0|2,0,0]=4 10873 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1Cl)O 527a_200000755665_100000745519 [0,2,0,0,0,0|2,0,0]=4 10874 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1F)F 240690a_200000755665_100000210804 [0,2,0,0,0,0|2,0,0]=4 10875 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1F)F 527a_200000755665_100000210804 [0,2,0,0,0,0|2,0,0]=4 10876 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1F)O 527a_200000755665_100000763259 [0,2,0,0,0,0|2,0,0]=4 10877 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1I)Br 240690a_200000755665_100010232521 [0,2,0,0,0,0|2,0,0]=4 10878 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1I)Br 527a_200000755665_100010232521 [0,2,0,0,0,0|2,0,0]=4 10879 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1I)Cl 240690a_200000755665_100000702859 [0,2,0,0,0,0|2,0,0]=4 10880 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1I)Cl 527a_200000755665_100000702859 [0,2,0,0,0,0|2,0,0]=4 10881 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1I)F 240690a_200000755665_100000023732 [0,2,0,0,0,0|2,0,0]=4 10882 B16R1.44936 CC(O)CCNC(=O)c1c(cccc1O)O 527a_200000755665_100000755285 [0,2,0,0,0,0|2,0,0]=4 10883 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000695564 [0,2,0,0,0,0|2,0,0]=4 10884 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000695564 [0,2,0,0,0,0|2,0,0]=4 10885 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000695564 [0,2,0,0,0,0|2,0,0]=4 10886 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000695564 [0,2,0,0,0,0|2,0,0]=4 10887 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000695564 [0,2,0,0,0,0|2,0,0]=4 10888 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000695564 [0,2,0,0,0,0|2,0,0]=4 10889 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000695564 [0,2,0,0,0,0|2,0,0]=4 10890 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000695564 [0,2,0,0,0,0|2,0,0]=4 10891 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000695564 [0,2,0,0,0,0|2,0,0]=4 10892 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000695564 [0,2,0,0,0,0|2,0,0]=4 10893 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000695564 [0,2,0,0,0,0|2,0,0]=4 10894 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000695564 [0,2,0,0,0,0|2,0,0]=4 10895 B16R1.44936 CN(C)CCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000695564 [0,2,0,0,0,0|2,0,0]=4 10896 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)Br 240690a_100000210585_100000690891 [0,2,0,0,0,0|2,0,0]=4 10897 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)Br 527a_100000210585_100000690891 [0,2,0,0,0,0|2,0,0]=4 10898 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)Cl 240690a_100000210585_100011253703 [0,2,0,0,0,0|2,0,0]=4 10899 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)Cl 527a_100000210585_100011253703 [0,2,0,0,0,0|2,0,0]=4 10900 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)F 240690a_100000210585_100000752694 [0,2,0,0,0,0|2,0,0]=4 10901 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)F 527a_100000210585_100000752694 [0,2,0,0,0,0|2,0,0]=4 10902 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)O 240690a_100000210585_100011935254 [0,2,0,0,0,0|2,0,0]=4 10903 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Br)O 527a_100000210585_100011935254 [0,2,0,0,0,0|2,0,0]=4 10904 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Cl)Cl 240690a_100000210585_100000210656 [0,2,0,0,0,0|2,0,0]=4 10905 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Cl)F 240690a_100000210585_100000210369 [0,2,0,0,0,0|2,0,0]=4 10906 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Cl)F 527a_100000210585_100000210369 [0,2,0,0,0,0|2,0,0]=4 10907 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Cl)O 240690a_100000210585_100000745519 [0,2,0,0,0,0|2,0,0]=4 10908 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1Cl)O 527a_100000210585_100000745519 [0,2,0,0,0,0|2,0,0]=4 10909 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1F)F 240690a_100000210585_100000210804 [0,2,0,0,0,0|2,0,0]=4 10910 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1F)F 527a_100000210585_100000210804 [0,2,0,0,0,0|2,0,0]=4 10911 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1F)O 527a_100000210585_100000763259 [0,2,0,0,0,0|2,0,0]=4 10912 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1I)Br 240690a_100000210585_100010232521 [0,2,0,0,0,0|2,0,0]=4 10913 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1I)Br 527a_100000210585_100010232521 [0,2,0,0,0,0|2,0,0]=4 10914 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1I)Cl 240690a_100000210585_100000702859 [0,2,0,0,0,0|2,0,0]=4 10915 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1I)Cl 527a_100000210585_100000702859 [0,2,0,0,0,0|2,0,0]=4 10916 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1I)F 240690a_100000210585_100000023732 [0,2,0,0,0,0|2,0,0]=4 10917 B16R1.44936 CN(C)CCNC(=O)c1c(cccc1O)O 527a_100000210585_100000755285 [0,2,0,0,0,0|2,0,0]=4 10918 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)Br 1458a_100000701904_100011214892 [0,2,0,0,0,0|1,0,0]=3 10919 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)C 1458a_100000758298_100011214892 [0,2,0,0,0,0|1,0,0]=3 10920 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)Cl 1458a_100000692601_100011214892 [0,2,0,0,0,0|1,0,0]=3 10921 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)F 1458a_100000762013_100011214892 [0,2,0,0,0,0|1,0,0]=3 10922 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)I 1458a_100000688020_100011214892 [0,2,0,0,0,0|1,0,0]=3 10923 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)C)O 1458a_100011934116_100011214892 [0,2,0,0,0,0|1,0,0]=3 10924 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)Br 1458a_100000701904_200000718107 [0,2,0,0,0,0|2,0,0]=4 10925 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)C 1458a_100000758298_200000718107 [0,2,0,0,0,0|2,0,0]=4 10926 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)Cl 1458a_100000692601_200000718107 [0,2,0,0,0,0|2,0,0]=4 10927 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)F 1458a_100000762013_200000718107 [0,2,0,0,0,0|2,0,0]=4 10928 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)I 1458a_100000688020_200000718107 [0,2,0,0,0,0|2,0,0]=4 10929 B16R1.44936 Cc1cccc(c1C(=O)CCCC(C)O)O 1458a_100011934116_200000718107 [0,2,0,0,0,0|2,0,0]=4 10930 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)Br 1458a_100000701904_100000695564 [0,2,0,0,0,0|2,0,0]=4 10931 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)C 1458a_100000758298_100000695564 [0,2,0,0,0,0|2,0,0]=4 10932 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)Cl 1458a_100000692601_100000695564 [0,2,0,0,0,0|2,0,0]=4 10933 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)F 1458a_100000762013_100000695564 [0,2,0,0,0,0|2,0,0]=4 10934 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)I 1458a_100000688020_100000695564 [0,2,0,0,0,0|2,0,0]=4 10935 B16R1.44936 Cc1cccc(c1C(=O)CCCN(C)C)O 1458a_100011934116_100000695564 [0,2,0,0,0,0|2,0,0]=4 10936 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)Br 1458a_100000701904_100000211751 [0,2,0,0,0,0|2,0,0]=4 10937 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)C 1458a_100000758298_100000211751 [0,2,0,0,0,0|2,0,0]=4 10938 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)Cl 1458a_100000692601_100000211751 [0,2,0,0,0,0|2,0,0]=4 10939 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)F 1458a_100000762013_100000211751 [0,2,0,0,0,0|2,0,0]=4 10940 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)I 1458a_100000688020_100000211751 [0,2,0,0,0,0|2,0,0]=4 10941 B16R1.44936 Cc1cccc(c1C(=O)CCOC(C)C)O 1458a_100011934116_100000211751 [0,2,0,0,0,0|2,0,0]=4 10942 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)Br 1458a_100000701904_100000730970 [0,2,0,0,0,0|2,0,0]=4 10943 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)C 1458a_100000758298_100000730970 [0,2,0,0,0,0|2,0,0]=4 10944 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)Cl 1458a_100000692601_100000730970 [0,2,0,0,0,0|2,0,0]=4 10945 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)F 1458a_100000762013_100000730970 [0,2,0,0,0,0|2,0,0]=4 10946 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)I 1458a_100000688020_100000730970 [0,2,0,0,0,0|2,0,0]=4 10947 B16R1.44936 Cc1cccc(c1C(=O)CCSC(C)C)O 1458a_100011934116_100000730970 [0,2,0,0,0,0|2,0,0]=4 10948 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Br 11a_100000210545_100000701904 [0,2,0,0,0,0|1,0,0]=3 10949 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Br 1626a_100000210545_100000701904 [0,2,0,0,0,0|1,0,0]=3 10950 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Br 240690a_100000210545_100000701904 [0,2,0,0,0,0|1,0,0]=3 10951 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Br 527a_100000210545_100000701904 [0,2,0,0,0,0|1,0,0]=3 10952 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)C 11a_100000210545_100000758298 [0,2,0,0,0,0|1,0,0]=3 10953 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)C 1626a_100000210545_100000758298 [0,2,0,0,0,0|1,0,0]=3 10954 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)C 240690a_100000210545_100000758298 [0,2,0,0,0,0|1,0,0]=3 10955 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Cl 11a_100000210545_100000692601 [0,2,0,0,0,0|1,0,0]=3 10956 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Cl 1626a_100000210545_100000692601 [0,2,0,0,0,0|1,0,0]=3 10957 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)Cl 240690a_100000210545_100000692601 [0,2,0,0,0,0|1,0,0]=3 10958 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)F 11a_100000210545_100000762013 [0,2,0,0,0,0|1,0,0]=3 10959 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)F 1626a_100000210545_100000762013 [0,2,0,0,0,0|1,0,0]=3 10960 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)F 240690a_100000210545_100000762013 [0,2,0,0,0,0|1,0,0]=3 10961 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)F 527a_100000210545_100000762013 [0,2,0,0,0,0|1,0,0]=3 10962 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)I 11a_100000210545_100000688020 [0,2,0,0,0,0|1,0,0]=3 10963 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)I 1626a_100000210545_100000688020 [0,2,0,0,0,0|1,0,0]=3 10964 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)C)I 240690a_100000210545_100000688020 [0,2,0,0,0,0|1,0,0]=3 10965 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)Br 240690a_200000755665_100000701904 [0,2,0,0,0,0|2,0,0]=4 10966 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)Br 527a_200000755665_100000701904 [0,2,0,0,0,0|2,0,0]=4 10967 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)C 240690a_200000755665_100000758298 [0,2,0,0,0,0|2,0,0]=4 10968 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)Cl 240690a_200000755665_100000692601 [0,2,0,0,0,0|2,0,0]=4 10969 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)F 240690a_200000755665_100000762013 [0,2,0,0,0,0|2,0,0]=4 10970 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)F 527a_200000755665_100000762013 [0,2,0,0,0,0|2,0,0]=4 10971 B16R1.44936 Cc1cccc(c1C(=O)NCCC(C)O)I 240690a_200000755665_100000688020 [0,2,0,0,0,0|2,0,0]=4 10972 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)Br 240690a_100000210585_100000701904 [0,2,0,0,0,0|2,0,0]=4 10973 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)Br 527a_100000210585_100000701904 [0,2,0,0,0,0|2,0,0]=4 10974 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)C 240690a_100000210585_100000758298 [0,2,0,0,0,0|2,0,0]=4 10975 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)Cl 240690a_100000210585_100000692601 [0,2,0,0,0,0|2,0,0]=4 10976 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)F 240690a_100000210585_100000762013 [0,2,0,0,0,0|2,0,0]=4 10977 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)F 527a_100000210585_100000762013 [0,2,0,0,0,0|2,0,0]=4 10978 B16R1.44936 Cc1cccc(c1C(=O)NCCN(C)C)I 240690a_100000210585_100000688020 [0,2,0,0,0,0|2,0,0]=4 10979 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)Br 22a_100000696102_100000701904 [0,2,0,0,0,0|2,0,0]=4 10980 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)C 22a_100000696102_100000758298 [0,2,0,0,0,0|2,0,0]=4 10981 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)Cl 22a_100000696102_100000692601 [0,2,0,0,0,0|2,0,0]=4 10982 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)F 22a_100000696102_100000762013 [0,2,0,0,0,0|2,0,0]=4 10983 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)I 22a_100000696102_100000688020 [0,2,0,0,0,0|2,0,0]=4 10984 B16R1.44936 Cc1cccc(c1C(=O)NNCC(C)C)O 22a_100000696102_100011934116 [0,2,0,0,0,0|2,0,0]=4 10985 B16R1.44936 Cc1cccc(c1C(C)OCCC(C)C)C 34a_200000695261_100000210312 [0,2,0,0,0,0|1,0,1]=4 10986 B16R1.44936 Cc1cccc(c1C(C)OCCC(C)C)C 7a_200000695261_100000210626 [0,2,0,0,0,0|1,0,1]=4 10987 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100011214892 [0,2,0,0,0,0|1,0,0]=3 10988 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011214892 [0,2,0,0,0,0|1,0,0]=3 10989 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100011214892 [0,2,0,0,0,0|1,0,0]=3 10990 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100011214892 [0,2,0,0,0,0|1,0,0]=3 10991 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011214892 [0,2,0,0,0,0|1,0,0]=3 10992 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100011214892 [0,2,0,0,0,0|1,0,0]=3 10993 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100011214892 [0,2,0,0,0,0|1,0,0]=3 10994 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100011214892 [0,2,0,0,0,0|1,0,0]=3 10995 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100011214892 [0,2,0,0,0,0|1,0,0]=3 10996 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100011214892 [0,2,0,0,0,0|1,0,0]=3 10997 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100011214892 [0,2,0,0,0,0|1,0,0]=3 10998 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100011214892 [0,2,0,0,0,0|1,0,0]=3 10999 B16R1.6863 CC(C)CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100011214892 [0,2,0,0,0,0|1,0,0]=3 11000 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Br 11a_100000210545_100000687083 [0,2,0,0,0,0|1,0,0]=3 11001 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Br 1626a_100000210545_100000687083 [0,2,0,0,0,0|1,0,0]=3 11002 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100000210545_100000687083 [0,2,0,0,0,0|1,0,0]=3 11003 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Br 527a_100000210545_100000687083 [0,2,0,0,0,0|1,0,0]=3 11004 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Cl 11a_100000210545_100000687899 [0,2,0,0,0,0|1,0,0]=3 11005 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Cl 1626a_100000210545_100000687899 [0,2,0,0,0,0|1,0,0]=3 11006 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100000210545_100000687899 [0,2,0,0,0,0|1,0,0]=3 11007 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100000210545_100000687899 [0,2,0,0,0,0|1,0,0]=3 11008 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)F 11a_100000210545_100000739618 [0,2,0,0,0,0|1,0,0]=3 11009 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)F 1626a_100000210545_100000739618 [0,2,0,0,0,0|1,0,0]=3 11010 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)F 240690a_100000210545_100000739618 [0,2,0,0,0,0|1,0,0]=3 11011 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)F 527a_100000210545_100000739618 [0,2,0,0,0,0|1,0,0]=3 11012 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)O 240690a_100000210545_100011934545 [0,2,0,0,0,0|1,0,0]=3 11013 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Br)O 527a_100000210545_100011934545 [0,2,0,0,0,0|1,0,0]=3 11014 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100000210545_100000210701 [0,2,0,0,0,0|1,0,0]=3 11015 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100000210545_100000210701 [0,2,0,0,0,0|1,0,0]=3 11016 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100000210545_100000210701 [0,2,0,0,0,0|1,0,0]=3 11017 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100000210545_100000210701 [0,2,0,0,0,0|1,0,0]=3 11018 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)F 11a_100000210545_100000685768 [0,2,0,0,0,0|1,0,0]=3 11019 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)F 1626a_100000210545_100000685768 [0,2,0,0,0,0|1,0,0]=3 11020 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100000210545_100000685768 [0,2,0,0,0,0|1,0,0]=3 11021 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)F 527a_100000210545_100000685768 [0,2,0,0,0,0|1,0,0]=3 11022 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100000210545_100011997059 [0,2,0,0,0,0|1,0,0]=3 11023 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)Cl)O 527a_100000210545_100011997059 [0,2,0,0,0,0|1,0,0]=3 11024 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)F 11a_100000210545_100000211655 [0,2,0,0,0,0|1,0,0]=3 11025 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)F 1626a_100000210545_100000211655 [0,2,0,0,0,0|1,0,0]=3 11026 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)F 240690a_100000210545_100000211655 [0,2,0,0,0,0|1,0,0]=3 11027 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)F 527a_100000210545_100000211655 [0,2,0,0,0,0|1,0,0]=3 11028 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)O 11a_100000210545_100012017291 [0,2,0,0,0,0|1,0,0]=3 11029 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)O 240690a_100000210545_100012017291 [0,2,0,0,0,0|1,0,0]=3 11030 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)F)O 527a_100000210545_100012017291 [0,2,0,0,0,0|1,0,0]=3 11031 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Br 11a_100000210545_100000689235 [0,2,0,0,0,0|1,0,0]=3 11032 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Br 1626a_100000210545_100000689235 [0,2,0,0,0,0|1,0,0]=3 11033 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Br 240690a_100000210545_100000689235 [0,2,0,0,0,0|1,0,0]=3 11034 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Br 527a_100000210545_100000689235 [0,2,0,0,0,0|1,0,0]=3 11035 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Cl 11a_100000210545_100012047205 [0,2,0,0,0,0|1,0,0]=3 11036 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Cl 1626a_100000210545_100012047205 [0,2,0,0,0,0|1,0,0]=3 11037 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100000210545_100012047205 [0,2,0,0,0,0|1,0,0]=3 11038 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)Cl 527a_100000210545_100012047205 [0,2,0,0,0,0|1,0,0]=3 11039 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)F 11a_100000210545_100012047268 [0,2,0,0,0,0|1,0,0]=3 11040 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)F 1626a_100000210545_100012047268 [0,2,0,0,0,0|1,0,0]=3 11041 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)F 240690a_100000210545_100012047268 [0,2,0,0,0,0|1,0,0]=3 11042 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)F 527a_100000210545_100012047268 [0,2,0,0,0,0|1,0,0]=3 11043 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)I 11a_100000210545_100011204819 [0,2,0,0,0,0|1,0,0]=3 11044 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)I 1626a_100000210545_100011204819 [0,2,0,0,0,0|1,0,0]=3 11045 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)I 240690a_100000210545_100011204819 [0,2,0,0,0,0|1,0,0]=3 11046 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)I)I 527a_100000210545_100011204819 [0,2,0,0,0,0|1,0,0]=3 11047 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)O)O 240690a_100000210545_100000690292 [0,2,0,0,0,0|1,0,0]=3 11048 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)O)O 527a_100000210545_100000690292 [0,2,0,0,0,0|1,0,0]=3 11049 B16R1.6863 CC(C)CCO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210312 [0,2,0,0,0,0|1,0,1]=4 11050 B16R1.6863 CC(C)CCO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210626 [0,2,0,0,0,0|1,0,1]=4 11051 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_100000210953_200012340517 [0,2,0,0,0,0|2,0,0]=4 11052 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)Cl)Cl 34a_100000210953_200012340517 [0,2,0,0,0,0|2,0,0]=4 11053 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)F)F 2230a_100000210953_100011216790 [0,2,0,0,0,0|2,0,0]=4 11054 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)F)F 34a_100000210953_100011216790 [0,2,0,0,0,0|2,0,0]=4 11055 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)O)O 2230a_100000210953_100010006762 [0,2,0,0,0,0|2,0,0]=4 11056 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)O)O 34a_100000210953_100010006762 [0,2,0,0,0,0|2,0,0]=4 11057 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Br)Br 22a_100000696102_100000687083 [0,2,0,0,0,0|2,0,0]=4 11058 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Br)Cl 22a_100000696102_100000687899 [0,2,0,0,0,0|2,0,0]=4 11059 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Br)F 22a_100000696102_100000739618 [0,2,0,0,0,0|2,0,0]=4 11060 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Br)O 22a_100000696102_100011934545 [0,2,0,0,0,0|2,0,0]=4 11061 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100000696102_100000210701 [0,2,0,0,0,0|2,0,0]=4 11062 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Cl)F 22a_100000696102_100000685768 [0,2,0,0,0,0|2,0,0]=4 11063 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)Cl)O 22a_100000696102_100011997059 [0,2,0,0,0,0|2,0,0]=4 11064 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)F)F 22a_100000696102_100000211655 [0,2,0,0,0,0|2,0,0]=4 11065 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)F)O 22a_100000696102_100012017291 [0,2,0,0,0,0|2,0,0]=4 11066 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)I)Br 22a_100000696102_100000689235 [0,2,0,0,0,0|2,0,0]=4 11067 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)I)Cl 22a_100000696102_100012047205 [0,2,0,0,0,0|2,0,0]=4 11068 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)I)F 22a_100000696102_100012047268 [0,2,0,0,0,0|2,0,0]=4 11069 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)I)I 22a_100000696102_100011204819 [0,2,0,0,0,0|2,0,0]=4 11070 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)O)O 22a_100000696102_100000690292 [0,2,0,0,0,0|2,0,0]=4 11071 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)Cl)Cl 34a_100000210257_200012340517 [0,2,0,0,0,0|2,0,0]=4 11072 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)F)F 34a_100000210257_100011216790 [0,2,0,0,0,0|2,0,0]=4 11073 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)F)F 34a_100012568930_100000210624 [0,2,0,0,0,0|2,0,0]=4 11074 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)F)F 7a_100012568930_100000210760 [0,2,0,0,0,0|2,0,0]=4 11075 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)O)O 34a_100000210257_100010006762 [0,2,0,0,0,0|2,0,0]=4 11076 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_100000210624_200012340517 [0,2,0,0,0,0|2,0,0]=4 11077 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_100000210760 [0,2,0,0,0,0|2,0,0]=4 11078 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)F)F 62a_100000210624_100011216790 [0,2,0,0,0,0|2,0,0]=4 11079 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)F)F 62a_100011216790_100000210760 [0,2,0,0,0,0|2,0,0]=4 11080 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)O)O 62a_100000210624_100010006762 [0,2,0,0,0,0|2,0,0]=4 11081 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210760 [0,2,0,0,0,0|2,0,0]=4 11082 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000211751 [0,2,0,0,0,0|2,0,0]=4 11083 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000211751 [0,2,0,0,0,0|2,0,0]=4 11084 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000211751 [0,2,0,0,0,0|2,0,0]=4 11085 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000211751 [0,2,0,0,0,0|2,0,0]=4 11086 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000211751 [0,2,0,0,0,0|2,0,0]=4 11087 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000211751 [0,2,0,0,0,0|2,0,0]=4 11088 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000211751 [0,2,0,0,0,0|2,0,0]=4 11089 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000211751 [0,2,0,0,0,0|2,0,0]=4 11090 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000211751 [0,2,0,0,0,0|2,0,0]=4 11091 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000211751 [0,2,0,0,0,0|2,0,0]=4 11092 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000211751 [0,2,0,0,0,0|2,0,0]=4 11093 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000211751 [0,2,0,0,0,0|2,0,0]=4 11094 B16R1.6863 CC(C)OCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000211751 [0,2,0,0,0,0|2,0,0]=4 11095 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000730970 [0,2,0,0,0,0|2,0,0]=4 11096 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000730970 [0,2,0,0,0,0|2,0,0]=4 11097 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000730970 [0,2,0,0,0,0|2,0,0]=4 11098 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000730970 [0,2,0,0,0,0|2,0,0]=4 11099 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000730970 [0,2,0,0,0,0|2,0,0]=4 11100 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000730970 [0,2,0,0,0,0|2,0,0]=4 11101 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000730970 [0,2,0,0,0,0|2,0,0]=4 11102 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000730970 [0,2,0,0,0,0|2,0,0]=4 11103 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000730970 [0,2,0,0,0,0|2,0,0]=4 11104 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000730970 [0,2,0,0,0,0|2,0,0]=4 11105 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000730970 [0,2,0,0,0,0|2,0,0]=4 11106 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000730970 [0,2,0,0,0,0|2,0,0]=4 11107 B16R1.6863 CC(C)SCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000730970 [0,2,0,0,0,0|2,0,0]=4 11108 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000718107 [0,2,0,0,0,0|2,0,0]=4 11109 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000718107 [0,2,0,0,0,0|2,0,0]=4 11110 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000718107 [0,2,0,0,0,0|2,0,0]=4 11111 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000718107 [0,2,0,0,0,0|2,0,0]=4 11112 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000718107 [0,2,0,0,0,0|2,0,0]=4 11113 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000718107 [0,2,0,0,0,0|2,0,0]=4 11114 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000718107 [0,2,0,0,0,0|2,0,0]=4 11115 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000718107 [0,2,0,0,0,0|2,0,0]=4 11116 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000718107 [0,2,0,0,0,0|2,0,0]=4 11117 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000718107 [0,2,0,0,0,0|2,0,0]=4 11118 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000718107 [0,2,0,0,0,0|2,0,0]=4 11119 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000718107 [0,2,0,0,0,0|2,0,0]=4 11120 B16R1.6863 CC(O)CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000718107 [0,2,0,0,0,0|2,0,0]=4 11121 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)Br 240690a_200000755665_100000687083 [0,2,0,0,0,0|2,0,0]=4 11122 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)Br 527a_200000755665_100000687083 [0,2,0,0,0,0|2,0,0]=4 11123 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_200000755665_100000687899 [0,2,0,0,0,0|2,0,0]=4 11124 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)Cl 527a_200000755665_100000687899 [0,2,0,0,0,0|2,0,0]=4 11125 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)F 240690a_200000755665_100000739618 [0,2,0,0,0,0|2,0,0]=4 11126 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)F 527a_200000755665_100000739618 [0,2,0,0,0,0|2,0,0]=4 11127 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)O 240690a_200000755665_100011934545 [0,2,0,0,0,0|2,0,0]=4 11128 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Br)O 527a_200000755665_100011934545 [0,2,0,0,0,0|2,0,0]=4 11129 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_200000755665_100000210701 [0,2,0,0,0,0|2,0,0]=4 11130 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_200000755665_100000210701 [0,2,0,0,0,0|2,0,0]=4 11131 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)F 240690a_200000755665_100000685768 [0,2,0,0,0,0|2,0,0]=4 11132 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)F 527a_200000755665_100000685768 [0,2,0,0,0,0|2,0,0]=4 11133 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)O 240690a_200000755665_100011997059 [0,2,0,0,0,0|2,0,0]=4 11134 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)Cl)O 527a_200000755665_100011997059 [0,2,0,0,0,0|2,0,0]=4 11135 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)F)F 240690a_200000755665_100000211655 [0,2,0,0,0,0|2,0,0]=4 11136 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)F)F 527a_200000755665_100000211655 [0,2,0,0,0,0|2,0,0]=4 11137 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)F)O 240690a_200000755665_100012017291 [0,2,0,0,0,0|2,0,0]=4 11138 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)F)O 527a_200000755665_100012017291 [0,2,0,0,0,0|2,0,0]=4 11139 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)Br 240690a_200000755665_100000689235 [0,2,0,0,0,0|2,0,0]=4 11140 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)Br 527a_200000755665_100000689235 [0,2,0,0,0,0|2,0,0]=4 11141 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)Cl 240690a_200000755665_100012047205 [0,2,0,0,0,0|2,0,0]=4 11142 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)Cl 527a_200000755665_100012047205 [0,2,0,0,0,0|2,0,0]=4 11143 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)F 240690a_200000755665_100012047268 [0,2,0,0,0,0|2,0,0]=4 11144 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)F 527a_200000755665_100012047268 [0,2,0,0,0,0|2,0,0]=4 11145 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)I 240690a_200000755665_100011204819 [0,2,0,0,0,0|2,0,0]=4 11146 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)I)I 527a_200000755665_100011204819 [0,2,0,0,0,0|2,0,0]=4 11147 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)O)O 240690a_200000755665_100000690292 [0,2,0,0,0,0|2,0,0]=4 11148 B16R1.6863 CC(O)CCNC(=O)c1cc(cc(c1)O)O 527a_200000755665_100000690292 [0,2,0,0,0,0|2,0,0]=4 11149 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000695564 [0,2,0,0,0,0|2,0,0]=4 11150 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000695564 [0,2,0,0,0,0|2,0,0]=4 11151 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000695564 [0,2,0,0,0,0|2,0,0]=4 11152 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000695564 [0,2,0,0,0,0|2,0,0]=4 11153 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000695564 [0,2,0,0,0,0|2,0,0]=4 11154 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000695564 [0,2,0,0,0,0|2,0,0]=4 11155 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000695564 [0,2,0,0,0,0|2,0,0]=4 11156 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000695564 [0,2,0,0,0,0|2,0,0]=4 11157 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000695564 [0,2,0,0,0,0|2,0,0]=4 11158 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000695564 [0,2,0,0,0,0|2,0,0]=4 11159 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000695564 [0,2,0,0,0,0|2,0,0]=4 11160 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000695564 [0,2,0,0,0,0|2,0,0]=4 11161 B16R1.6863 CN(C)CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000695564 [0,2,0,0,0,0|2,0,0]=4 11162 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100000210585_100000687083 [0,2,0,0,0,0|2,0,0]=4 11163 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)Br 527a_100000210585_100000687083 [0,2,0,0,0,0|2,0,0]=4 11164 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100000210585_100000687899 [0,2,0,0,0,0|2,0,0]=4 11165 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100000210585_100000687899 [0,2,0,0,0,0|2,0,0]=4 11166 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)F 240690a_100000210585_100000739618 [0,2,0,0,0,0|2,0,0]=4 11167 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)F 527a_100000210585_100000739618 [0,2,0,0,0,0|2,0,0]=4 11168 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)O 240690a_100000210585_100011934545 [0,2,0,0,0,0|2,0,0]=4 11169 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Br)O 527a_100000210585_100011934545 [0,2,0,0,0,0|2,0,0]=4 11170 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100000210585_100000210701 [0,2,0,0,0,0|2,0,0]=4 11171 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100000210585_100000210701 [0,2,0,0,0,0|2,0,0]=4 11172 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100000210585_100000685768 [0,2,0,0,0,0|2,0,0]=4 11173 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)F 527a_100000210585_100000685768 [0,2,0,0,0,0|2,0,0]=4 11174 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100000210585_100011997059 [0,2,0,0,0,0|2,0,0]=4 11175 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)Cl)O 527a_100000210585_100011997059 [0,2,0,0,0,0|2,0,0]=4 11176 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)F)F 240690a_100000210585_100000211655 [0,2,0,0,0,0|2,0,0]=4 11177 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)F)F 527a_100000210585_100000211655 [0,2,0,0,0,0|2,0,0]=4 11178 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)F)O 240690a_100000210585_100012017291 [0,2,0,0,0,0|2,0,0]=4 11179 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)F)O 527a_100000210585_100012017291 [0,2,0,0,0,0|2,0,0]=4 11180 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)Br 240690a_100000210585_100000689235 [0,2,0,0,0,0|2,0,0]=4 11181 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)Br 527a_100000210585_100000689235 [0,2,0,0,0,0|2,0,0]=4 11182 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100000210585_100012047205 [0,2,0,0,0,0|2,0,0]=4 11183 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)Cl 527a_100000210585_100012047205 [0,2,0,0,0,0|2,0,0]=4 11184 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)F 240690a_100000210585_100012047268 [0,2,0,0,0,0|2,0,0]=4 11185 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)F 527a_100000210585_100012047268 [0,2,0,0,0,0|2,0,0]=4 11186 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)I 240690a_100000210585_100011204819 [0,2,0,0,0,0|2,0,0]=4 11187 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)I)I 527a_100000210585_100011204819 [0,2,0,0,0,0|2,0,0]=4 11188 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)O)O 240690a_100000210585_100000690292 [0,2,0,0,0,0|2,0,0]=4 11189 B16R1.6863 CN(C)CCNC(=O)c1cc(cc(c1)O)O 527a_100000210585_100000690292 [0,2,0,0,0,0|2,0,0]=4 11190 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)Br 1458a_100000760426_100011214892 [0,2,0,0,0,0|1,0,0]=3 11191 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)C 1458a_100000210874_100011214892 [0,2,0,0,0,0|1,0,0]=3 11192 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)Cl 1458a_100000684526_100011214892 [0,2,0,0,0,0|1,0,0]=3 11193 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)F 1458a_100000763163_100011214892 [0,2,0,0,0,0|1,0,0]=3 11194 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)I 1458a_100000729426_100011214892 [0,2,0,0,0,0|1,0,0]=3 11195 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)C)O 1458a_100000094094_100011214892 [0,2,0,0,0,0|1,0,0]=3 11196 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)Br 1458a_100000760426_200000718107 [0,2,0,0,0,0|2,0,0]=4 11197 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)C 1458a_100000210874_200000718107 [0,2,0,0,0,0|2,0,0]=4 11198 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)Cl 1458a_100000684526_200000718107 [0,2,0,0,0,0|2,0,0]=4 11199 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)F 1458a_100000763163_200000718107 [0,2,0,0,0,0|2,0,0]=4 11200 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)I 1458a_100000729426_200000718107 [0,2,0,0,0,0|2,0,0]=4 11201 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCC(C)O)O 1458a_100000094094_200000718107 [0,2,0,0,0,0|2,0,0]=4 11202 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)Br 1458a_100000760426_100000695564 [0,2,0,0,0,0|2,0,0]=4 11203 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)C 1458a_100000210874_100000695564 [0,2,0,0,0,0|2,0,0]=4 11204 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)Cl 1458a_100000684526_100000695564 [0,2,0,0,0,0|2,0,0]=4 11205 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)F 1458a_100000763163_100000695564 [0,2,0,0,0,0|2,0,0]=4 11206 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)I 1458a_100000729426_100000695564 [0,2,0,0,0,0|2,0,0]=4 11207 B16R1.6863 Cc1cc(cc(c1)C(=O)CCCN(C)C)O 1458a_100000094094_100000695564 [0,2,0,0,0,0|2,0,0]=4 11208 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)Br 1458a_100000760426_100000211751 [0,2,0,0,0,0|2,0,0]=4 11209 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)C 1458a_100000210874_100000211751 [0,2,0,0,0,0|2,0,0]=4 11210 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)Cl 1458a_100000684526_100000211751 [0,2,0,0,0,0|2,0,0]=4 11211 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)F 1458a_100000763163_100000211751 [0,2,0,0,0,0|2,0,0]=4 11212 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)I 1458a_100000729426_100000211751 [0,2,0,0,0,0|2,0,0]=4 11213 B16R1.6863 Cc1cc(cc(c1)C(=O)CCOC(C)C)O 1458a_100000094094_100000211751 [0,2,0,0,0,0|2,0,0]=4 11214 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)Br 1458a_100000760426_100000730970 [0,2,0,0,0,0|2,0,0]=4 11215 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)C 1458a_100000210874_100000730970 [0,2,0,0,0,0|2,0,0]=4 11216 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)Cl 1458a_100000684526_100000730970 [0,2,0,0,0,0|2,0,0]=4 11217 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)F 1458a_100000763163_100000730970 [0,2,0,0,0,0|2,0,0]=4 11218 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)I 1458a_100000729426_100000730970 [0,2,0,0,0,0|2,0,0]=4 11219 B16R1.6863 Cc1cc(cc(c1)C(=O)CCSC(C)C)O 1458a_100000094094_100000730970 [0,2,0,0,0,0|2,0,0]=4 11220 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Br 11a_100000210545_100000760426 [0,2,0,0,0,0|1,0,0]=3 11221 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Br 1626a_100000210545_100000760426 [0,2,0,0,0,0|1,0,0]=3 11222 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Br 240690a_100000210545_100000760426 [0,2,0,0,0,0|1,0,0]=3 11223 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Br 527a_100000210545_100000760426 [0,2,0,0,0,0|1,0,0]=3 11224 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)C 11a_100000210545_100000210874 [0,2,0,0,0,0|1,0,0]=3 11225 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)C 1626a_100000210545_100000210874 [0,2,0,0,0,0|1,0,0]=3 11226 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)C 240690a_100000210545_100000210874 [0,2,0,0,0,0|1,0,0]=3 11227 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)C 527a_100000210545_100000210874 [0,2,0,0,0,0|1,0,0]=3 11228 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Cl 11a_100000210545_100000684526 [0,2,0,0,0,0|1,0,0]=3 11229 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Cl 1626a_100000210545_100000684526 [0,2,0,0,0,0|1,0,0]=3 11230 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Cl 240690a_100000210545_100000684526 [0,2,0,0,0,0|1,0,0]=3 11231 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)Cl 527a_100000210545_100000684526 [0,2,0,0,0,0|1,0,0]=3 11232 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)F 11a_100000210545_100000763163 [0,2,0,0,0,0|1,0,0]=3 11233 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)F 1626a_100000210545_100000763163 [0,2,0,0,0,0|1,0,0]=3 11234 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)F 240690a_100000210545_100000763163 [0,2,0,0,0,0|1,0,0]=3 11235 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)F 527a_100000210545_100000763163 [0,2,0,0,0,0|1,0,0]=3 11236 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)I 11a_100000210545_100000729426 [0,2,0,0,0,0|1,0,0]=3 11237 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)I 1626a_100000210545_100000729426 [0,2,0,0,0,0|1,0,0]=3 11238 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)I 240690a_100000210545_100000729426 [0,2,0,0,0,0|1,0,0]=3 11239 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)I 527a_100000210545_100000729426 [0,2,0,0,0,0|1,0,0]=3 11240 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)O 240690a_100000210545_100000094094 [0,2,0,0,0,0|1,0,0]=3 11241 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)C)O 527a_100000210545_100000094094 [0,2,0,0,0,0|1,0,0]=3 11242 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)Br 240690a_200000755665_100000760426 [0,2,0,0,0,0|2,0,0]=4 11243 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)Br 527a_200000755665_100000760426 [0,2,0,0,0,0|2,0,0]=4 11244 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)C 240690a_200000755665_100000210874 [0,2,0,0,0,0|2,0,0]=4 11245 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)C 527a_200000755665_100000210874 [0,2,0,0,0,0|2,0,0]=4 11246 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)Cl 240690a_200000755665_100000684526 [0,2,0,0,0,0|2,0,0]=4 11247 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)Cl 527a_200000755665_100000684526 [0,2,0,0,0,0|2,0,0]=4 11248 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)F 240690a_200000755665_100000763163 [0,2,0,0,0,0|2,0,0]=4 11249 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)F 527a_200000755665_100000763163 [0,2,0,0,0,0|2,0,0]=4 11250 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)I 240690a_200000755665_100000729426 [0,2,0,0,0,0|2,0,0]=4 11251 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)I 527a_200000755665_100000729426 [0,2,0,0,0,0|2,0,0]=4 11252 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)O 240690a_200000755665_100000094094 [0,2,0,0,0,0|2,0,0]=4 11253 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCC(C)O)O 527a_200000755665_100000094094 [0,2,0,0,0,0|2,0,0]=4 11254 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)Br 240690a_100000210585_100000760426 [0,2,0,0,0,0|2,0,0]=4 11255 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)Br 527a_100000210585_100000760426 [0,2,0,0,0,0|2,0,0]=4 11256 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)C 240690a_100000210585_100000210874 [0,2,0,0,0,0|2,0,0]=4 11257 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)C 527a_100000210585_100000210874 [0,2,0,0,0,0|2,0,0]=4 11258 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)Cl 240690a_100000210585_100000684526 [0,2,0,0,0,0|2,0,0]=4 11259 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)Cl 527a_100000210585_100000684526 [0,2,0,0,0,0|2,0,0]=4 11260 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)F 240690a_100000210585_100000763163 [0,2,0,0,0,0|2,0,0]=4 11261 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)F 527a_100000210585_100000763163 [0,2,0,0,0,0|2,0,0]=4 11262 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)I 240690a_100000210585_100000729426 [0,2,0,0,0,0|2,0,0]=4 11263 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)I 527a_100000210585_100000729426 [0,2,0,0,0,0|2,0,0]=4 11264 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)O 240690a_100000210585_100000094094 [0,2,0,0,0,0|2,0,0]=4 11265 B16R1.6863 Cc1cc(cc(c1)C(=O)NCCN(C)C)O 527a_100000210585_100000094094 [0,2,0,0,0,0|2,0,0]=4 11266 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)Br 22a_100000696102_100000760426 [0,2,0,0,0,0|2,0,0]=4 11267 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)C 22a_100000696102_100000210874 [0,2,0,0,0,0|2,0,0]=4 11268 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)Cl 22a_100000696102_100000684526 [0,2,0,0,0,0|2,0,0]=4 11269 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)F 22a_100000696102_100000763163 [0,2,0,0,0,0|2,0,0]=4 11270 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)I 22a_100000696102_100000729426 [0,2,0,0,0,0|2,0,0]=4 11271 B16R1.6863 Cc1cc(cc(c1)C(=O)NNCC(C)C)O 22a_100000696102_100000094094 [0,2,0,0,0,0|2,0,0]=4 11272 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Br 11a_100000738805_100000210664 [0,2,0,0,0,0|1,0,0]=3 11273 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Br 1626a_100000738805_100000210664 [0,2,0,0,0,0|1,0,0]=3 11274 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Br 240690a_100000738805_100000210664 [0,2,0,0,0,0|1,0,0]=3 11275 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Br 527a_100000738805_100000210664 [0,2,0,0,0,0|1,0,0]=3 11276 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Cl 11a_100000738805_100000210390 [0,2,0,0,0,0|1,0,0]=3 11277 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Cl 1626a_100000738805_100000210390 [0,2,0,0,0,0|1,0,0]=3 11278 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Cl 240690a_100000738805_100000210390 [0,2,0,0,0,0|1,0,0]=3 11279 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)Cl 527a_100000738805_100000210390 [0,2,0,0,0,0|1,0,0]=3 11280 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)F 11a_100000738805_100000210950 [0,2,0,0,0,0|1,0,0]=3 11281 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)F 1626a_100000738805_100000210950 [0,2,0,0,0,0|1,0,0]=3 11282 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)F 240690a_100000738805_100000210950 [0,2,0,0,0,0|1,0,0]=3 11283 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)F 527a_100000738805_100000210950 [0,2,0,0,0,0|1,0,0]=3 11284 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)I 11a_100000738805_100000184098 [0,2,0,0,0,0|1,0,0]=3 11285 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)I 1626a_100000738805_100000184098 [0,2,0,0,0,0|1,0,0]=3 11286 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)I 240690a_100000738805_100000184098 [0,2,0,0,0,0|1,0,0]=3 11287 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)I 527a_100000738805_100000184098 [0,2,0,0,0,0|1,0,0]=3 11288 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)O 240690a_100000738805_100000183914 [0,2,0,0,0,0|1,0,0]=3 11289 B16R1.11185 CC(C)(C)CCNC(=O)c1cccc(c1)O 527a_100000738805_100000183914 [0,2,0,0,0,0|1,0,0]=3 11290 B16R1.11185 CC(C)(C)CNCC(=O)c1cccc(c1)Br 2230a_100000743828_100000212080 [0,2,0,0,0,0|2,0,0]=4 11291 B16R1.11185 CC(C)(C)CNCC(=O)c1cccc(c1)Cl 2230a_100000743828_100000211444 [0,2,0,0,0,0|2,0,0]=4 11292 B16R1.11185 CC(C)(C)CNCC(=O)c1cccc(c1)F 2230a_100000743828_100000215616 [0,2,0,0,0,0|2,0,0]=4 11293 B16R1.11185 CC(C)(C)COCC(=O)c1cccc(c1)F 34a_100011592800_100011219605 [0,2,0,0,0,0|2,0,0]=4 11294 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100011219605 [0,2,0,0,0,0|2,0,0]=4 11295 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)Br 62a_100011219605_100000212080 [0,2,0,0,0,0|2,0,0]=4 11296 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011219605 [0,2,0,0,0,0|2,0,0]=4 11297 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)Cl 62a_100011219605_100000211444 [0,2,0,0,0,0|2,0,0]=4 11298 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)F 62a_100000215616_100011219605 [0,2,0,0,0,0|2,0,0]=4 11299 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)F 62a_100011219605_100000215616 [0,2,0,0,0,0|2,0,0]=4 11300 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)O 62a_100009813753_100011219605 [0,2,0,0,0,0|2,0,0]=4 11301 B16R1.11185 CC(C)(C)CSCC(=O)c1cccc(c1)O 62a_100011219605_100009813753 [0,2,0,0,0,0|2,0,0]=4 11302 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Br 11a_100016253952_100000210664 [0,2,0,0,0,0|1,0,0]=3 11303 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Br 1626a_100016253952_100000210664 [0,2,0,0,0,0|1,0,0]=3 11304 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Br 240690a_100016253952_100000210664 [0,2,0,0,0,0|1,0,0]=3 11305 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Br 527a_100016253952_100000210664 [0,2,0,0,0,0|1,0,0]=3 11306 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Cl 11a_100016253952_100000210390 [0,2,0,0,0,0|1,0,0]=3 11307 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Cl 1626a_100016253952_100000210390 [0,2,0,0,0,0|1,0,0]=3 11308 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Cl 240690a_100016253952_100000210390 [0,2,0,0,0,0|1,0,0]=3 11309 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)Cl 527a_100016253952_100000210390 [0,2,0,0,0,0|1,0,0]=3 11310 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)F 11a_100016253952_100000210950 [0,2,0,0,0,0|1,0,0]=3 11311 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)F 1626a_100016253952_100000210950 [0,2,0,0,0,0|1,0,0]=3 11312 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)F 240690a_100016253952_100000210950 [0,2,0,0,0,0|1,0,0]=3 11313 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)F 527a_100016253952_100000210950 [0,2,0,0,0,0|1,0,0]=3 11314 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)I 11a_100016253952_100000184098 [0,2,0,0,0,0|1,0,0]=3 11315 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)I 1626a_100016253952_100000184098 [0,2,0,0,0,0|1,0,0]=3 11316 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)I 240690a_100016253952_100000184098 [0,2,0,0,0,0|1,0,0]=3 11317 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)I 527a_100016253952_100000184098 [0,2,0,0,0,0|1,0,0]=3 11318 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)O 240690a_100016253952_100000183914 [0,2,0,0,0,0|1,0,0]=3 11319 B16R1.11185 CC(C)(F)CCNC(=O)c1cccc(c1)O 527a_100016253952_100000183914 [0,2,0,0,0,0|1,0,0]=3 11320 B16R1.11185 CC(C)(F)CNCC(=O)c1cccc(c1)Br 2230a_100020643315_100000212080 [0,2,0,0,0,0|2,0,0]=4 11321 B16R1.11185 CC(C)(F)CNCC(=O)c1cccc(c1)Cl 2230a_100020643315_100000211444 [0,2,0,0,0,0|2,0,0]=4 11322 B16R1.11185 CC(C)(F)CNCC(=O)c1cccc(c1)F 2230a_100020643315_100000215616 [0,2,0,0,0,0|2,0,0]=4 11323 B16R1.11185 CC(C)(F)COCC(=O)c1cccc(c1)Br 34a_100000716592_100000212080 [0,2,0,0,0,0|2,0,0]=4 11324 B16R1.11185 CC(C)(F)COCC(=O)c1cccc(c1)Cl 34a_100000716592_100000211444 [0,2,0,0,0,0|2,0,0]=4 11325 B16R1.11185 CC(C)(F)COCC(=O)c1cccc(c1)F 34a_100000716592_100000215616 [0,2,0,0,0,0|2,0,0]=4 11326 B16R1.11185 CC(C)(F)COCC(=O)c1cccc(c1)F 34a_100011592800_100011997219 [0,2,0,0,0,0|2,0,0]=4 11327 B16R1.11185 CC(C)(F)COCC(=O)c1cccc(c1)O 34a_100000716592_100009813753 [0,2,0,0,0,0|2,0,0]=4 11328 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100011997219 [0,2,0,0,0,0|2,0,0]=4 11329 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)Br 62a_100011997219_100000212080 [0,2,0,0,0,0|2,0,0]=4 11330 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011997219 [0,2,0,0,0,0|2,0,0]=4 11331 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)Cl 62a_100011997219_100000211444 [0,2,0,0,0,0|2,0,0]=4 11332 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)F 62a_100000215616_100011997219 [0,2,0,0,0,0|2,0,0]=4 11333 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)F 62a_100011997219_100000215616 [0,2,0,0,0,0|2,0,0]=4 11334 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)O 62a_100009813753_100011997219 [0,2,0,0,0,0|2,0,0]=4 11335 B16R1.11185 CC(C)(F)CSCC(=O)c1cccc(c1)O 62a_100011997219_100009813753 [0,2,0,0,0,0|2,0,0]=4 11336 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)Br 1626a_100000707701_100000210664 [0,2,0,0,0,0|1,0,0]=3 11337 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)Br 527a_100000707701_100000210664 [0,2,0,0,0,0|1,0,0]=3 11338 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)Cl 1626a_100000707701_100000210390 [0,2,0,0,0,0|1,0,0]=3 11339 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)Cl 527a_100000707701_100000210390 [0,2,0,0,0,0|1,0,0]=3 11340 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)F 1626a_100000707701_100000210950 [0,2,0,0,0,0|1,0,0]=3 11341 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)F 527a_100000707701_100000210950 [0,2,0,0,0,0|1,0,0]=3 11342 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)I 1626a_100000707701_100000184098 [0,2,0,0,0,0|1,0,0]=3 11343 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)I 527a_100000707701_100000184098 [0,2,0,0,0,0|1,0,0]=3 11344 B16R1.11185 CC(C)(O)CCNC(=O)c1cccc(c1)O 527a_100000707701_100000183914 [0,2,0,0,0,0|1,0,0]=3 11345 B16R1.11185 CC(C)(O)CNCC(=O)c1cccc(c1)Br 2230a_100000751335_100000212080 [0,2,0,0,0,0|2,0,0]=4 11346 B16R1.11185 CC(C)(O)CNCC(=O)c1cccc(c1)Cl 2230a_100000751335_100000211444 [0,2,0,0,0,0|2,0,0]=4 11347 B16R1.11185 CC(C)(O)CNCC(=O)c1cccc(c1)F 2230a_100000751335_100000215616 [0,2,0,0,0,0|2,0,0]=4 11348 B16R1.11185 CC(C)(O)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100000764493 [0,2,0,0,0,0|2,0,0]=4 11349 B16R1.11185 CC(C)(O)COCC(=O)c1cccc(c1)F 34a_100011592800_100000764493 [0,2,0,0,0,0|2,0,0]=4 11350 B16R1.11185 CC(C)(O)COCC(=O)c1cccc(c1)F 7a_100011592800_100000764493 [0,2,0,0,0,0|2,0,0]=4 11351 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100000764493 [0,2,0,0,0,0|2,0,0]=4 11352 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)Br 62a_100000764493_100000212080 [0,2,0,0,0,0|2,0,0]=4 11353 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000764493 [0,2,0,0,0,0|2,0,0]=4 11354 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)Cl 62a_100000764493_100000211444 [0,2,0,0,0,0|2,0,0]=4 11355 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)F 62a_100000215616_100000764493 [0,2,0,0,0,0|2,0,0]=4 11356 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)F 62a_100000764493_100000215616 [0,2,0,0,0,0|2,0,0]=4 11357 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)O 62a_100000764493_100009813753 [0,2,0,0,0,0|2,0,0]=4 11358 B16R1.11185 CC(C)(O)CSCC(=O)c1cccc(c1)O 62a_100009813753_100000764493 [0,2,0,0,0,0|2,0,0]=4 11359 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)Br 34a_100000246457_100000755188 [0,2,0,0,0,0|1,0,1]=4 11360 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)Br 7a_100000246457_100000755188 [0,2,0,0,0,0|1,0,1]=4 11361 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)F 34a_100000744526_100000755188 [0,2,0,0,0,0|1,0,1]=4 11362 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)F 7a_100000744526_100000755188 [0,2,0,0,0,0|1,0,1]=4 11363 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)I 34a_100013085317_100000755188 [0,2,0,0,0,0|1,0,1]=4 11364 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)I 7a_100013085317_100000755188 [0,2,0,0,0,0|1,0,1]=4 11365 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)N 34a_100011217120_100000755188 [0,2,0,0,0,0|1,0,1]=4 11366 B16R1.11185 CC(OCCC(C)(C)C)c1cccc(c1)N 7a_100011217120_100000755188 [0,2,0,0,0,0|1,0,1]=4 11367 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)Br 34a_100000246457_100000702414 [0,2,0,0,0,0|1,0,1]=4 11368 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)Br 7a_100000246457_100000702414 [0,2,0,0,0,0|1,0,1]=4 11369 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)F 34a_100000744526_100000702414 [0,2,0,0,0,0|1,0,1]=4 11370 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)F 7a_100000744526_100000702414 [0,2,0,0,0,0|1,0,1]=4 11371 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)I 34a_100013085317_100000702414 [0,2,0,0,0,0|1,0,1]=4 11372 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)I 7a_100013085317_100000702414 [0,2,0,0,0,0|1,0,1]=4 11373 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)N 34a_100011217120_100000702414 [0,2,0,0,0,0|1,0,1]=4 11374 B16R1.11185 CC(OCCC(C)(C)O)c1cccc(c1)N 7a_100011217120_100000702414 [0,2,0,0,0,0|1,0,1]=4 11375 B16R1.11185 C[C@@H](OCCC(C)(C)C)c1cccc(c1)Cl 34a_100000747380_100000755188 [0,2,0,0,0,0|1,0,1]=4 11376 B16R1.11185 C[C@@H](OCCC(C)(C)C)c1cccc(c1)Cl 7a_100000747380_100000755188 [0,2,0,0,0,0|1,0,1]=4 11377 B16R1.11185 C[C@@H](OCCC(C)(C)O)c1cccc(c1)Cl 34a_100000747380_100000702414 [0,2,0,0,0,0|1,0,1]=4 11378 B16R1.11185 C[C@@H](OCCC(C)(C)O)c1cccc(c1)Cl 7a_100000747380_100000702414 [0,2,0,0,0,0|1,0,1]=4 11379 B16R1.11185 C[N+](C)(C)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100016990835 [0,2,0,0,0,0|2,0,0]=4 11380 B16R1.11185 C[N+](C)(C)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100016990835 [0,2,0,0,0,0|2,0,0]=4 11381 B16R1.11185 C[N+](C)(C)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100016990835 [0,2,0,0,0,0|2,0,0]=4 11382 B16R1.11185 C[N+](C)(C)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100016990835 [0,2,0,0,0,0|2,0,0]=4 11383 B16R1.11185 C[N+](C)(C)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100016990835 [0,2,0,0,0,0|2,0,0]=4 11384 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Br 1626a_100000106457_100000210664 [0,2,0,0,0,0|2,0,0]=4 11385 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Br 240690a_100000106457_100000210664 [0,2,0,0,0,0|2,0,0]=4 11386 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Br 527a_100000106457_100000210664 [0,2,0,0,0,0|2,0,0]=4 11387 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Cl 1626a_100000106457_100000210390 [0,2,0,0,0,0|2,0,0]=4 11388 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Cl 240690a_100000106457_100000210390 [0,2,0,0,0,0|2,0,0]=4 11389 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)Cl 527a_100000106457_100000210390 [0,2,0,0,0,0|2,0,0]=4 11390 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)F 1626a_100000106457_100000210950 [0,2,0,0,0,0|2,0,0]=4 11391 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)F 240690a_100000106457_100000210950 [0,2,0,0,0,0|2,0,0]=4 11392 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)F 527a_100000106457_100000210950 [0,2,0,0,0,0|2,0,0]=4 11393 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)I 1626a_100000106457_100000184098 [0,2,0,0,0,0|2,0,0]=4 11394 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)I 240690a_100000106457_100000184098 [0,2,0,0,0,0|2,0,0]=4 11395 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)I 527a_100000106457_100000184098 [0,2,0,0,0,0|2,0,0]=4 11396 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)O 240690a_100000106457_100000183914 [0,2,0,0,0,0|2,0,0]=4 11397 B16R1.11185 C[N+](C)(C)CCNC(=O)c1cccc(c1)O 527a_100000106457_100000183914 [0,2,0,0,0,0|2,0,0]=4 11398 B16R1.11185 C[Si](C)(C)CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011219597 [0,2,0,0,0,0|1,1,0]=4 11399 B16R1.11185 C[Si](C)(C)CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011219597 [0,2,0,0,0,0|1,1,0]=4 11400 B16R1.11185 C[Si](C)(C)CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011219597 [0,2,0,0,0,0|1,1,0]=4 11401 B16R1.11185 C[Si](C)(C)CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011219597 [0,2,0,0,0,0|1,1,0]=4 11402 B16R1.11185 C[Si](C)(C)CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011219597 [0,2,0,0,0,0|1,1,0]=4 11403 B16R1.11185 Cc1cccc(c1)C(=O)CCC[N+](C)(C)C 1458a_100000189346_100016990835 [0,2,0,0,0,0|2,0,0]=4 11404 B16R1.11185 Cc1cccc(c1)C(=O)CCC[Si](C)(C)C 1458a_100000189346_100011219597 [0,2,0,0,0,0|1,1,0]=4 11405 B16R1.11185 Cc1cccc(c1)C(=O)CNCC(C)(C)C 2230a_100000743828_100000739480 [0,2,0,0,0,0|2,0,0]=4 11406 B16R1.11185 Cc1cccc(c1)C(=O)CNCC(C)(C)F 2230a_100020643315_100000739480 [0,2,0,0,0,0|2,0,0]=4 11407 B16R1.11185 Cc1cccc(c1)C(=O)CNCC(C)(C)O 2230a_100000751335_100000739480 [0,2,0,0,0,0|2,0,0]=4 11408 B16R1.11185 Cc1cccc(c1)C(=O)COCC(C)(C)F 34a_100000716592_100000739480 [0,2,0,0,0,0|2,0,0]=4 11409 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)C 62a_100000739480_100011219605 [0,2,0,0,0,0|2,0,0]=4 11410 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)C 62a_100011219605_100000739480 [0,2,0,0,0,0|2,0,0]=4 11411 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)F 62a_100000739480_100011997219 [0,2,0,0,0,0|2,0,0]=4 11412 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)F 62a_100011997219_100000739480 [0,2,0,0,0,0|2,0,0]=4 11413 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)O 62a_100000739480_100000764493 [0,2,0,0,0,0|2,0,0]=4 11414 B16R1.11185 Cc1cccc(c1)C(=O)CSCC(C)(C)O 62a_100000764493_100000739480 [0,2,0,0,0,0|2,0,0]=4 11415 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)C 11a_100000738805_100000189346 [0,2,0,0,0,0|1,0,0]=3 11416 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)C 1626a_100000738805_100000189346 [0,2,0,0,0,0|1,0,0]=3 11417 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)C 240690a_100000738805_100000189346 [0,2,0,0,0,0|1,0,0]=3 11418 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)C 527a_100000738805_100000189346 [0,2,0,0,0,0|1,0,0]=3 11419 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)F 11a_100016253952_100000189346 [0,2,0,0,0,0|1,0,0]=3 11420 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)F 1626a_100016253952_100000189346 [0,2,0,0,0,0|1,0,0]=3 11421 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)F 240690a_100016253952_100000189346 [0,2,0,0,0,0|1,0,0]=3 11422 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)F 527a_100016253952_100000189346 [0,2,0,0,0,0|1,0,0]=3 11423 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)O 1626a_100000707701_100000189346 [0,2,0,0,0,0|1,0,0]=3 11424 B16R1.11185 Cc1cccc(c1)C(=O)NCCC(C)(C)O 527a_100000707701_100000189346 [0,2,0,0,0,0|1,0,0]=3 11425 B16R1.11185 Cc1cccc(c1)C(=O)NCC[N+](C)(C)C 1626a_100000106457_100000189346 [0,2,0,0,0,0|2,0,0]=4 11426 B16R1.11185 Cc1cccc(c1)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100000189346 [0,2,0,0,0,0|2,0,0]=4 11427 B16R1.11185 Cc1cccc(c1)C(=O)NCC[N+](C)(C)C 527a_100000106457_100000189346 [0,2,0,0,0,0|2,0,0]=4 11428 B16R1.11185 Cc1cccc(c1)C(C)OCCC(C)(C)C 34a_100000757818_100000755188 [0,2,0,0,0,0|1,0,1]=4 11429 B16R1.11185 Cc1cccc(c1)C(C)OCCC(C)(C)C 7a_100000757818_100000755188 [0,2,0,0,0,0|1,0,1]=4 11430 B16R1.11185 Cc1cccc(c1)C(C)OCCC(C)(C)O 34a_100000757818_100000702414 [0,2,0,0,0,0|1,0,1]=4 11431 B16R1.11185 Cc1cccc(c1)C(C)OCCC(C)(C)O 7a_100000757818_100000702414 [0,2,0,0,0,0|1,0,1]=4 11432 B16R1.19729 C#Cc1cccc(c1)C(=O)CCCC(C)C 1458a_100011997762_100011214892 [0,2,0,0,0,0|1,0,0]=3 11433 B16R1.19729 C#Cc1cccc(c1)C(=O)CCCC(C)O 1458a_100011997762_200000718107 [0,2,0,0,0,0|2,0,0]=4 11434 B16R1.19729 C#Cc1cccc(c1)C(=O)CCCN(C)C 1458a_100011997762_100000695564 [0,2,0,0,0,0|2,0,0]=4 11435 B16R1.19729 C#Cc1cccc(c1)C(=O)CCOC(C)C 1458a_100011997762_100000211751 [0,2,0,0,0,0|2,0,0]=4 11436 B16R1.19729 C#Cc1cccc(c1)C(=O)CCSC(C)C 1458a_100011997762_100000730970 [0,2,0,0,0,0|2,0,0]=4 11437 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100011997762 [0,2,0,0,0,0|1,0,0]=3 11438 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100011997762 [0,2,0,0,0,0|1,0,0]=3 11439 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100011997762 [0,2,0,0,0,0|1,0,0]=3 11440 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100011997762 [0,2,0,0,0,0|1,0,0]=3 11441 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100011997762 [0,2,0,0,0,0|2,0,0]=4 11442 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100011997762 [0,2,0,0,0,0|2,0,0]=4 11443 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100011997762 [0,2,0,0,0,0|2,0,0]=4 11444 B16R1.19729 C#Cc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100011997762 [0,2,0,0,0,0|2,0,0]=4 11445 B16R1.19729 C#Cc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100011997762 [0,2,0,0,0,0|2,0,0]=4 11446 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCC(C)C 1458a_100011215009_100011214892 [0,2,0,0,0,0|1,0,0]=3 11447 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCC(C)O 1458a_100011215009_200000718107 [0,2,0,0,0,0|2,0,0]=4 11448 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCN(C)C 1458a_100011215009_100000695564 [0,2,0,0,0,0|2,0,0]=4 11449 B16R1.19729 C=Cc1cccc(c1)C(=O)CCOC(C)C 1458a_100011215009_100000211751 [0,2,0,0,0,0|2,0,0]=4 11450 B16R1.19729 C=Cc1cccc(c1)C(=O)CCSC(C)C 1458a_100011215009_100000730970 [0,2,0,0,0,0|2,0,0]=4 11451 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100011215009 [0,2,0,0,0,0|1,0,0]=3 11452 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100011215009 [0,2,0,0,0,0|1,0,0]=3 11453 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100011215009 [0,2,0,0,0,0|1,0,0]=3 11454 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100011215009 [0,2,0,0,0,0|1,0,0]=3 11455 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100011215009 [0,2,0,0,0,0|2,0,0]=4 11456 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100011215009 [0,2,0,0,0,0|2,0,0]=4 11457 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100011215009 [0,2,0,0,0,0|2,0,0]=4 11458 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100011215009 [0,2,0,0,0,0|2,0,0]=4 11459 B16R1.19729 C=Cc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100011215009 [0,2,0,0,0,0|2,0,0]=4 11460 B16R1.19729 CC(C)CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100011214892 [0,2,0,0,0,0|1,0,0]=3 11461 B16R1.19729 CC(C)CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100011214892 [0,2,0,0,0,0|1,0,0]=3 11462 B16R1.19729 CC(C)CCNC(=O)c1cccc(c1)C#N 11a_100000210545_100000183950 [0,2,0,0,0,0|1,0,0]=3 11463 B16R1.19729 CC(C)CCNC(=O)c1cccc(c1)C#N 1626a_100000210545_100000183950 [0,2,0,0,0,0|1,0,0]=3 11464 B16R1.19729 CC(C)CCNC(=O)c1cccc(c1)C#N 240690a_100000210545_100000183950 [0,2,0,0,0,0|1,0,0]=3 11465 B16R1.19729 CC(C)CCNC(=O)c1cccc(c1)C#N 527a_100000210545_100000183950 [0,2,0,0,0,0|1,0,0]=3 11466 B16R1.19729 CC(C)CCNC(=O)c1cccc(c1)CO 240690a_100000210545_100000746274 [0,2,0,0,0,0|1,0,0]=3 11467 B16R1.19729 CC(C)CNCC(=O)c1cccc(c1)C#N 2230a_100000210953_100000751541 [0,2,0,0,0,0|2,0,0]=4 11468 B16R1.19729 CC(C)CNCC(=O)c1cccc(c1)C#N 34a_100000210953_100000751541 [0,2,0,0,0,0|2,0,0]=4 11469 B16R1.19729 CC(C)CNNC(=O)c1cccc(c1)C#N 22a_100000696102_100000183950 [0,2,0,0,0,0|2,0,0]=4 11470 B16R1.19729 CC(C)CNNC(=O)c1cccc(c1)CO 22a_100000696102_100000746274 [0,2,0,0,0,0|2,0,0]=4 11471 B16R1.19729 CC(C)COCC(=O)c1cccc(c1)C#N 34a_100000210257_100000751541 [0,2,0,0,0,0|2,0,0]=4 11472 B16R1.19729 CC(C)CSCC(=O)c1cccc(c1)C#N 62a_100000210624_100000751541 [0,2,0,0,0,0|2,0,0]=4 11473 B16R1.19729 CC(C)OCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000211751 [0,2,0,0,0,0|2,0,0]=4 11474 B16R1.19729 CC(C)OCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000211751 [0,2,0,0,0,0|2,0,0]=4 11475 B16R1.19729 CC(C)SCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000730970 [0,2,0,0,0,0|2,0,0]=4 11476 B16R1.19729 CC(C)SCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000730970 [0,2,0,0,0,0|2,0,0]=4 11477 B16R1.19729 CC(O)CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_200000718107 [0,2,0,0,0,0|2,0,0]=4 11478 B16R1.19729 CC(O)CCCC(=O)c1cccc(c1)CO 1458a_100000746274_200000718107 [0,2,0,0,0,0|2,0,0]=4 11479 B16R1.19729 CC(O)CCNC(=O)c1cccc(c1)C#N 240690a_200000755665_100000183950 [0,2,0,0,0,0|2,0,0]=4 11480 B16R1.19729 CC(O)CCNC(=O)c1cccc(c1)C#N 527a_200000755665_100000183950 [0,2,0,0,0,0|2,0,0]=4 11481 B16R1.19729 CC(O)CCNC(=O)c1cccc(c1)CO 240690a_200000755665_100000746274 [0,2,0,0,0,0|2,0,0]=4 11482 B16R1.19729 CCc1cccc(c1)C(=O)CCCC(C)C 1458a_100011933908_100011214892 [0,2,0,0,0,0|1,0,0]=3 11483 B16R1.19729 CCc1cccc(c1)C(=O)CCCC(C)O 1458a_100011933908_200000718107 [0,2,0,0,0,0|2,0,0]=4 11484 B16R1.19729 CCc1cccc(c1)C(=O)CCCN(C)C 1458a_100011933908_100000695564 [0,2,0,0,0,0|2,0,0]=4 11485 B16R1.19729 CCc1cccc(c1)C(=O)CCOC(C)C 1458a_100011933908_100000211751 [0,2,0,0,0,0|2,0,0]=4 11486 B16R1.19729 CCc1cccc(c1)C(=O)CCSC(C)C 1458a_100011933908_100000730970 [0,2,0,0,0,0|2,0,0]=4 11487 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100011933908 [0,2,0,0,0,0|1,0,0]=3 11488 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100011933908 [0,2,0,0,0,0|1,0,0]=3 11489 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100011933908 [0,2,0,0,0,0|1,0,0]=3 11490 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100011933908 [0,2,0,0,0,0|1,0,0]=3 11491 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100011933908 [0,2,0,0,0,0|2,0,0]=4 11492 B16R1.19729 CCc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100011933908 [0,2,0,0,0,0|2,0,0]=4 11493 B16R1.19729 CCc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100011933908 [0,2,0,0,0,0|2,0,0]=4 11494 B16R1.19729 CCc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100011933908 [0,2,0,0,0,0|2,0,0]=4 11495 B16R1.19729 CCc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100011933908 [0,2,0,0,0,0|2,0,0]=4 11496 B16R1.19729 CN(C)CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000695564 [0,2,0,0,0,0|2,0,0]=4 11497 B16R1.19729 CN(C)CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000695564 [0,2,0,0,0,0|2,0,0]=4 11498 B16R1.19729 CN(C)CCNC(=O)c1cccc(c1)C#N 2230a_100102631434_100011445461 [0,2,0,0,0,0|2,0,0]=4 11499 B16R1.19729 CN(C)CCNC(=O)c1cccc(c1)C#N 240690a_100000210585_100000183950 [0,2,0,0,0,0|2,0,0]=4 11500 B16R1.19729 CN(C)CCNC(=O)c1cccc(c1)C#N 269982a_100102631434_100011445461 [0,2,0,0,0,0|2,0,0]=4 11501 B16R1.19729 CN(C)CCNC(=O)c1cccc(c1)C#N 527a_100000210585_100000183950 [0,2,0,0,0,0|2,0,0]=4 11502 B16R1.19729 CN(C)CCNC(=O)c1cccc(c1)CO 240690a_100000210585_100000746274 [0,2,0,0,0,0|2,0,0]=4 11503 B16R1.19729 COc1cccc(c1)C(=O)CCCC(C)C 1458a_100000188888_100011214892 [0,2,0,0,0,0|1,0,0]=3 11504 B16R1.19729 COc1cccc(c1)C(=O)CCCC(C)O 1458a_100000188888_200000718107 [0,2,0,0,0,0|2,0,0]=4 11505 B16R1.19729 COc1cccc(c1)C(=O)CCCN(C)C 1458a_100000188888_100000695564 [0,2,0,0,0,0|2,0,0]=4 11506 B16R1.19729 COc1cccc(c1)C(=O)CCOC(C)C 1458a_100000188888_100000211751 [0,2,0,0,0,0|2,0,0]=4 11507 B16R1.19729 COc1cccc(c1)C(=O)CCSC(C)C 1458a_100000188888_100000730970 [0,2,0,0,0,0|2,0,0]=4 11508 B16R1.19729 COc1cccc(c1)C(=O)CNCC(C)C 34a_100000210953_100000211451 [0,2,0,0,0,0|2,0,0]=4 11509 B16R1.19729 COc1cccc(c1)C(=O)COCC(C)C 34a_100000210257_100000211451 [0,2,0,0,0,0|2,0,0]=4 11510 B16R1.19729 COc1cccc(c1)C(=O)CSCC(C)C 62a_100000210624_100000211451 [0,2,0,0,0,0|2,0,0]=4 11511 B16R1.19729 COc1cccc(c1)C(=O)CSCC(C)C 62a_100000211451_100000210760 [0,2,0,0,0,0|2,0,0]=4 11512 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100000188888 [0,2,0,0,0,0|1,0,0]=3 11513 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100000188888 [0,2,0,0,0,0|1,0,0]=3 11514 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100000188888 [0,2,0,0,0,0|1,0,0]=3 11515 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100000188888 [0,2,0,0,0,0|1,0,0]=3 11516 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100000188888 [0,2,0,0,0,0|2,0,0]=4 11517 B16R1.19729 COc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100000188888 [0,2,0,0,0,0|2,0,0]=4 11518 B16R1.19729 COc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100000188888 [0,2,0,0,0,0|2,0,0]=4 11519 B16R1.19729 COc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100000188888 [0,2,0,0,0,0|2,0,0]=4 11520 B16R1.19729 COc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100000188888 [0,2,0,0,0,0|2,0,0]=4 11521 B16R1.19729 COc1cccc(c1)C(C)OCCC(C)C 34a_100000246466_100000210312 [0,2,0,0,0,0|1,0,1]=4 11522 B16R1.19729 COc1cccc(c1)C(C)OCCC(C)C 7a_100000246466_100000210626 [0,2,0,0,0,0|1,0,1]=4 11523 B16R1.19729 CSc1cccc(c1)C(=O)CCCC(C)C 1458a_100011217804_100011214892 [0,2,0,0,0,0|1,0,0]=3 11524 B16R1.19729 CSc1cccc(c1)C(=O)CCCC(C)O 1458a_100011217804_200000718107 [0,2,0,0,0,0|2,0,0]=4 11525 B16R1.19729 CSc1cccc(c1)C(=O)CCCN(C)C 1458a_100011217804_100000695564 [0,2,0,0,0,0|2,0,0]=4 11526 B16R1.19729 CSc1cccc(c1)C(=O)CCOC(C)C 1458a_100011217804_100000211751 [0,2,0,0,0,0|2,0,0]=4 11527 B16R1.19729 CSc1cccc(c1)C(=O)CCSC(C)C 1458a_100011217804_100000730970 [0,2,0,0,0,0|2,0,0]=4 11528 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100011217804 [0,2,0,0,0,0|1,0,0]=3 11529 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100011217804 [0,2,0,0,0,0|1,0,0]=3 11530 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100011217804 [0,2,0,0,0,0|1,0,0]=3 11531 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100011217804 [0,2,0,0,0,0|1,0,0]=3 11532 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100011217804 [0,2,0,0,0,0|2,0,0]=4 11533 B16R1.19729 CSc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100011217804 [0,2,0,0,0,0|2,0,0]=4 11534 B16R1.19729 CSc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100011217804 [0,2,0,0,0,0|2,0,0]=4 11535 B16R1.19729 CSc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100011217804 [0,2,0,0,0,0|2,0,0]=4 11536 B16R1.19729 CSc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100011217804 [0,2,0,0,0,0|2,0,0]=4 11537 B14R1.76 C=Cc1cccc(c1)NCCC(C)C 34a_100011827668_100000210312 [0,0,1,1,0,0|2,0,0]=4 11538 B14R1.76 C=Cc1cccc(c1)OCCC(C)C 34a_100011309434_100000210312 [0,0,1,1,0,0|1,0,0]=3 11539 B14R1.76 C=Cc1cccc(c1)OCCC(C)C 7a_100011309434_100000210626 [0,0,1,1,0,0|1,0,0]=3 11540 B14R1.76 C=Cc1cccc(c1)OCCC(C)O 34a_100011309434_100012276601 [0,0,1,1,0,0|2,0,0]=4 11541 B14R1.76 C=Cc1cccc(c1)OCCC(C)O 7a_100011309434_100012276601 [0,0,1,1,0,0|2,0,0]=4 11542 B14R1.76 C=Cc1cccc(c1)OCCN(C)C 271570a_100011290941_100138557206 [0,0,1,1,0,0|2,0,0]=4 11543 B14R1.76 C=Cc1cccc(c1)OCCN(C)C 7a_100011309434_100000755713 [0,0,1,1,0,0|2,0,0]=4 11544 B14R1.76 C=Cc1cccc(c1)OCOC(C)C 34a_100011309434_100000709892 [0,0,1,1,0,0|2,0,0]=4 11545 B14R1.76 C=Cc1cccc(c1)SCCC(C)C 62a_100000210312_100011215241 [0,0,1,1,0,0|1,1,0]=4 11546 B14R1.76 C=Cc1cccc(c1)SCCC(C)C 62a_100011215241_100000210312 [0,0,1,1,0,0|1,1,0]=4 11547 B14R1.329 CC(C)CCOc1cccccc1=O 34a_100000036025_100000210312 [0,0,1,1,0,0|2,0,0]=4 11548 B14R1.329 CC(C)CCOc1cccccc1=O 7a_100000036025_100000210626 [0,0,1,1,0,0|2,0,0]=4 11549 B14R1.96 C=Cc1ccccc1NCCC(C)C 34a_100012022501_100000210312 [0,0,1,1,0,0|2,0,0]=4 11550 B14R1.96 C=Cc1ccccc1OCCN(C)C 271570a_100011290941_100102946404 [0,0,1,1,0,0|2,0,0]=4 11551 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100000210312_100011218376 [0,0,1,1,0,0|1,1,0]=4 11552 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100011218376_100000210312 [0,0,1,1,0,0|1,1,0]=4 11553 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [1,0,0,1,0,0|1,0,0]=3 11554 B14R2.114 O=C(c1ccccc1)C2CCOC2 1458a_100000185807_100000690089 [1,0,0,1,0,0|2,0,0]=4 11555 B14R2.114 O=C(c1ccccc1)N2CCCC2 240690a_100000188435_100000185807 [1,0,0,1,0,0|1,0,0]=3 11556 B14R2.114 O=C(c1ccccc1)N2CCCC2 527a_100000188435_100000185807 [1,0,0,1,0,0|1,0,0]=3 11557 B14R2.114 O=C(c1ccccc1)N2CCSC2 11a_100011215254_100000185807 [1,0,0,1,0,0|2,0,0]=4 11558 B14R2.114 O=C(c1ccccc1)N2CCSC2 240690a_100011215254_100000185807 [1,0,0,1,0,0|2,0,0]=4 11559 B14R2.114 O=C(c1ccccc1)N2CCSC2 527a_100011215254_100000185807 [1,0,0,1,0,0|2,0,0]=4 11560 B14R2.335 CC1CCN1C(=O)c2ccccc2 11a_100000755817_100000185807 [1,0,0,1,0,0|1,0,0]=3 11561 B14R2.335 CC1CCN1C(=O)c2ccccc2 240690a_100000755817_100000185807 [1,0,0,1,0,0|1,0,0]=3 11562 B14R2.335 CC1CCN1C(=O)c2ccccc2 527a_100000755817_100000185807 [1,0,0,1,0,0|1,0,0]=3 11563 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 240690a_100015190264_100000185807 [1,0,0,1,0,0|2,0,0]=4 11564 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 527a_100015190264_100000185807 [1,0,0,1,0,0|2,0,0]=4 11565 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 11a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 11566 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 1626a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 11567 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 240690a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 11568 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 527a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 11569 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [1,0,0,1,0,0|2,0,0]=4 11570 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [1,0,0,1,0,0|1,0,0]=3 11571 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [1,0,0,1,0,0|2,0,0]=4 11572 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [1,0,0,1,0,0|2,0,0]=4 11573 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [1,0,0,1,0,0|1,0,0]=3 11574 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [1,0,0,1,0,0|2,0,0]=4 11575 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [1,0,0,1,0,0|1,0,1]=4 11576 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [1,0,0,1,0,0|1,0,1]=4 11577 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [1,0,0,1,0,0|1,0,1]=4 11578 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [1,0,0,1,0,0|1,0,0]=3 11579 B14R2.792 O=C(CCC1CO1)c2ccccc2 1458a_100000185807_100000732470 [1,0,0,1,0,0|2,0,0]=4 11580 B14R2.792 O=C(CSC1CC1)c2ccccc2 62a_100000211460_100000211595 [1,0,0,1,0,0|2,0,0]=4 11581 B14R2.792 O=C(NCC1CC1)c2ccccc2 11a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 11582 B14R2.792 O=C(NCC1CC1)c2ccccc2 1626a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 11583 B14R2.792 O=C(NCC1CC1)c2ccccc2 240690a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 11584 B14R2.792 O=C(NCC1CC1)c2ccccc2 527a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 11585 B14R2.792 O=C(NNC1CC1)c2ccccc2 22a_100000701032_100000185807 [1,0,0,1,0,0|2,0,0]=4 11586 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [1,0,0,1,0,0|1,0,1]=4 11587 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [1,0,0,1,0,0|1,0,1]=4 11588 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [1,0,0,1,0,0|1,0,0]=3 11589 B14R2.794 O=C(CC1CCO1)c2ccccc2 1458a_100000185807_100000103362 [1,0,0,1,0,0|2,0,0]=4 11590 B14R2.794 O=C(CC1COC1)c2ccccc2 1458a_100000185807_100010264016 [1,0,0,1,0,0|2,0,0]=4 11591 B14R2.794 O=C(CN1CCC1)c2ccccc2 269982a_100000754969_100000211460 [1,0,0,1,0,0|2,0,0]=4 11592 B14R2.794 O=C(NC1CCC1)c2ccccc2 11a_100000749019_100000185807 [1,0,0,1,0,0|1,0,0]=3 11593 B14R2.794 O=C(NC1CCC1)c2ccccc2 1626a_100000749019_100000185807 [1,0,0,1,0,0|1,0,0]=3 11594 B14R2.794 O=C(NC1CCC1)c2ccccc2 240690a_100000749019_100000185807 [1,0,0,1,0,0|1,0,0]=3 11595 B14R2.794 O=C(NC1CCC1)c2ccccc2 527a_100000749019_100000185807 [1,0,0,1,0,0|1,0,0]=3 11596 B14R2.794 O=C(NC1COC1)c2ccccc2 11a_100016991112_100000185807 [1,0,0,1,0,0|2,0,0]=4 11597 B14R2.794 O=C(NC1COC1)c2ccccc2 1626a_100016991112_100000185807 [1,0,0,1,0,0|2,0,0]=4 11598 B14R2.794 O=C(NC1COC1)c2ccccc2 240690a_100016991112_100000185807 [1,0,0,1,0,0|2,0,0]=4 11599 B14R2.794 O=C(NC1COC1)c2ccccc2 527a_100016991112_100000185807 [1,0,0,1,0,0|2,0,0]=4 11600 B14R2.794 O=C(NC1CSC1)c2ccccc2 11a_100016994217_100000185807 [1,0,0,1,0,0|2,0,0]=4 11601 B14R2.794 O=C(NC1CSC1)c2ccccc2 1626a_100016994217_100000185807 [1,0,0,1,0,0|2,0,0]=4 11602 B14R2.794 O=C(NC1CSC1)c2ccccc2 240690a_100016994217_100000185807 [1,0,0,1,0,0|2,0,0]=4 11603 B14R2.794 O=C(NC1CSC1)c2ccccc2 527a_100016994217_100000185807 [1,0,0,1,0,0|2,0,0]=4 11604 B14R2.1131 COC1CCC(=O)c2c1cccc2 7a_100000100557_200000210301 [1,0,0,1,0,0|2,0,0]=4 11605 B14R2.1131 [13CH3]OC1CCC(=O)c2c1cccc2 7a_100000100557_200025704644 [1,0,0,1,0,0|2,0,0]=4 11606 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [1,0,0,1,0,0|2,0,0]=4 11607 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [1,0,0,1,0,0|1,0,1]=4 11608 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [1,0,0,1,0,0|1,0,1]=4 11609 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [1,0,0,1,0,0|1,0,1]=4 11610 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [1,0,0,1,0,0|1,0,1]=4 11611 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [1,0,0,1,0,0|1,0,1]=4 11612 B14R2.49 CC1CC1COCc2ccccc2 34a_100000744939_100015291786 [1,0,0,1,0,0|0,0,1]=3 11613 B14R2.49 CC1CC1COCc2ccccc2 7a_100000744939_100000211182 [1,0,0,1,0,0|0,0,1]=3 11614 B14R2.49 CC1CC1COCc2ccccn2 34a_100000744939_100000721315 [1,0,0,1,0,0|1,0,1]=4 11615 B14R2.49 CC1CC1COCc2ccccn2 7a_100000744939_100000721315 [1,0,0,1,0,0|1,0,1]=4 11616 B14R2.49 CC1CC1COCc2cccnc2 34a_100000744939_100000733263 [1,0,0,1,0,0|1,0,1]=4 11617 B14R2.49 CC1CC1COCc2cccnc2 7a_100000744939_100000741622 [1,0,0,1,0,0|1,0,1]=4 11618 B14R2.49 CC1CC1COCc2ccncc2 7a_100000744939_100015193705 [1,0,0,1,0,0|1,0,1]=4 11619 B14R2.436 CN1CC(C1)OCc2ccccc2 269982a_100000692158_200000210301 [1,0,0,1,0,0|1,0,1]=4 11620 B14R2.436 CN1CC(C1)OCc2ccccc2 34a_100000692158_200000210301 [1,0,0,1,0,0|1,0,1]=4 11621 B14R2.436 [13CH3]N1CC(C1)OCc2ccccc2 269982a_100000692158_200025704644 [1,0,0,1,0,0|1,0,1]=4 11622 B14R2.436 [13CH3]N1CC(C1)OCc2ccccc2 34a_100000692158_200025704644 [1,0,0,1,0,0|1,0,1]=4 11623 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100000212008_100016265936 [1,0,0,1,0,0|2,0,0]=4 11624 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100020603302_100000211595 [1,0,0,1,0,0|2,0,0]=4 11625 B14R2.3018 C(=C/c1ccccc1)\COC2CC2 34a_100000210256_100000211595 [1,0,0,1,0,0|2,0,0]=4 11626 B14R2.3018 C(=C/c1ccccc1)\CSC2CC2 62a_100016265936_100000211595 [1,0,0,1,0,0|2,0,0]=4 11627 B14R2.3018 C(=NNCC1CC1)c2ccccc2 4a_100000736359_100015611070 [1,0,0,1,0,0|2,0,0]=4 11628 B14R2.3018 c1cc(ccn1)COCCC2CC2 7a_100000754188_100015193705 [1,0,0,1,0,0|1,0,1]=4 11629 B14R2.3018 c1ccc(cc1)CNCCC2CC2 207a_100000764129_100015611070 [1,0,0,1,0,0|1,0,1]=4 11630 B14R2.3018 c1ccc(cc1)CNCCC2CC2 2230a_100015324214_100000694398 [1,0,0,1,0,0|1,0,1]=4 11631 B14R2.3018 c1ccc(cc1)CNCCC2CC2 270004a_100000764129_100015611070 [1,0,0,1,0,0|1,0,1]=4 11632 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100000764129_100015291786 [1,0,0,1,0,0|1,0,1]=4 11633 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100015324214_100000694398 [1,0,0,1,0,0|1,0,1]=4 11634 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000210790_100000694398 [1,0,0,1,0,0|0,0,1]=3 11635 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000754188_100015291786 [1,0,0,1,0,0|0,0,1]=3 11636 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000210790_100000764125 [1,0,0,1,0,0|0,0,1]=3 11637 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000754188_100000211182 [1,0,0,1,0,0|0,0,1]=3 11638 B14R2.3018 c1ccc(cc1)COCCC2CO2 34a_100000210790_100000732470 [1,0,0,1,0,0|1,0,1]=4 11639 B14R2.3018 c1ccc(cc1)COCCC2CO2 7a_100000210790_100000732470 [1,0,0,1,0,0|1,0,1]=4 11640 B14R2.3018 c1ccc(cc1)COCC[C@@H]2CO2 34a_100009820653_100015291786 [1,0,0,1,0,0|1,0,1]=4 11641 B14R2.3018 c1ccc(cc1)COCNC2CC2 34a_100000212008_100000763385 [1,0,0,1,0,0|1,0,1]=4 11642 B14R2.3018 c1ccc(cc1)COCSC2CC2 62a_100000763385_100000211595 [1,0,0,1,0,0|1,0,1]=4 11643 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000211182_100000764125 [1,0,0,1,0,0|0,1,1]=4 11644 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000764125_100015291786 [1,0,0,1,0,0|0,1,1]=4 11645 B14R2.3018 c1ccc(nc1)COCCC2CC2 34a_100000754188_100000721315 [1,0,0,1,0,0|1,0,1]=4 11646 B14R2.3018 c1ccc(nc1)COCCC2CC2 7a_100000754188_100000721315 [1,0,0,1,0,0|1,0,1]=4 11647 B14R2.3018 c1cncc(c1)COCCC2CC2 34a_100000754188_100000733263 [1,0,0,1,0,0|1,0,1]=4 11648 B14R2.3018 c1cncc(c1)COCCC2CC2 7a_100000754188_100000741622 [1,0,0,1,0,0|1,0,1]=4 11649 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,0,0,1,1,0|1,0,0]=3 11650 B14R2.68 CC1CC=C(CC1)c2ccccn2 271570a_100010240233_100011216584 [0,0,0,1,1,0|2,0,0]=4 11651 B14R2.68 CC1CC=C(CC1)c2cccnc2 271570a_100010240233_100000752921 [0,0,0,1,1,0|2,0,0]=4 11652 B14R2.68 CC1CC=C(CC1)c2ccncc2 271570a_100010240233_100000035832 [0,0,0,1,1,0|2,0,0]=4 11653 B14R2.68 CN1CC=C(CC1)c2ccccc2 2230a_100000007107_200000210301 [0,0,0,1,1,0|2,0,0]=4 11654 B14R2.68 CN1CC=C(CC1)c2ccccc2 269982a_100000007107_200000210301 [0,0,0,1,1,0|2,0,0]=4 11655 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [0,0,0,1,1,0|2,0,0]=4 11656 B14R2.68 [13CH3]N1CC=C(CC1)c2ccccc2 2230a_100000007107_200025704644 [0,0,0,1,1,0|2,0,0]=4 11657 B14R2.68 [13CH3]N1CC=C(CC1)c2ccccc2 269982a_100000007107_200025704644 [0,0,0,1,1,0|2,0,0]=4 11658 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 11a_100000702820_100000185807 [0,0,0,1,1,0|1,0,0]=3 11659 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 240690a_100000702820_100000185807 [0,0,0,1,1,0|1,0,0]=3 11660 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 527a_100000702820_100000185807 [0,0,0,1,1,0|1,0,0]=3 11661 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 11a_100000690557_100000185807 [0,0,0,1,1,0|2,0,0]=4 11662 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 240690a_100000690557_100000185807 [0,0,0,1,1,0|2,0,0]=4 11663 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 527a_100000690557_100000185807 [0,0,0,1,1,0|2,0,0]=4 11664 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 11a_100000749847_100000185807 [0,0,0,1,1,0|2,0,0]=4 11665 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 240690a_100000749847_100000185807 [0,0,0,1,1,0|2,0,0]=4 11666 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 527a_100000749847_100000185807 [0,0,0,1,1,0|2,0,0]=4 11667 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,0,0,1,1,0|1,0,1]=4 11668 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 2230a_100102631434_100010208147 [0,0,0,1,1,0|1,0,0]=3 11669 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 269982a_100102631434_100010208147 [0,0,0,1,1,0|1,0,0]=3 11670 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [0,0,0,1,1,0|1,0,0]=3 11671 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [0,0,0,1,1,0|1,0,0]=3 11672 B16R2.86 CC(C)N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210206 [0,0,0,1,0,1|1,0,1]=4 11673 B16R2.86 CC(C)N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000210206 [0,0,0,1,0,1|1,0,1]=4 11674 B16R2.86 CC(C)N1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210206 [0,0,0,1,0,1|1,0,1]=4 11675 B16R2.157 CC(C)Cc1nc(no1)c2ccccc2 270196a_100000210280_100000210554 [0,0,0,1,0,1|1,0,1]=4 11676 B16R2.157 CC(C)Cc1noc(n1)c2ccccc2 270196a_100000210173_100000185807 [0,0,0,1,0,1|1,0,1]=4 11677 B16R2.157 CN(C)CC1CC(=NO1)c2ccccc2 269982a_100102631434_100009817038 [0,0,0,1,0,1|2,0,0]=4 11678 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 11a_100000725631_100000185807 [0,0,0,1,0,1|1,0,1]=4 11679 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 1626a_100000725631_100000185807 [0,0,0,1,0,1|1,0,1]=4 11680 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 240690a_100000725631_100000185807 [0,0,0,1,0,1|1,0,1]=4 11681 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 527a_100000725631_100000185807 [0,0,0,1,0,1|1,0,1]=4 11682 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 11a_100000729577_100000185807 [0,0,0,1,0,1|1,0,0]=3 11683 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 1626a_100000729577_100000185807 [0,0,0,1,0,1|1,0,0]=3 11684 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 240690a_100000729577_100000185807 [0,0,0,1,0,1|1,0,0]=3 11685 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 527a_100000729577_100000185807 [0,0,0,1,0,1|1,0,0]=3 11686 B16R2.236 C[C@H]1CCCN(C1)C(=O)c2ccccc2 11a_100000717927_100000185807 [0,0,0,1,0,1|1,0,0]=3 11687 B16R2.236 C[C@H]1CCCN(C1)C(=O)c2ccccc2 240690a_100000717927_100000185807 [0,0,0,1,0,1|1,0,0]=3 11688 B16R2.236 C[C@H]1CCCN(C1)C(=O)c2ccccc2 527a_100000717927_100000185807 [0,0,0,1,0,1|1,0,0]=3 11689 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)F 11a_100000697950_100000185807 [0,0,0,1,0,1|2,0,0]=4 11690 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)F 1626a_100000697950_100000185807 [0,0,0,1,0,1|2,0,0]=4 11691 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)F 240690a_100000697950_100000185807 [0,0,0,1,0,1|2,0,0]=4 11692 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)F 527a_100000697950_100000185807 [0,0,0,1,0,1|2,0,0]=4 11693 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)O 240690a_100000211013_100000185807 [0,0,0,1,0,1|2,0,0]=4 11694 B16R2.236 O=C(c1ccccc1)N2CCCC(C2)O 527a_100000211013_100000185807 [0,0,0,1,0,1|2,0,0]=4 11695 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 11a_100000688207_100000185807 [0,0,0,1,0,1|2,0,0]=4 11696 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 240690a_100000688207_100000185807 [0,0,0,1,0,1|2,0,0]=4 11697 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 527a_100000688207_100000185807 [0,0,0,1,0,1|2,0,0]=4 11698 B16R2.2829 CC1CCC(C1)OC(C)c2ccccc2 34a_100000698185_100000211855 [0,0,0,1,0,1|1,0,1]=4 11699 B16R2.2829 CN1CCC(C1)CC(=O)c2ccccc2 1458a_100000185807_200000690779 [0,0,0,1,0,1|2,0,0]=4 11700 B16R2.2829 CN1CCC(C1)NC(=O)c2ccccc2 1626a_100000744687_100000185807 [0,0,0,1,0,1|2,0,0]=4 11701 B16R2.2829 CN1CCC(C1)NC(=O)c2ccccc2 240690a_100000744687_100000185807 [0,0,0,1,0,1|2,0,0]=4 11702 B16R2.2829 CN1CCC(C1)NC(=O)c2ccccc2 527a_100000744687_100000185807 [0,0,0,1,0,1|2,0,0]=4 11703 B16R2.2829 C[C@@H]1CCN(C1)CC(=O)c2ccccc2 269982a_100016987628_100000211460 [0,0,0,1,0,1|1,0,0]=3 11704 B16R2.2829 C[C@@H]1CCN(C1)CC(=O)c2ccccn2 269982a_100016987628_100000027445 [0,0,0,1,0,1|2,0,0]=4 11705 B16R2.2829 C[C@@H]1CCN(C1)CC(=O)c2ccccn2 34a_100016987628_100000027445 [0,0,0,1,0,1|2,0,0]=4 11706 B16R2.2829 C[C@@H]1CCN(C1)CC(=O)c2cccnc2 269982a_100016987628_100000757877 [0,0,0,1,0,1|2,0,0]=4 11707 B16R2.2829 C[C@@H]1CCN(C1)CC(=O)c2ccncc2 269982a_100016987628_100000027454 [0,0,0,1,0,1|2,0,0]=4 11708 B16R2.2829 C[C@@H]1CCN(C1)CS(=O)c2ccccc2 269982a_100016987628_100000031784 [0,0,0,1,0,1|2,0,0]=4 11709 B16R2.2829 O=C(CN1CCC(C1)O)c2ccccc2 269982a_100011215560_100000211460 [0,0,0,1,0,1|2,0,0]=4 11710 B16R2.2829 O=C(CN1CC[C@@H](C1)F)c2ccccc2 269982a_100015203821_100000211460 [0,0,0,1,0,1|2,0,0]=4 11711 B16R2.2829 O=C(N[C@H]1CC[C@H](C1)O)c2ccccc2 1626a_100015195300_100000185807 [0,0,0,1,0,1|2,0,0]=4 11712 B16R2.2829 O=C(N[C@H]1CC[C@H](C1)O)c2ccccc2 240690a_100015195300_100000185807 [0,0,0,1,0,1|2,0,0]=4 11713 B16R2.3189 CC(COCC1CC1C)c2ccccc2 34a_100000744939_100000756946 [0,0,0,1,0,1|1,0,1]=4 11714 B16R2.3189 CC(COCC1CC1C)c2ccccc2 7a_100000744939_100000756946 [0,0,0,1,0,1|1,0,1]=4 11715 B16R2.3189 CC1CC1COCC(=O)c2ccccc2 7a_100000744939_100000211460 [0,0,0,1,0,1|0,0,0]=2 11716 B16R2.3189 CC1CC1COCC(=O)c2ccccn2 34a_100000744939_100000027445 [0,0,0,1,0,1|1,0,0]=3 11717 B16R2.3189 CC1CC1COCC(=O)c2ccccn2 7a_100000744939_100000027445 [0,0,0,1,0,1|1,0,0]=3 11718 B16R2.3189 CC1CC1COCC(=O)c2ccncc2 7a_100000744939_100015248511 [0,0,0,1,0,1|1,0,0]=3 11719 B16R2.3189 CC1CC1COCC(O)c2ccccc2 34a_100000744939_100000185958 [0,0,0,1,0,1|0,0,2]=4 11720 B16R2.3189 CC1CC1COCC(O)c2ccccc2 7a_100000744939_100000185958 [0,0,0,1,0,1|0,0,2]=4 11721 B16R2.3189 CC1CC1COC[C@@H](O)c2ccccc2 34a_100000744939_100011933945 [0,0,0,1,0,1|0,0,2]=4 11722 B16R2.3189 CC1CC1COC[C@@H](O)c2ccccc2 7a_100000744939_100011933945 [0,0,0,1,0,1|0,0,2]=4 11723 B16R2.3189 O=C(CCN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000750707 [0,0,0,1,0,1|2,0,0]=4 11724 B16R2.3189 O=C(CCN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000750707 [0,0,0,1,0,1|2,0,0]=4 11725 B16R2.3326 CC1CN(C1)CCC(=O)c2ccccc2 2230a_100000702820_100000750707 [0,0,0,1,0,1|1,0,0]=3 11726 B16R2.3326 CC1CN(C1)CCC(=O)c2ccccc2 269982a_100000702820_100000750707 [0,0,0,1,0,1|1,0,0]=3 11727 B16R2.3326 CC1CN(C1)CCS(=O)c2ccccc2 2230a_100000702820_100000740319 [0,0,0,1,0,1|2,0,0]=4 11728 B16R2.3326 CC1CN(C1)CCS(=O)c2ccccc2 269982a_100000702820_100000740319 [0,0,0,1,0,1|2,0,0]=4 11729 B16R2.3326 CC1CN(C1)COC(=O)c2ccccc2 269982a_100000702820_100000073877 [0,0,0,1,0,1|0,0,0]=2 11730 B16R2.3326 CN1CC(C1)CNC(=O)c2ccccc2 240690a_100000723568_100000185807 [0,0,0,1,0,1|2,0,0]=4 11731 B16R2.3326 O=C(CCN1CC(C1)F)c2ccccc2 2230a_100000690557_100000750707 [0,0,0,1,0,1|2,0,0]=4 11732 B16R2.3326 O=C(CCN1CC(C1)F)c2ccccc2 269982a_100000690557_100000750707 [0,0,0,1,0,1|2,0,0]=4 11733 B16R2.3326 O=C(CCN1CC(C1)O)c2ccccc2 269982a_100000749847_100000750707 [0,0,0,1,0,1|2,0,0]=4 11734 B16R2.3326 O=C(NCC1CC(C1)O)c2ccccc2 11a_100016992100_100000185807 [0,0,0,1,0,1|2,0,0]=4 11735 B16R2.3326 O=C(NCC1CC(C1)O)c2ccccc2 240690a_100016992100_100000185807 [0,0,0,1,0,1|2,0,0]=4 11736 B16R2.3326 O=C(OCN1CC(C1)F)c2ccccc2 269982a_100000690557_100000073877 [0,0,0,1,0,1|1,0,0]=3 11737 B16R2.3326 O=C(OCN1CC(C1)O)c2ccccc2 269982a_100000749847_100000073877 [0,0,0,1,0,1|1,0,0]=3 11738 B16R2.6779 CC1(CCCN1C(=O)c2ccccc2)C 11a_100000761399_100000185807 [0,0,0,1,0,1|1,0,0]=3 11739 B16R2.6779 CC1(CCCN1C(=O)c2ccccc2)C 1626a_100000761399_100000185807 [0,0,0,1,0,1|1,0,0]=3 11740 B16R2.6779 CC1(CCCN1C(=O)c2ccccc2)C 240690a_100000761399_100000185807 [0,0,0,1,0,1|1,0,0]=3 11741 B16R2.6779 CC1(CCCN1C(=O)c2ccccc2)C 527a_100000761399_100000185807 [0,0,0,1,0,1|1,0,0]=3 11742 B16R2.6779 CC1(COCN1C(=O)c2ccccc2)C 1626a_100000043020_100000185807 [0,0,0,1,0,1|1,0,0]=3 11743 B16R2.6779 CC1(COCN1C(=O)c2ccccc2)C 240690a_100000043020_100000185807 [0,0,0,1,0,1|1,0,0]=3 11744 B16R2.6779 CC1(SCCN1C(=O)c2ccccc2)C 11a_100011217261_100000185807 [0,0,0,1,0,1|1,0,0]=3 11745 B16R2.6779 CC1(SCCN1C(=O)c2ccccc2)C 1626a_100011217261_100000185807 [0,0,0,1,0,1|1,0,0]=3 11746 B16R2.6779 CC1(SCCN1C(=O)c2ccccc2)C 240690a_100011217261_100000185807 [0,0,0,1,0,1|1,0,0]=3 11747 B16R2.6779 CC1(SCCN1C(=O)c2ccccc2)C 527a_100011217261_100000185807 [0,0,0,1,0,1|1,0,0]=3 11748 B16R2.24414 CC(C)OC1CCC(=O)c2c1cccc2 7a_100000100557_100000210206 [0,0,0,1,0,1|1,0,0]=3 11749 B16R2.27749 CC(COCCC1CC1)c2ccccc2 34a_100000754188_100000756946 [0,0,0,1,0,1|1,0,1]=4 11750 B16R2.27749 CC(COCCC1CC1)c2ccccc2 34a_100011215166_100000694398 [0,0,0,1,0,1|1,0,1]=4 11751 B16R2.27749 CC(COCCC1CC1)c2ccccc2 7a_100000754188_100000756946 [0,0,0,1,0,1|1,0,1]=4 11752 B16R2.27749 CC(COCCC1CC1)c2ccccc2 7a_100011215166_100000764125 [0,0,0,1,0,1|1,0,1]=4 11753 B16R2.27749 CC(OCCNC1CC1)c2ccccc2 34a_100000738766_100000211855 [0,0,0,1,0,1|1,0,1]=4 11754 B16R2.27749 N[C@H](COCCC1CC1)c2ccccc2 34a_100000751927_100000694398 [0,0,0,1,0,1|1,0,1]=4 11755 B16R2.27749 O=C(CCCSC1CC1)c2ccccc2 62a_100000211006_100000211595 [0,0,0,1,0,1|1,0,0]=3 11756 B16R2.27749 O=C(CCNCC1CC1)c2ccccc2 2230a_100000735609_100000750707 [0,0,0,1,0,1|1,0,0]=3 11757 B16R2.27749 O=C(CCSCC1CC1)c2ccccc2 62a_100000750707_100000742324 [0,0,0,1,0,1|1,0,0]=3 11758 B16R2.27749 O=C(CCSCC1CC1)c2ccccc2 62a_100000756562_100000750707 [0,0,0,1,0,1|1,0,0]=3 11759 B16R2.27749 O=C(CCSCC1CO1)c2ccccc2 62a_100000750707_102125554688 [0,0,0,1,0,1|2,0,0]=4 11760 B16R2.27749 O=C(CCSCC1CO1)c2ccccc2 62a_102125554688_100000750707 [0,0,0,1,0,1|2,0,0]=4 11761 B16R2.27749 O=C(CCSCC1CS1)c2ccccc2 62a_100000031435_100000750707 [0,0,0,1,0,1|2,0,0]=4 11762 B16R2.27749 O=C(CCSCC1CS1)c2ccccc2 62a_100000750707_100000031435 [0,0,0,1,0,1|2,0,0]=4 11763 B16R2.27749 O=C(CCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000750707 [0,0,0,1,0,1|2,0,0]=4 11764 B16R2.27749 O=C(CCSC[C@@H]1CO1)c2ccccc2 62a_100000750707_100000745022 [0,0,0,1,0,1|2,0,0]=4 11765 B16R2.27749 O=C(CNCCC1CC1)c2ccccn2 34a_100000764129_100000027445 [0,0,0,1,0,1|2,0,0]=4 11766 B16R2.27749 O=C(COCCC1CC1)c2ccccc2 7a_100000754188_100000211460 [0,0,0,1,0,1|0,0,0]=2 11767 B16R2.27749 O=C(COCCC1CC1)c2ccccn2 34a_100000754188_100000027445 [0,0,0,1,0,1|1,0,0]=3 11768 B16R2.27749 O=C(COCCC1CC1)c2ccccn2 7a_100000754188_100000027445 [0,0,0,1,0,1|1,0,0]=3 11769 B16R2.27749 O=C(COCCC1CC1)c2ccncc2 7a_100000754188_100015248511 [0,0,0,1,0,1|1,0,0]=3 11770 B16R2.27749 O=C(COCC[C@@H]1CO1)c2ccccn2 34a_100009820653_100000027445 [0,0,0,1,0,1|2,0,0]=4 11771 B16R2.27749 O=C(CSCCC1CC1)c2ccccc2 62a_100000211460_100000764125 [0,0,0,1,0,1|0,1,0]=3 11772 B16R2.27749 O=C(CSCCC1CC1)c2ccccc2 62a_100000764125_100000211460 [0,0,0,1,0,1|0,1,0]=3 11773 B16R2.27749 O=C(CSCCC1CC1)c2ccccn2 62a_100000027445_100000764125 [0,0,0,1,0,1|1,1,0]=4 11774 B16R2.27749 O=C(CSCCC1CC1)c2ccccn2 62a_100000764125_100000027445 [0,0,0,1,0,1|1,1,0]=4 11775 B16R2.27749 O=C(CSCCC1CC1)c2cccnc2 62a_100000757877_100000764125 [0,0,0,1,0,1|1,1,0]=4 11776 B16R2.27749 O=C(CSCCC1CC1)c2cccnc2 62a_100000764125_100000757877 [0,0,0,1,0,1|1,1,0]=4 11777 B16R2.27749 O=C(CSCCC1CC1)c2ccncc2 62a_100000027454_100000764125 [0,0,0,1,0,1|1,1,0]=4 11778 B16R2.27749 O=C(CSCCC1CC1)c2ccncc2 62a_100000764125_100000027454 [0,0,0,1,0,1|1,1,0]=4 11779 B16R2.27749 O=C(CSCCC1CO1)c2ccccc2 62a_100000211460_100000732470 [0,0,0,1,0,1|1,1,0]=4 11780 B16R2.27749 O=C(CSCCC1CO1)c2ccccc2 62a_100000732470_100000211460 [0,0,0,1,0,1|1,1,0]=4 11781 B16R2.27749 O=C(NCCOC1CC1)c2ccccc2 34a_200000158897_100000211595 [0,0,0,1,0,1|1,0,0]=3 11782 B16R2.27749 O=C(NCCSC1CC1)c2ccccc2 62a_200011215302_100000211595 [0,0,0,1,0,1|1,0,0]=3 11783 B16R2.27749 O=C(OCCNC1CC1)c2ccccc2 34a_100000212008_100009812718 [0,0,0,1,0,1|0,0,0]=2 11784 B16R2.27749 O=C(OCCSC1CC1)c2ccccc2 62a_100009812718_100000211595 [0,0,0,1,0,1|0,0,0]=2 11785 B16R2.27749 O=C(OCSCC1CC1)c2ccccc2 62a_100000073877_100000742324 [0,0,0,1,0,1|0,0,0]=2 11786 B16R2.27749 O=C(OCSCC1CC1)c2ccccc2 62a_100000756562_100000073877 [0,0,0,1,0,1|0,0,0]=2 11787 B16R2.27749 O=C(OCSCC1CO1)c2ccccc2 62a_100000073877_102125554688 [0,0,0,1,0,1|1,0,0]=3 11788 B16R2.27749 O=C(OCSCC1CO1)c2ccccc2 62a_102125554688_100000073877 [0,0,0,1,0,1|1,0,0]=3 11789 B16R2.27749 O=C(OCSCC1CS1)c2ccccc2 62a_100000031435_100000073877 [0,0,0,1,0,1|1,0,0]=3 11790 B16R2.27749 O=C(OCSCC1CS1)c2ccccc2 62a_100000073877_100000031435 [0,0,0,1,0,1|1,0,0]=3 11791 B16R2.27749 O=C(OCSC[C@@H]1CO1)c2ccccc2 62a_100000073877_100000745022 [0,0,0,1,0,1|1,0,0]=3 11792 B16R2.27749 O=C(OCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000073877 [0,0,0,1,0,1|1,0,0]=3 11793 B16R2.27749 O=S(CCNCC1CC1)c2ccccc2 2230a_100000735609_100000740319 [0,0,0,1,0,1|2,0,0]=4 11794 B16R2.27749 O=S(CCSCC1CC1)c2ccccc2 62a_100000756562_100000740319 [0,0,0,1,0,1|2,0,0]=4 11795 B16R2.27749 O=S(CSCCC1CC1)c2ccccc2 62a_100000764125_100000031784 [0,0,0,1,0,1|1,1,0]=4 11796 B16R2.27749 OC(COCCC1CC1)c2ccccc2 34a_100000754188_100000185958 [0,0,0,1,0,1|0,0,2]=4 11797 B16R2.27749 OC(COCCC1CC1)c2ccccc2 7a_100000754188_100000185958 [0,0,0,1,0,1|0,0,2]=4 11798 B16R2.27749 O[C@H](COCCC1CC1)c2ccccc2 34a_100000754188_100011933945 [0,0,0,1,0,1|0,0,2]=4 11799 B16R2.27749 O[C@H](COCCC1CC1)c2ccccc2 7a_100000754188_100011933945 [0,0,0,1,0,1|0,0,2]=4 11800 B16R2.27789 CC(OCC1CC1(C)C)c2ccccc2 34a_100000728257_100000211855 [0,0,0,1,0,1|1,0,1]=4 11801 B16R2.27789 CC(OCC1CC1(C)C)c2ccccc2 7a_100000728257_100000230085 [0,0,0,1,0,1|1,0,1]=4 11802 B16R2.27789 CC(OCC1OC1(C)C)c2ccccc2 34a_200010283642_100000211855 [0,0,0,1,0,1|1,0,1]=4 11803 B16R2.27789 CC(OCC1OC1(C)C)c2ccccc2 7a_200010283642_100000230085 [0,0,0,1,0,1|1,0,1]=4 11804 B16R2.104522 C=C(C)CSC1OC(=O)c2c1cccc2 62a_100000748629_100009813457 [0,0,0,1,0,1|0,0,2]=4 11805 B16R2.104522 CC(C)CNC1CC(=O)c2c1cccc2 2230a_100000210953_100010208147 [0,0,0,1,0,1|1,0,0]=3 11806 B16R2.104522 CC(C)CNC1OC(=O)c2c1cccc2 2230a_100000210953_100009813457 [0,0,0,1,0,1|0,0,0]=2 11807 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100000210624_100010208147 [0,0,0,1,0,1|1,0,0]=3 11808 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000210760 [0,0,0,1,0,1|1,0,0]=3 11809 B16R2.104522 CC(C)CSC1OC(=O)c2c1cccc2 62a_100000210624_100009813457 [0,0,0,1,0,1|0,0,0]=2 11810 B16R2.104522 CC(O)CNC1CC(=O)c2c1cccc2 2230a_100000210904_100010208147 [0,0,0,1,0,1|2,0,0]=4 11811 B16R2.104522 CC(O)CNC1OC(=O)c2c1cccc2 2230a_100000210904_100009813457 [0,0,0,1,0,1|1,0,0]=3 11812 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011218427 [0,0,0,1,0,1|2,0,0]=4 11813 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100011218427_100010208147 [0,0,0,1,0,1|2,0,0]=4 11814 B16R2.104522 CC(O)CSC1OC(=O)c2c1cccc2 62a_100011218427_100009813457 [0,0,0,1,0,1|1,0,0]=3 11815 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100009817552_100010208147 [0,0,0,1,0,1|2,0,0]=4 11816 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100009817552 [0,0,0,1,0,1|2,0,0]=4 11817 B16R2.104522 C[C@@H](O)CSC1OC(=O)c2c1cccc2 62a_100009817552_100009813457 [0,0,0,1,0,1|1,0,0]=3 11818 B16R2.104522 O=C1OC(c2c1cccc2)SCC(F)F 62a_100011934356_100009813457 [0,0,0,1,0,1|2,0,0]=4 11819 B16R2.180471 CC(C)CCCOC1Cc2c1cccc2 7a_100000210774_100009813401 [0,0,0,1,0,1|1,0,1]=4 11820 B16R2.180471 CC(C)CCOCC1Cc2c1cccc2 34a_100012476685_100000210312 [0,0,0,1,0,1|1,0,1]=4 11821 B16R2.180471 CC(C)CCOCC1Cc2c1cccc2 7a_100012476685_100000210626 [0,0,0,1,0,1|1,0,1]=4 11822 B16R2.180471 CC(C)OCCOC1Cc2c1cccc2 7a_100000211219_100009813401 [0,0,0,1,0,1|1,0,1]=4 11823 B16R2.180471 CC(C)SCCOC1Cc2c1cccc2 7a_200011212901_100009813401 [0,0,0,1,0,1|1,0,1]=4 11824 B16R2.492 CC(C)CCNc1nc2ccccc2[nH]1 27a_100000210545_100009814255 [0,0,0,1,0,1|2,0,0]=4 11825 B16R2.492 CC(C)CCNc1nc2ccccc2s1 27a_100000210545_100000751744 [0,0,0,1,0,1|1,1,0]=4 11826 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 34a_100000210254_100000753484 [0,0,0,1,0,1|1,0,1]=4 11827 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 34a_100011215286_100000210312 [0,0,0,1,0,1|1,0,1]=4 11828 B16R2.492 CC(C)CCOC1Cc2ccccc2C1 7a_100000210254_100000753484 [0,0,0,1,0,1|1,0,1]=4 11829 B16R2.492 CC(C)CCSc1cc2ccccc2[nH]1 62a_100000210312_100010232065 [0,0,0,1,0,1|1,1,0]=4 11830 B16R2.492 CC(C)CCSc1cc2ccccc2o1 62a_100000210312_100010159458 [0,0,0,1,0,1|0,1,1]=4 11831 B16R2.492 CC(C)CCSc1cc2ccccc2s1 62a_100000210312_100009816949 [0,0,0,1,0,1|0,2,0]=4 11832 B16R2.492 CC(C)CCSc1nc2ccccc2[nH]1 62a_100000210312_100009814255 [0,0,0,1,0,1|1,1,0]=4 11833 B16R2.492 CC(C)CCSc1nc2ccccc2s1 62a_100000210312_100000751744 [0,0,0,1,0,1|0,2,0]=4 11834 B16R2.2843 CN1CCC(C1)C(=O)Cc2ccccc2 1458a_100000739633_100015291786 [0,0,0,1,0,1|2,0,0]=4 11835 B16R2.2843 CN1CCC(C1)C(=O)Nc2ccccc2 22a_100000106764_100000739633 [0,0,0,1,0,1|2,0,0]=4 11836 B16R2.2843 CN1CCC(C1)C(=O)Nc2ccccc2 527a_100000106764_100000739633 [0,0,0,1,0,1|2,0,0]=4 11837 B16R2.2843 C[C@@H]1CCN(C1)C(=O)C[n+]2ccccc2 11a_100016987628_200000086051 [0,0,0,1,0,1|2,0,0]=4 11838 B16R2.2843 C[C@@H]1CCN(C1)C(=O)C[n+]2ccccc2 240690a_100016987628_200000086051 [0,0,0,1,0,1|2,0,0]=4 11839 B16R2.2843 C[C@@H]1CCN(C1)C(=O)C[n+]2ccccc2 527a_100016987628_200000086051 [0,0,0,1,0,1|2,0,0]=4 11840 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2ccccn2 11a_100016987628_100000233486 [0,0,0,1,0,1|2,0,0]=4 11841 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2cccnc2 11a_100016987628_100000737805 [0,0,0,1,0,1|2,0,0]=4 11842 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2cccnc2 240690a_100016987628_100000737805 [0,0,0,1,0,1|2,0,0]=4 11843 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2cccnc2 527a_100016987628_100000737805 [0,0,0,1,0,1|2,0,0]=4 11844 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2ccncc2 11a_100016987628_100011201483 [0,0,0,1,0,1|2,0,0]=4 11845 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2ccncc2 240690a_100016987628_100011201483 [0,0,0,1,0,1|2,0,0]=4 11846 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Nc2ccccc2 2430a_100000106764_100016987628 [0,0,0,1,0,1|1,0,0]=3 11847 B16R2.2843 O=C(Cc1ccccc1)C2CCC(C2)O 1458a_100000688591_100015291786 [0,0,0,1,0,1|2,0,0]=4 11848 B16R2.2843 O=C(Nc1ccccc1)C2CCC(C2)O 1626a_100000106764_100000688591 [0,0,0,1,0,1|2,0,0]=4 11849 B16R2.2843 O=C(Nc1ccccc1)C2CCC(C2)O 22a_100000106764_100000688591 [0,0,0,1,0,1|2,0,0]=4 11850 B16R2.2843 O=C(Nc1ccccc1)N2CCC(C2)O 2430a_100000106764_100011215560 [0,0,0,1,0,1|2,0,0]=4 11851 B16R2.2843 O=C(Nc1ccccc1)N2CC[C@@H](C2)F 2430a_100000106764_100015203821 [0,0,0,1,0,1|2,0,0]=4 11852 B16R2.3190 CC(Cc1ccccc1)OCC2CC2C 34a_100000744939_200011218536 [0,0,0,1,0,1|1,0,1]=4 11853 B16R2.3190 CC(Cc1ccccc1)OCC2CC2C 7a_100000744939_200011218536 [0,0,0,1,0,1|1,0,1]=4 11854 B16R2.3334 CC1CN(C1)CC(=O)Cc2ccccc2 2230a_100000702820_100000233483 [0,0,0,1,0,1|2,0,0]=4 11855 B16R2.3334 CC1CN(C1)CC(=O)Cc2ccccc2 269982a_100000702820_100000233483 [0,0,0,1,0,1|2,0,0]=4 11856 B16R2.3334 CC1CN(C1)CC(=O)Nc2ccccc2 2230a_100000702820_100000182850 [0,0,0,1,0,1|2,0,0]=4 11857 B16R2.3334 CC1CN(C1)CC(=O)Nc2ccccc2 269982a_100000702820_100000182850 [0,0,0,1,0,1|2,0,0]=4 11858 B16R2.3334 CC1CN(C1)CC(=O)Nc2ccccc2 34a_100000702820_100000182850 [0,0,0,1,0,1|2,0,0]=4 11859 B16R2.3334 CC1CN(C1)CC(=O)Oc2ccccc2 2230a_100000702820_100009813826 [0,0,0,1,0,1|2,0,0]=4 11860 B16R2.3334 CC1CN(C1)CC(=O)Oc2ccccc2 269982a_100000702820_100009813826 [0,0,0,1,0,1|2,0,0]=4 11861 B16R2.3334 CC1CN(C1)CC(=O)Oc2ccccc2 34a_100000702820_100009813826 [0,0,0,1,0,1|2,0,0]=4 11862 B16R2.3334 O=C(Nc1ccccc1)NC2CC(C2)F 2430a_100000106764_100016993743 [0,0,0,1,0,1|2,0,0]=4 11863 B16R2.3334 O=C(Nc1ccccc1)N[C@H]2C[C@@H](C2)O 2430a_100000106764_100020629032 [0,0,0,1,0,1|2,0,0]=4 11864 B16R2.4003 CC(C)CSC1C(=O)Nc2c1cccc2 62a_100000210624_200009996675 [0,0,0,1,0,1|2,0,0]=4 11865 B16R2.4003 CN(C)CCn1c(=O)[nH]c2c1cccc2 2230a_100102631434_203549783246 [0,0,0,1,0,1|2,0,0]=4 11866 B16R2.4003 CN(C)CCn1c(=O)[nH]c2c1cccc2 269982a_100102631434_203549783246 [0,0,0,1,0,1|2,0,0]=4 11867 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 34a_100000748627_100000694398 [0,0,0,1,0,1|1,0,1]=4 11868 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 34a_100000754188_200011218536 [0,0,0,1,0,1|1,0,1]=4 11869 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 7a_100000748627_100000764125 [0,0,0,1,0,1|1,0,1]=4 11870 B16R2.10947 CC(Cc1ccccc1)OCCC2CC2 7a_100000754188_200011218536 [0,0,0,1,0,1|1,0,1]=4 11871 B16R2.10947 O=C(CCNC1CC1)Nc2ccccc2 34a_100000212008_100000242058 [0,0,0,1,0,1|2,0,0]=4 11872 B16R2.10947 O=C(CNCC1CC1)Cc2ccccc2 2230a_100000735609_100000233483 [0,0,0,1,0,1|2,0,0]=4 11873 B16R2.10947 O=C(CNCC1CC1)Nc2ccccc2 2230a_100000735609_100000182850 [0,0,0,1,0,1|2,0,0]=4 11874 B16R2.10947 O=C(CNCC1CC1)Nc2ccccc2 34a_100000735609_100000182850 [0,0,0,1,0,1|2,0,0]=4 11875 B16R2.10947 O=C(CNCC1CC1)Oc2ccccc2 2230a_100000735609_100009813826 [0,0,0,1,0,1|2,0,0]=4 11876 B16R2.10947 O=C(CNCC1CC1)Oc2ccccc2 34a_100000735609_100009813826 [0,0,0,1,0,1|2,0,0]=4 11877 B16R2.10947 O=C(COCC1CC1)Nc2ccccc2 34a_100000211283_100000182850 [0,0,0,1,0,1|2,0,0]=4 11878 B16R2.10947 O=C(COCC1CC1)Nc2ccccc2 34a_100000246334_100000742324 [0,0,0,1,0,1|2,0,0]=4 11879 B16R2.10947 O=C(COCC1CC1)Oc2ccccc2 34a_100000211283_100009813826 [0,0,0,1,0,1|2,0,0]=4 11880 B16R2.10947 O=C(CSCC1CC1)Cc2ccccc2 1458a_200011316215_100015291786 [0,0,0,1,0,1|2,0,0]=4 11881 B16R2.10947 O=C(CSCC1CC1)Cc2ccccc2 62a_100000233483_100000742324 [0,0,0,1,0,1|2,0,0]=4 11882 B16R2.10947 O=C(CSCC1CC1)Cc2ccccc2 62a_100000756562_100000233483 [0,0,0,1,0,1|2,0,0]=4 11883 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 11a_100000106764_200011316215 [0,0,0,1,0,1|2,0,0]=4 11884 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 1626a_100000106764_200011316215 [0,0,0,1,0,1|2,0,0]=4 11885 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 22a_100000106764_200011316215 [0,0,0,1,0,1|2,0,0]=4 11886 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 527a_100000106764_200011316215 [0,0,0,1,0,1|2,0,0]=4 11887 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 62a_100000756562_100000182850 [0,0,0,1,0,1|2,0,0]=4 11888 B16R2.10947 O=C(CSCC1CC1)Nc2ccccc2 62a_100012148978_100000742324 [0,0,0,1,0,1|2,0,0]=4 11889 B16R2.10947 O=C(CSCC1CC1)Oc2ccccc2 62a_100000756562_100009813826 [0,0,0,1,0,1|2,0,0]=4 11890 B16R2.10947 O=C(CSCC1CC1)Oc2ccccc2 62a_100009813826_100000742324 [0,0,0,1,0,1|2,0,0]=4 11891 B16R2.10947 O=C(C[n+]1ccccc1)NCCC2CC2 240690a_100000764129_200000086051 [0,0,0,1,0,1|2,0,0]=4 11892 B16R2.10947 O=C(C[n+]1ccccc1)NCCC2CC2 527a_100000764129_200000086051 [0,0,0,1,0,1|2,0,0]=4 11893 B16R2.10947 O=C(Cc1cccnc1)NCCC2CC2 240690a_100000764129_100000737805 [0,0,0,1,0,1|2,0,0]=4 11894 B16R2.10947 O=C(Cc1cccnc1)NCCC2CC2 527a_100000764129_100000737805 [0,0,0,1,0,1|2,0,0]=4 11895 B16R2.10947 O=C(Cc1ccncc1)NCCC2CC2 240690a_100000764129_100011201483 [0,0,0,1,0,1|2,0,0]=4 11896 B16R2.10947 O=C(NCCC1CC1)Nc2ccccc2 2430a_100000106764_100000764129 [0,0,0,1,0,1|1,0,0]=3 11897 B16R2.2834 C[C@@H]1CCN(C1)S(=O)(=O)c2ccccc2 270084a_100016987628_100000210345 [0,1,0,1,0,0|2,0,0]=4 11898 B16R2.2834 C[C@@H]1CCN(C1)S(=O)(=O)c2ccccc2 274078a_100016987628_100000210345 [0,1,0,1,0,0|2,0,0]=4 11899 B16R2.2834 C[C@@H]1CCN(C1)S(=O)(=O)c2ccccc2 40a_100016987628_100000032697 [0,1,0,1,0,0|2,0,0]=4 11900 B16R2.3186 CC1CC1COC(F)(F)c2ccccc2 7a_100000744939_100000036403 [0,1,0,1,0,0|1,0,1]=4 11901 B16R2.82837 CC(C)(OCCC1CC1)c2ccccc2 7a_100000694644_100000764125 [0,1,0,1,0,0|1,0,1]=4 11902 B16R2.82837 FC(F)(OCCC1CC1)c2ccccc2 7a_100000754188_100000036403 [0,1,0,1,0,0|1,0,1]=4 11903 B16R2.82837 O=S(=O)(NCCC1CC1)c2ccccc2 270084a_100000764129_100000210345 [0,1,0,1,0,0|2,0,0]=4 11904 B16R2.82837 O=S(=O)(NCCC1CC1)c2ccccc2 274078a_100000764129_100000210345 [0,1,0,1,0,0|2,0,0]=4 11905 B16R2.82837 O=S(=O)(NCCC1CC1)c2ccccc2 40a_100000764129_100000032697 [0,1,0,1,0,0|2,0,0]=4 11906 B16R2.285 CC1CCN1CCC(=O)c2ccccc2 269982a_100000755817_100000750707 [0,1,0,1,0,0|2,0,0]=4 11907 B16R2.285 CC1CCN1COC(=O)c2ccccc2 269982a_100000755817_100000073877 [0,1,0,1,0,0|1,0,0]=3 11908 B16R2.2876 C[C@@H]1CN(C[C@@H]1O)C(=O)c2ccccc2 11a_200015306588_100000185807 [0,1,0,1,0,0|1,0,0]=3 11909 B16R2.2876 C[C@@H]1CN(C[C@@H]1O)C(=O)c2ccccc2 240690a_200015306588_100000185807 [0,1,0,1,0,0|1,0,0]=3 11910 B16R2.2876 C[C@@H]1CN(C[C@@H]1O)C(=O)c2ccccc2 527a_200015306588_100000185807 [0,1,0,1,0,0|1,0,0]=3 11911 B16R2.2876 O=C(c1ccccc1)N2C[C@@H]([C@H](C2)F)O 11a_100020590056_100000185807 [0,1,0,1,0,0|2,0,0]=4 11912 B16R2.2876 O=C(c1ccccc1)N2C[C@@H]([C@H](C2)F)O 240690a_100020590056_100000185807 [0,1,0,1,0,0|2,0,0]=4 11913 B16R2.2876 O=C(c1ccccc1)N2C[C@@H]([C@H](C2)F)O 527a_100020590056_100000185807 [0,1,0,1,0,0|2,0,0]=4 11914 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)F)F 11a_100103146936_100000185807 [0,1,0,1,0,0|2,0,0]=4 11915 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)F)F 1626a_100103146936_100000185807 [0,1,0,1,0,0|2,0,0]=4 11916 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)F)F 240690a_100103146936_100000185807 [0,1,0,1,0,0|2,0,0]=4 11917 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)F)F 527a_100103146936_100000185807 [0,1,0,1,0,0|2,0,0]=4 11918 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)O)O 11a_100015207562_100000185807 [0,1,0,1,0,0|2,0,0]=4 11919 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)O)O 240690a_100015207562_100000185807 [0,1,0,1,0,0|2,0,0]=4 11920 B16R2.2876 O=C(c1ccccc1)N2C[C@H]([C@H](C2)O)O 527a_100015207562_100000185807 [0,1,0,1,0,0|2,0,0]=4 11921 B16R2.27143 CN(C)C1CN(C1)C(=O)c2ccccc2 240690a_100000694738_100000185807 [0,1,0,1,0,0|2,0,0]=4 11922 B16R2.27143 CN(C)C1CN(C1)C(=O)c2ccccc2 527a_100000694738_100000185807 [0,1,0,1,0,0|2,0,0]=4 11923 B16R2.104521 CC(C)C(=O)C1CC(=O)c2c1cccc2 1458a_100000210198_100010208147 [0,1,0,1,0,0|1,0,1]=4 11924 B16R2.104521 CC(C)N(C)C1CC(=O)c2c1cccc2 269982a_200000211004_100010208147 [0,1,0,1,0,0|2,0,0]=4 11925 B16R2.104521 CC(C)N(C)C1OC(=O)c2c1cccc2 269982a_200000211004_100009813457 [0,1,0,1,0,0|1,0,0]=3 11926 B16R2.146968 CC(OCC(=O)c1ccccc1)C2CC2 7a_100000744524_100000211460 [0,1,0,1,0,0|2,0,0]=4 11927 B16R2.146968 CC(OC[C@H](N)C1CC1)c2ccccc2 34a_100020623730_100000211855 [0,1,0,1,0,0|1,0,1]=4 11928 B16R2.146968 CN(CCC(=O)c1ccccc1)C2CC2 2230a_100000226674_100000750707 [0,1,0,1,0,0|2,0,0]=4 11929 B16R2.146968 CN(CCC(=O)c1ccccc1)C2CC2 269982a_100000226674_100000750707 [0,1,0,1,0,0|2,0,0]=4 11930 B16R2.146968 CN(COC(=O)c1ccccc1)C2CC2 269982a_100000226674_100000073877 [0,1,0,1,0,0|1,0,0]=3 11931 B16R2.146968 O=C(CCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000750707 [0,1,0,1,0,0|1,0,1]=4 11932 B16R2.146968 O=C(NCC(O)C1CC1)c2ccccc2 11a_100000751198_100000185807 [0,1,0,1,0,0|1,0,0]=3 11933 B16R2.146968 O=C(NCC(O)C1CC1)c2ccccc2 240690a_100000751198_100000185807 [0,1,0,1,0,0|1,0,0]=3 11934 B16R2.146968 O=C(NCC(O)C1CC1)c2ccccc2 527a_100000751198_100000185807 [0,1,0,1,0,0|1,0,0]=3 11935 B16R2.146968 O=C(OCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000073877 [0,1,0,1,0,0|0,0,1]=3 11936 B16R2.146968 O=C(OCC(=O)C1CO1)c2ccccc2 1458a_100000701028_100000073877 [0,1,0,1,0,0|1,0,1]=4 11937 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Br 11a_100016987628_100000185839 [0,1,0,1,0,0|1,0,0]=3 11938 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Br 240690a_100016987628_100000185839 [0,1,0,1,0,0|1,0,0]=3 11939 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Br 527a_100016987628_100000185839 [0,1,0,1,0,0|1,0,0]=3 11940 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Cl 11a_100016987628_100000210187 [0,1,0,1,0,0|1,0,0]=3 11941 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Cl 240690a_100016987628_100000210187 [0,1,0,1,0,0|1,0,0]=3 11942 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)Cl 527a_100016987628_100000210187 [0,1,0,1,0,0|1,0,0]=3 11943 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)F 11a_100016987628_100000187176 [0,1,0,1,0,0|1,0,0]=3 11944 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)F 240690a_100016987628_100000187176 [0,1,0,1,0,0|1,0,0]=3 11945 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)F 527a_100016987628_100000187176 [0,1,0,1,0,0|1,0,0]=3 11946 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)I 11a_100016987628_100000187904 [0,1,0,1,0,0|1,0,0]=3 11947 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)I 240690a_100016987628_100000187904 [0,1,0,1,0,0|1,0,0]=3 11948 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)I 527a_100016987628_100000187904 [0,1,0,1,0,0|1,0,0]=3 11949 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)O 240690a_100016987628_100000212099 [0,1,0,1,0,0|1,0,0]=3 11950 B16R2.121 C[C@@H]1CCN(C1)C(=O)c2ccc(cc2)O 527a_100016987628_100000212099 [0,1,0,1,0,0|1,0,0]=3 11951 B16R2.121 Cc1ccc(cc1)C(=O)N2CCC(C2)O 240690a_100011215560_100000188618 [0,1,0,1,0,0|2,0,0]=4 11952 B16R2.121 Cc1ccc(cc1)C(=O)N2CCC(C2)O 527a_100011215560_100000188618 [0,1,0,1,0,0|2,0,0]=4 11953 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@@H](C2)F 11a_100015203821_100000188618 [0,1,0,1,0,0|2,0,0]=4 11954 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@@H](C2)F 1626a_100015203821_100000188618 [0,1,0,1,0,0|2,0,0]=4 11955 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@@H](C2)F 240690a_100015203821_100000188618 [0,1,0,1,0,0|2,0,0]=4 11956 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@@H](C2)F 527a_100015203821_100000188618 [0,1,0,1,0,0|2,0,0]=4 11957 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@H](C2)C 11a_100016987628_100000188618 [0,1,0,1,0,0|1,0,0]=3 11958 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@H](C2)C 240690a_100016987628_100000188618 [0,1,0,1,0,0|1,0,0]=3 11959 B16R2.121 Cc1ccc(cc1)C(=O)N2CC[C@H](C2)C 527a_100016987628_100000188618 [0,1,0,1,0,0|1,0,0]=3 11960 B16R2.121 O=C(c1ccc(cc1)Br)N2CCC(C2)O 240690a_100011215560_100000185839 [0,1,0,1,0,0|2,0,0]=4 11961 B16R2.121 O=C(c1ccc(cc1)Br)N2CCC(C2)O 527a_100011215560_100000185839 [0,1,0,1,0,0|2,0,0]=4 11962 B16R2.121 O=C(c1ccc(cc1)Br)N2CC[C@@H](C2)F 11a_100015203821_100000185839 [0,1,0,1,0,0|2,0,0]=4 11963 B16R2.121 O=C(c1ccc(cc1)Br)N2CC[C@@H](C2)F 1626a_100015203821_100000185839 [0,1,0,1,0,0|2,0,0]=4 11964 B16R2.121 O=C(c1ccc(cc1)Br)N2CC[C@@H](C2)F 240690a_100015203821_100000185839 [0,1,0,1,0,0|2,0,0]=4 11965 B16R2.121 O=C(c1ccc(cc1)Br)N2CC[C@@H](C2)F 527a_100015203821_100000185839 [0,1,0,1,0,0|2,0,0]=4 11966 B16R2.121 O=C(c1ccc(cc1)Cl)N2CCC(C2)O 240690a_100011215560_100000210187 [0,1,0,1,0,0|2,0,0]=4 11967 B16R2.121 O=C(c1ccc(cc1)Cl)N2CCC(C2)O 527a_100011215560_100000210187 [0,1,0,1,0,0|2,0,0]=4 11968 B16R2.121 O=C(c1ccc(cc1)Cl)N2CC[C@@H](C2)F 11a_100015203821_100000210187 [0,1,0,1,0,0|2,0,0]=4 11969 B16R2.121 O=C(c1ccc(cc1)Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000210187 [0,1,0,1,0,0|2,0,0]=4 11970 B16R2.121 O=C(c1ccc(cc1)Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000210187 [0,1,0,1,0,0|2,0,0]=4 11971 B16R2.121 O=C(c1ccc(cc1)Cl)N2CC[C@@H](C2)F 527a_100015203821_100000210187 [0,1,0,1,0,0|2,0,0]=4 11972 B16R2.121 O=C(c1ccc(cc1)F)N2CCC(C2)O 240690a_100011215560_100000187176 [0,1,0,1,0,0|2,0,0]=4 11973 B16R2.121 O=C(c1ccc(cc1)F)N2CCC(C2)O 527a_100011215560_100000187176 [0,1,0,1,0,0|2,0,0]=4 11974 B16R2.121 O=C(c1ccc(cc1)F)N2CC[C@@H](C2)F 11a_100015203821_100000187176 [0,1,0,1,0,0|2,0,0]=4 11975 B16R2.121 O=C(c1ccc(cc1)F)N2CC[C@@H](C2)F 1626a_100015203821_100000187176 [0,1,0,1,0,0|2,0,0]=4 11976 B16R2.121 O=C(c1ccc(cc1)F)N2CC[C@@H](C2)F 240690a_100015203821_100000187176 [0,1,0,1,0,0|2,0,0]=4 11977 B16R2.121 O=C(c1ccc(cc1)F)N2CC[C@@H](C2)F 527a_100015203821_100000187176 [0,1,0,1,0,0|2,0,0]=4 11978 B16R2.121 O=C(c1ccc(cc1)I)N2CCC(C2)O 240690a_100011215560_100000187904 [0,1,0,1,0,0|2,0,0]=4 11979 B16R2.121 O=C(c1ccc(cc1)I)N2CCC(C2)O 527a_100011215560_100000187904 [0,1,0,1,0,0|2,0,0]=4 11980 B16R2.121 O=C(c1ccc(cc1)I)N2CC[C@@H](C2)F 11a_100015203821_100000187904 [0,1,0,1,0,0|2,0,0]=4 11981 B16R2.121 O=C(c1ccc(cc1)I)N2CC[C@@H](C2)F 1626a_100015203821_100000187904 [0,1,0,1,0,0|2,0,0]=4 11982 B16R2.121 O=C(c1ccc(cc1)I)N2CC[C@@H](C2)F 240690a_100015203821_100000187904 [0,1,0,1,0,0|2,0,0]=4 11983 B16R2.121 O=C(c1ccc(cc1)I)N2CC[C@@H](C2)F 527a_100015203821_100000187904 [0,1,0,1,0,0|2,0,0]=4 11984 B16R2.121 O=C(c1ccc(cc1)O)N2CCC(C2)O 240690a_100011215560_100000212099 [0,1,0,1,0,0|2,0,0]=4 11985 B16R2.121 O=C(c1ccc(cc1)O)N2CCC(C2)O 527a_100011215560_100000212099 [0,1,0,1,0,0|2,0,0]=4 11986 B16R2.121 O=C(c1ccc(cc1)O)N2CC[C@@H](C2)F 240690a_100015203821_100000212099 [0,1,0,1,0,0|2,0,0]=4 11987 B16R2.121 O=C(c1ccc(cc1)O)N2CC[C@@H](C2)F 527a_100015203821_100000212099 [0,1,0,1,0,0|2,0,0]=4 11988 B16R2.1083 CC(OCC1CC1C)c2ccc(cc2)Br 34a_100000744939_100000755118 [0,1,0,1,0,0|1,0,1]=4 11989 B16R2.1083 CC(OCC1CC1C)c2ccc(cc2)Cl 7a_100000744939_100000684792 [0,1,0,1,0,0|1,0,1]=4 11990 B16R2.1083 CC(OCC1CC1C)c2ccc(cc2)F 34a_100000744939_100000743420 [0,1,0,1,0,0|1,0,1]=4 11991 B16R2.1083 CC(OCC1CC1C)c2ccc(cc2)F 7a_100000744939_100000743420 [0,1,0,1,0,0|1,0,1]=4 11992 B16R2.1083 Cc1ccc(cc1)C(C)OCC2CC2C 34a_100000744939_100011261388 [0,1,0,1,0,0|1,0,1]=4 11993 B16R2.1083 Cc1ccc(cc1)C(C)OCC2CC2C 7a_100000744939_100011261388 [0,1,0,1,0,0|1,0,1]=4 11994 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)Br 269982a_100000702820_100000188085 [0,1,0,1,0,0|2,0,0]=4 11995 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)Br 34a_100000702820_100000188085 [0,1,0,1,0,0|2,0,0]=4 11996 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)Cl 269982a_100000702820_100000211071 [0,1,0,1,0,0|2,0,0]=4 11997 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)F 269982a_100000702820_100000211279 [0,1,0,1,0,0|2,0,0]=4 11998 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)I 269982a_100000702820_100011216261 [0,1,0,1,0,0|2,0,0]=4 11999 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)I 34a_100000702820_100011216261 [0,1,0,1,0,0|2,0,0]=4 12000 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)O 269982a_100000702820_100009814261 [0,1,0,1,0,0|2,0,0]=4 12001 B16R2.1095 CC1CN(C1)CC(=O)c2ccc(cc2)O 34a_100000702820_100009814261 [0,1,0,1,0,0|2,0,0]=4 12002 B16R2.1095 CN1CC(C1)NC(=O)c2ccc(cc2)Br 240690a_100015196640_100000185839 [0,1,0,1,0,0|2,0,0]=4 12003 B16R2.1095 CN1CC(C1)NC(=O)c2ccc(cc2)Cl 240690a_100015196640_100000210187 [0,1,0,1,0,0|2,0,0]=4 12004 B16R2.1095 CN1CC(C1)NC(=O)c2ccc(cc2)F 240690a_100015196640_100000187176 [0,1,0,1,0,0|2,0,0]=4 12005 B16R2.1095 CN1CC(C1)NC(=O)c2ccc(cc2)I 240690a_100015196640_100000187904 [0,1,0,1,0,0|2,0,0]=4 12006 B16R2.1095 CN1CC(C1)NC(=O)c2ccc(cc2)O 240690a_100015196640_100000212099 [0,1,0,1,0,0|2,0,0]=4 12007 B16R2.1095 Cc1ccc(cc1)C(=O)CN2CC(C2)C 2230a_100000702820_100000211441 [0,1,0,1,0,0|2,0,0]=4 12008 B16R2.1095 Cc1ccc(cc1)C(=O)CN2CC(C2)C 269982a_100000702820_100000211441 [0,1,0,1,0,0|2,0,0]=4 12009 B16R2.1095 Cc1ccc(cc1)C(=O)CN2CC(C2)C 34a_100000702820_100000211441 [0,1,0,1,0,0|2,0,0]=4 12010 B16R2.1095 Cc1ccc(cc1)C(=O)NC2CC(C2)F 11a_100016993743_100000188618 [0,1,0,1,0,0|2,0,0]=4 12011 B16R2.1095 Cc1ccc(cc1)C(=O)NC2CC(C2)F 1626a_100016993743_100000188618 [0,1,0,1,0,0|2,0,0]=4 12012 B16R2.1095 Cc1ccc(cc1)C(=O)NC2CC(C2)F 240690a_100016993743_100000188618 [0,1,0,1,0,0|2,0,0]=4 12013 B16R2.1095 Cc1ccc(cc1)C(=O)NC2CC(C2)F 527a_100016993743_100000188618 [0,1,0,1,0,0|2,0,0]=4 12014 B16R2.1095 Cc1ccc(cc1)C(=O)NC2CN(C2)C 240690a_100015196640_100000188618 [0,1,0,1,0,0|2,0,0]=4 12015 B16R2.1095 Cc1ccc(cc1)C(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000188618 [0,1,0,1,0,0|2,0,0]=4 12016 B16R2.1095 Cc1ccc(cc1)C(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000188618 [0,1,0,1,0,0|2,0,0]=4 12017 B16R2.1095 Cc1ccc(cc1)C(=O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000188618 [0,1,0,1,0,0|2,0,0]=4 12018 B16R2.1095 Cc1ccc(cc1)C(=O)N[C@H]2C[C@@H](C2)O 527a_100020629032_100000188618 [0,1,0,1,0,0|2,0,0]=4 12019 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Br 11a_100016993743_100000185839 [0,1,0,1,0,0|2,0,0]=4 12020 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Br 1626a_100016993743_100000185839 [0,1,0,1,0,0|2,0,0]=4 12021 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Br 240690a_100016993743_100000185839 [0,1,0,1,0,0|2,0,0]=4 12022 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Br 527a_100016993743_100000185839 [0,1,0,1,0,0|2,0,0]=4 12023 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Cl 11a_100016993743_100000210187 [0,1,0,1,0,0|2,0,0]=4 12024 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Cl 1626a_100016993743_100000210187 [0,1,0,1,0,0|2,0,0]=4 12025 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Cl 240690a_100016993743_100000210187 [0,1,0,1,0,0|2,0,0]=4 12026 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)Cl 527a_100016993743_100000210187 [0,1,0,1,0,0|2,0,0]=4 12027 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)F 11a_100016993743_100000187176 [0,1,0,1,0,0|2,0,0]=4 12028 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)F 1626a_100016993743_100000187176 [0,1,0,1,0,0|2,0,0]=4 12029 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)F 240690a_100016993743_100000187176 [0,1,0,1,0,0|2,0,0]=4 12030 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)F 527a_100016993743_100000187176 [0,1,0,1,0,0|2,0,0]=4 12031 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)I 11a_100016993743_100000187904 [0,1,0,1,0,0|2,0,0]=4 12032 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)I 1626a_100016993743_100000187904 [0,1,0,1,0,0|2,0,0]=4 12033 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)I 240690a_100016993743_100000187904 [0,1,0,1,0,0|2,0,0]=4 12034 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)I 527a_100016993743_100000187904 [0,1,0,1,0,0|2,0,0]=4 12035 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)O 240690a_100016993743_100000212099 [0,1,0,1,0,0|2,0,0]=4 12036 B16R2.1095 O=C(NC1CC(C1)F)c2ccc(cc2)O 527a_100016993743_100000212099 [0,1,0,1,0,0|2,0,0]=4 12037 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Br 11a_100020629032_100000185839 [0,1,0,1,0,0|2,0,0]=4 12038 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Br 1626a_100020629032_100000185839 [0,1,0,1,0,0|2,0,0]=4 12039 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Br 240690a_100020629032_100000185839 [0,1,0,1,0,0|2,0,0]=4 12040 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Br 527a_100020629032_100000185839 [0,1,0,1,0,0|2,0,0]=4 12041 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Cl 11a_100020629032_100000210187 [0,1,0,1,0,0|2,0,0]=4 12042 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Cl 1626a_100020629032_100000210187 [0,1,0,1,0,0|2,0,0]=4 12043 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Cl 240690a_100020629032_100000210187 [0,1,0,1,0,0|2,0,0]=4 12044 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)Cl 527a_100020629032_100000210187 [0,1,0,1,0,0|2,0,0]=4 12045 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)F 11a_100020629032_100000187176 [0,1,0,1,0,0|2,0,0]=4 12046 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)F 1626a_100020629032_100000187176 [0,1,0,1,0,0|2,0,0]=4 12047 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)F 240690a_100020629032_100000187176 [0,1,0,1,0,0|2,0,0]=4 12048 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)F 527a_100020629032_100000187176 [0,1,0,1,0,0|2,0,0]=4 12049 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)I 11a_100020629032_100000187904 [0,1,0,1,0,0|2,0,0]=4 12050 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)I 1626a_100020629032_100000187904 [0,1,0,1,0,0|2,0,0]=4 12051 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)I 240690a_100020629032_100000187904 [0,1,0,1,0,0|2,0,0]=4 12052 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)I 527a_100020629032_100000187904 [0,1,0,1,0,0|2,0,0]=4 12053 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)O 240690a_100020629032_100000212099 [0,1,0,1,0,0|2,0,0]=4 12054 B16R2.1095 O=C(N[C@H]1C[C@@H](C1)O)c2ccc(cc2)O 527a_100020629032_100000212099 [0,1,0,1,0,0|2,0,0]=4 12055 B16R2.2865 CC(C)[C@@H]1COC(=N1)c2ccc(cn2)O 271570a_203496583355_106256048468 [0,1,0,1,0,0|2,0,0]=4 12056 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)Br 34a_100000745893_100000694398 [0,1,0,1,0,0|1,0,1]=4 12057 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)Br 34a_100000754188_100000755118 [0,1,0,1,0,0|1,0,1]=4 12058 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)Br 7a_100000745893_100000764125 [0,1,0,1,0,0|1,0,1]=4 12059 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)Cl 7a_100000754188_100000684792 [0,1,0,1,0,0|1,0,1]=4 12060 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)F 34a_100000181323_100000694398 [0,1,0,1,0,0|1,0,1]=4 12061 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)F 34a_100000754188_100000743420 [0,1,0,1,0,0|1,0,1]=4 12062 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)F 7a_100000181323_100000764125 [0,1,0,1,0,0|1,0,1]=4 12063 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)F 7a_100000754188_100000743420 [0,1,0,1,0,0|1,0,1]=4 12064 B16R2.33399 CC(OCCC1CC1)c2ccc(cc2)N 34a_100011216399_100000694398 [0,1,0,1,0,0|1,0,1]=4 12065 B16R2.33399 C[C@H](OCCC1CC1)c2ccc(cc2)Cl 34a_100011852131_100000694398 [0,1,0,1,0,0|1,0,1]=4 12066 B16R2.33399 C[C@H](OCCC1CC1)c2ccc(cc2)Cl 7a_100011852131_100000764125 [0,1,0,1,0,0|1,0,1]=4 12067 B16R2.33399 Cc1ccc(cc1)C(=O)CCCC2CO2 1458a_100000188618_100000733510 [0,1,0,1,0,0|2,0,0]=4 12068 B16R2.33399 Cc1ccc(cc1)C(=O)CCSC2CC2 62a_100000701375_100000211595 [0,1,0,1,0,0|2,0,0]=4 12069 B16R2.33399 Cc1ccc(cc1)C(=O)CNCC2CC2 2230a_100000735609_100000211441 [0,1,0,1,0,0|2,0,0]=4 12070 B16R2.33399 Cc1ccc(cc1)C(=O)CNCC2CC2 34a_100000735609_100000211441 [0,1,0,1,0,0|2,0,0]=4 12071 B16R2.33399 Cc1ccc(cc1)C(=O)COCC2CC2 34a_100000211283_100000211441 [0,1,0,1,0,0|2,0,0]=4 12072 B16R2.33399 Cc1ccc(cc1)C(=O)CSCC2CC2 62a_100000211441_100000742324 [0,1,0,1,0,0|2,0,0]=4 12073 B16R2.33399 Cc1ccc(cc1)C(=O)CSCC2CC2 62a_100000756562_100000211441 [0,1,0,1,0,0|2,0,0]=4 12074 B16R2.33399 Cc1ccc(cc1)C(=O)NCCC2CC2 1626a_100000764129_100000188618 [0,1,0,1,0,0|1,0,0]=3 12075 B16R2.33399 Cc1ccc(cc1)C(=O)NCCC2CC2 240690a_100000764129_100000188618 [0,1,0,1,0,0|1,0,0]=3 12076 B16R2.33399 Cc1ccc(cc1)C(=O)NCCC2CC2 527a_100000764129_100000188618 [0,1,0,1,0,0|1,0,0]=3 12077 B16R2.33399 Cc1ccc(cc1)C(=O)NNCC2CC2 22a_100000736359_100000188618 [0,1,0,1,0,0|2,0,0]=4 12078 B16R2.33399 Cc1ccc(cc1)C(C)OCCC2CC2 34a_100000754188_100011261388 [0,1,0,1,0,0|1,0,1]=4 12079 B16R2.33399 Cc1ccc(cc1)C(C)OCCC2CC2 7a_100000754188_100011261388 [0,1,0,1,0,0|1,0,1]=4 12080 B16R2.33399 Cc1ccc(cc1)[C@@H](C)OCCC2CC2 34a_100000690690_100000694398 [0,1,0,1,0,0|1,0,1]=4 12081 B16R2.33399 Cc1ccc(cc1)[C@@H](C)OCCC2CC2 7a_100000690690_100000764125 [0,1,0,1,0,0|1,0,1]=4 12082 B16R2.33399 O=C(CCCC1CO1)c2ccc(cc2)Br 1458a_100000185839_100000733510 [0,1,0,1,0,0|2,0,0]=4 12083 B16R2.33399 O=C(CCCC1CO1)c2ccc(cc2)Cl 1458a_100000210187_100000733510 [0,1,0,1,0,0|2,0,0]=4 12084 B16R2.33399 O=C(CCCC1CO1)c2ccc(cc2)F 1458a_100000187176_100000733510 [0,1,0,1,0,0|2,0,0]=4 12085 B16R2.33399 O=C(CCCC1CO1)c2ccc(cc2)I 1458a_100000187904_100000733510 [0,1,0,1,0,0|2,0,0]=4 12086 B16R2.33399 O=C(CCCC1CO1)c2ccc(cc2)O 1458a_100000212099_100000733510 [0,1,0,1,0,0|2,0,0]=4 12087 B16R2.33399 O=C(CCSC1CC1)c2ccc(cc2)Br 62a_100011215963_100000211595 [0,1,0,1,0,0|2,0,0]=4 12088 B16R2.33399 O=C(CCSC1CC1)c2ccc(cc2)Cl 62a_100011216492_100000211595 [0,1,0,1,0,0|2,0,0]=4 12089 B16R2.33399 O=C(CCSC1CC1)c2ccc(cc2)F 62a_100000211231_100000211595 [0,1,0,1,0,0|2,0,0]=4 12090 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)Br 34a_100000735609_100000188085 [0,1,0,1,0,0|2,0,0]=4 12091 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)I 34a_100000735609_100011216261 [0,1,0,1,0,0|2,0,0]=4 12092 B16R2.33399 O=C(CNCC1CC1)c2ccc(cc2)O 34a_100000735609_100009814261 [0,1,0,1,0,0|2,0,0]=4 12093 B16R2.33399 O=C(COCC1CC1)c2ccc(cc2)Br 34a_100000211283_100000188085 [0,1,0,1,0,0|2,0,0]=4 12094 B16R2.33399 O=C(COCC1CC1)c2ccc(cc2)F 34a_100000246311_100000742324 [0,1,0,1,0,0|2,0,0]=4 12095 B16R2.33399 O=C(COCC1CC1)c2ccc(cc2)I 34a_100000211283_100011216261 [0,1,0,1,0,0|2,0,0]=4 12096 B16R2.33399 O=C(COCC1CC1)c2ccc(cc2)O 34a_100000211283_100009814261 [0,1,0,1,0,0|2,0,0]=4 12097 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)Br 62a_100000188085_100000742324 [0,1,0,1,0,0|2,0,0]=4 12098 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)Cl 62a_100000211071_100000742324 [0,1,0,1,0,0|2,0,0]=4 12099 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)Cl 62a_100000756562_100000211071 [0,1,0,1,0,0|2,0,0]=4 12100 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)F 62a_100000211279_100000742324 [0,1,0,1,0,0|2,0,0]=4 12101 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)F 62a_100000756562_100000211279 [0,1,0,1,0,0|2,0,0]=4 12102 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)I 62a_100000756562_100011216261 [0,1,0,1,0,0|2,0,0]=4 12103 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)I 62a_100011216261_100000742324 [0,1,0,1,0,0|2,0,0]=4 12104 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)O 62a_100000756562_100009814261 [0,1,0,1,0,0|2,0,0]=4 12105 B16R2.33399 O=C(CSCC1CC1)c2ccc(cc2)O 62a_100009814261_100000742324 [0,1,0,1,0,0|2,0,0]=4 12106 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Br 1626a_100000764129_100000185839 [0,1,0,1,0,0|1,0,0]=3 12107 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Br 240690a_100000764129_100000185839 [0,1,0,1,0,0|1,0,0]=3 12108 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Br 527a_100000764129_100000185839 [0,1,0,1,0,0|1,0,0]=3 12109 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Cl 1626a_100000764129_100000210187 [0,1,0,1,0,0|1,0,0]=3 12110 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Cl 240690a_100000764129_100000210187 [0,1,0,1,0,0|1,0,0]=3 12111 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)Cl 527a_100000764129_100000210187 [0,1,0,1,0,0|1,0,0]=3 12112 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)F 1626a_100000764129_100000187176 [0,1,0,1,0,0|1,0,0]=3 12113 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)F 240690a_100000764129_100000187176 [0,1,0,1,0,0|1,0,0]=3 12114 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)F 527a_100000764129_100000187176 [0,1,0,1,0,0|1,0,0]=3 12115 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)I 1626a_100000764129_100000187904 [0,1,0,1,0,0|1,0,0]=3 12116 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)I 240690a_100000764129_100000187904 [0,1,0,1,0,0|1,0,0]=3 12117 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)I 527a_100000764129_100000187904 [0,1,0,1,0,0|1,0,0]=3 12118 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)O 240690a_100000764129_100000212099 [0,1,0,1,0,0|1,0,0]=3 12119 B16R2.33399 O=C(NCCC1CC1)c2ccc(cc2)O 527a_100000764129_100000212099 [0,1,0,1,0,0|1,0,0]=3 12120 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)Br 22a_100000736359_100000185839 [0,1,0,1,0,0|2,0,0]=4 12121 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)Cl 22a_100000736359_100000210187 [0,1,0,1,0,0|2,0,0]=4 12122 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)F 22a_100000736359_100000187176 [0,1,0,1,0,0|2,0,0]=4 12123 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)I 22a_100000736359_100000187904 [0,1,0,1,0,0|2,0,0]=4 12124 B16R2.33399 O=C(NNCC1CC1)c2ccc(cc2)O 22a_100000736359_100000212099 [0,1,0,1,0,0|2,0,0]=4 12125 B16R2.33399 [2H]C(OCCC1CC1)c2ccc(cc2)F 34a_217856618577_100000694398 [0,1,0,1,0,0|1,0,1]=4 12126 B16R2.33399 [2H]C(OCCC1CC1)c2ccc(cc2)F 7a_217856618577_100000764125 [0,1,0,1,0,0|1,0,1]=4 12127 B16R2.120 CC1=CCN(CC1)C(=O)c2ccccc2 11a_100000693516_100000185807 [0,1,0,1,0,0|1,0,1]=4 12128 B16R2.120 CC1=CCN(CC1)C(=O)c2ccccc2 1626a_100000693516_100000185807 [0,1,0,1,0,0|1,0,1]=4 12129 B16R2.120 CC1=CCN(CC1)C(=O)c2ccccc2 240690a_100000693516_100000185807 [0,1,0,1,0,0|1,0,1]=4 12130 B16R2.120 CC1=CCN(CC1)C(=O)c2ccccc2 527a_100000693516_100000185807 [0,1,0,1,0,0|1,0,1]=4 12131 B16R2.120 CC1CCC(CC1)C(=O)c2ccccc2 1458a_100000185807_200011216234 [0,1,0,1,0,0|1,0,0]=3 12132 B16R2.120 CC1CCN(CC1)C(=O)c2ccccc2 240690a_100000188429_100000185807 [0,1,0,1,0,0|1,0,0]=3 12133 B16R2.120 CC1CCN(CC1)C(=O)c2ccccc2 527a_100000188429_100000185807 [0,1,0,1,0,0|1,0,0]=3 12134 B16R2.120 CN1CCN(CC1)C(=O)c2ccccc2 11a_100000188432_100000185807 [0,1,0,1,0,0|2,0,0]=4 12135 B16R2.120 CN1CCN(CC1)C(=O)c2ccccc2 2230a_100000184496_200000210301 [0,1,0,1,0,0|2,0,0]=4 12136 B16R2.120 CN1CCN(CC1)C(=O)c2ccccc2 240690a_100000188432_100000185807 [0,1,0,1,0,0|2,0,0]=4 12137 B16R2.120 CN1CCN(CC1)C(=O)c2ccccc2 269982a_100000184496_200000210301 [0,1,0,1,0,0|2,0,0]=4 12138 B16R2.120 CN1CCN(CC1)C(=O)c2ccccc2 527a_100000188432_100000185807 [0,1,0,1,0,0|2,0,0]=4 12139 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)F 11a_100015193889_100000185807 [0,1,0,1,0,0|2,0,0]=4 12140 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)F 1626a_100015193889_100000185807 [0,1,0,1,0,0|2,0,0]=4 12141 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)F 240690a_100015193889_100000185807 [0,1,0,1,0,0|2,0,0]=4 12142 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)F 527a_100015193889_100000185807 [0,1,0,1,0,0|2,0,0]=4 12143 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)O 240690a_100025773856_100000185807 [0,1,0,1,0,0|2,0,0]=4 12144 B16R2.120 O=C(c1ccccc1)N2CCC(CC2)O 527a_100025773856_100000185807 [0,1,0,1,0,0|2,0,0]=4 12145 B16R2.120 [13CH3]N1CCN(CC1)C(=O)c2ccccc2 2230a_100000184496_200025704644 [0,1,0,1,0,0|2,0,0]=4 12146 B16R2.120 [13CH3]N1CCN(CC1)C(=O)c2ccccc2 269982a_100000184496_200025704644 [0,1,0,1,0,0|2,0,0]=4 12147 B16R2.522 CC(OCCC1COC1)c2ccccc2 34a_100009855314_100000211855 [0,1,0,1,0,0|1,0,1]=4 12148 B16R2.522 O=C(CCCN1CCC1)c2ccccc2 269982a_100000754969_100000211006 [0,1,0,1,0,0|2,0,0]=4 12149 B16R2.522 O=C(CCNC1CCC1)c2ccccc2 2230a_100000749019_100000750707 [0,1,0,1,0,0|2,0,0]=4 12150 B16R2.522 O=C(CCNC1COC1)c2ccccc2 2230a_100016991112_100000750707 [0,1,0,1,0,0|2,0,0]=4 12151 B16R2.522 O=C(CCOC1CSC1)c2ccccc2 7a_100000072292_100000750707 [0,1,0,1,0,0|2,0,0]=4 12152 B16R2.522 O=C(CCSC1CCC1)c2ccccc2 62a_100000750707_100000749161 [0,1,0,1,0,0|2,0,0]=4 12153 B16R2.522 O=C(CCSC1COC1)c2ccccc2 62a_100000750707_100009818527 [0,1,0,1,0,0|2,0,0]=4 12154 B16R2.522 O=C(CSCC1CCC1)c2ccccc2 62a_100000211460_100000763275 [0,1,0,1,0,0|2,0,0]=4 12155 B16R2.522 O=C(CSCC1CCC1)c2ccccc2 62a_100000763275_100000211460 [0,1,0,1,0,0|2,0,0]=4 12156 B16R2.522 O=C(CSCC1CCO1)c2ccccc2 62a_100000103362_100000211460 [0,1,0,1,0,0|2,0,0]=4 12157 B16R2.522 O=C(CSCC1CCO1)c2ccccc2 62a_100000211460_100000103362 [0,1,0,1,0,0|2,0,0]=4 12158 B16R2.522 O=C(CSCC1COC1)c2ccccc2 62a_100000211460_100010264016 [0,1,0,1,0,0|2,0,0]=4 12159 B16R2.522 O=C(CSCC1COC1)c2ccccc2 62a_100010264016_100000211460 [0,1,0,1,0,0|2,0,0]=4 12160 B16R2.522 O=C(NCCN1CCC1)c2ccccc2 240690a_100000691440_100000185807 [0,1,0,1,0,0|2,0,0]=4 12161 B16R2.522 O=C(NCCN1CCC1)c2ccccc2 269982a_100000754969_200011215302 [0,1,0,1,0,0|2,0,0]=4 12162 B16R2.522 O=C(NNCC1CCC1)c2ccccc2 22a_200020586977_100000185807 [0,1,0,1,0,0|2,0,0]=4 12163 B16R2.522 O=C(OCCN1CCC1)c2ccccc2 269982a_100000754969_100009812718 [0,1,0,1,0,0|1,0,0]=3 12164 B16R2.522 O=C(OCOC1CSC1)c2ccccc2 7a_100000072292_100000073877 [0,1,0,1,0,0|1,0,0]=3 12165 B16R2.522 O=C(OCSC1CCC1)c2ccccc2 62a_100000073877_100000749161 [0,1,0,1,0,0|1,0,0]=3 12166 B16R2.522 O=C(OCSC1COC1)c2ccccc2 62a_100000073877_100009818527 [0,1,0,1,0,0|1,0,0]=3 12167 B16R2.1874 CCC1CN(C1)CC(=O)c2ccccc2 269982a_100015205115_100000211460 [0,1,0,1,0,0|2,0,0]=4 12168 B16R2.1874 CCN1CC(C1)NC(=O)c2ccccc2 11a_200015199589_100000185807 [0,1,0,1,0,0|2,0,0]=4 12169 B16R2.1874 CCN1CC(C1)NC(=O)c2ccccc2 1626a_200015199589_100000185807 [0,1,0,1,0,0|2,0,0]=4 12170 B16R2.1874 CCN1CC(C1)NC(=O)c2ccccc2 240690a_200015199589_100000185807 [0,1,0,1,0,0|2,0,0]=4 12171 B16R2.1874 COC1CN(C1)CC(=O)c2ccccc2 269982a_100000755009_100000211460 [0,1,0,1,0,0|2,0,0]=4 12172 B16R2.1874 CO[C@H]1C[C@@H](C1)NC(=O)c2ccccc2 11a_100121570643_100000185807 [0,1,0,1,0,0|1,0,0]=3 12173 B16R2.1874 CO[C@H]1C[C@@H](C1)NC(=O)c2ccccc2 1626a_100121570643_100000185807 [0,1,0,1,0,0|1,0,0]=3 12174 B16R2.1874 CO[C@H]1C[C@@H](C1)NC(=O)c2ccccc2 240690a_100121570643_100000185807 [0,1,0,1,0,0|1,0,0]=3 12175 B16R2.1874 CO[C@H]1C[C@@H](C1)NC(=O)c2ccccc2 527a_100121570643_100000185807 [0,1,0,1,0,0|1,0,0]=3 12176 B16R2.1874 CSC1CN(C1)CC(=O)c2ccccc2 269982a_100016990038_100000211460 [0,1,0,1,0,0|2,0,0]=4 12177 B16R2.1874 O=C(CN1CC(C1)CF)c2ccccc2 269982a_100010363649_100000211460 [0,1,0,1,0,0|2,0,0]=4 12178 B16R2.1874 O=C(CN1CC(C1)CO)c2ccccc2 269982a_100016987283_100000211460 [0,1,0,1,0,0|2,0,0]=4 12179 B16R2.1874 O=C(NC1CC(C1)CO)c2ccccc2 240690a_100000095622_100000185807 [0,1,0,1,0,0|1,0,0]=3 12180 B16R2.1874 O=C(NC1CC(C1)CO)c2ccccc2 527a_100000095622_100000185807 [0,1,0,1,0,0|1,0,0]=3 12181 B16R2.2353 CO[C@@H]1CCN(C1)C(=O)c2ccccc2 11a_100000766984_100000185807 [0,1,0,1,0,0|1,0,0]=3 12182 B16R2.2353 CO[C@@H]1CCN(C1)C(=O)c2ccccc2 1626a_100000766984_100000185807 [0,1,0,1,0,0|1,0,0]=3 12183 B16R2.2353 CO[C@@H]1CCN(C1)C(=O)c2ccccc2 240690a_100000766984_100000185807 [0,1,0,1,0,0|1,0,0]=3 12184 B16R2.2353 CO[C@@H]1CCN(C1)C(=O)c2ccccc2 527a_100000766984_100000185807 [0,1,0,1,0,0|1,0,0]=3 12185 B16R2.2353 N#CC1CCN(C1)C(=O)c2ccccc2 11a_100016989334_100000185807 [0,1,0,1,0,0|1,0,1]=4 12186 B16R2.2353 N#CC1CCN(C1)C(=O)c2ccccc2 1626a_100016989334_100000185807 [0,1,0,1,0,0|1,0,1]=4 12187 B16R2.2353 N#CC1CCN(C1)C(=O)c2ccccc2 240690a_100016989334_100000185807 [0,1,0,1,0,0|1,0,1]=4 12188 B16R2.2353 N#CC1CCN(C1)C(=O)c2ccccc2 527a_100016989334_100000185807 [0,1,0,1,0,0|1,0,1]=4 12189 B16R2.2353 O=C(c1ccccc1)N2CCC(C2)CO 240690a_100000748654_100000185807 [0,1,0,1,0,0|1,0,0]=3 12190 B16R2.2353 O=C(c1ccccc1)N2CCC(C2)CO 527a_100000748654_100000185807 [0,1,0,1,0,0|1,0,0]=3 12191 B16R2.33556 C#CC(C)NC1OC(=O)c2c1cccc2 2230a_100000707721_100009813457 [0,1,0,1,0,0|1,0,1]=4 12192 B16R2.33556 C#CC(C)SC1OC(=O)c2c1cccc2 62a_200000035995_100009813457 [0,1,0,1,0,0|1,0,1]=4 12193 B16R2.33556 C=CC(C)SC1OC(=O)c2c1cccc2 62a_100011215867_100009813457 [0,1,0,1,0,0|1,0,1]=4 12194 B16R2.33556 CC(C#N)NC1OC(=O)c2c1cccc2 2230a_100000737613_100009813457 [0,1,0,1,0,0|1,0,1]=4 12195 B16R2.33556 CC(C#N)SC1OC(=O)c2c1cccc2 62a_100000703298_100009813457 [0,1,0,1,0,0|1,0,1]=4 12196 B16R2.33556 CC(CF)OC1CC(=O)c2c1cccc2 7a_100016041109_100010208147 [0,1,0,1,0,0|2,0,0]=4 12197 B16R2.33556 CC(CO)SC1CC(=O)c2c1cccc2 62a_100012180447_100010208147 [0,1,0,1,0,0|2,0,0]=4 12198 B16R2.33556 CC(CO)SC1OC(=O)c2c1cccc2 62a_100012180447_100009813457 [0,1,0,1,0,0|1,0,0]=3 12199 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,1,0,1,0,0|1,0,1]=4 12200 B16R2.33556 CCC(C)NC1CC(=O)c2c1cccc2 2230a_100000209981_100010208147 [0,1,0,1,0,0|2,0,0]=4 12201 B16R2.33556 CCC(C)NC1OC(=O)c2c1cccc2 2230a_100000209981_100009813457 [0,1,0,1,0,0|1,0,0]=3 12202 B16R2.33556 CCC(C)OC1CC(=O)c2c1cccc2 7a_100000210228_100010208147 [0,1,0,1,0,0|2,0,0]=4 12203 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100000758301_100010208147 [0,1,0,1,0,0|2,0,0]=4 12204 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000758301 [0,1,0,1,0,0|2,0,0]=4 12205 B16R2.33556 CCC(C)SC1OC(=O)c2c1cccc2 62a_100000758301_100009813457 [0,1,0,1,0,0|1,0,0]=3 12206 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 11a_106832991635_100000185305 [0,1,0,1,0,0|1,0,1]=4 12207 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 1626a_100102657272_100000185305 [0,1,0,1,0,0|1,0,1]=4 12208 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 240690a_100102657272_100000185305 [0,1,0,1,0,0|1,0,1]=4 12209 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 527a_100102657272_100000185305 [0,1,0,1,0,0|1,0,1]=4 12210 B16R2.33556 COC(C)SC1CC(=O)c2c1cccc2 62a_100009879195_100010208147 [0,1,0,1,0,0|2,0,0]=4 12211 B16R2.33556 COC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100009879195 [0,1,0,1,0,0|2,0,0]=4 12212 B16R2.33556 COC(C)SC1OC(=O)c2c1cccc2 62a_100009879195_100009813457 [0,1,0,1,0,0|1,0,0]=3 12213 B16R2.33556 C[C@H](CO)NC1CC(=O)c2c1cccc2 2230a_100000737577_100010208147 [0,1,0,1,0,0|2,0,0]=4 12214 B16R2.33556 C[C@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000737577_100009813457 [0,1,0,1,0,0|1,0,0]=3 12215 B16R2.33556 C[C@H](CO)SC1CC(=O)c2c1cccc2 62a_100010208147_100016084084 [0,1,0,1,0,0|2,0,0]=4 12216 B16R2.33556 C[C@H](CO)SC1CC(=O)c2c1cccc2 62a_100016084084_100010208147 [0,1,0,1,0,0|2,0,0]=4 12217 B16R2.33556 C[C@H](CO)SC1OC(=O)c2c1cccc2 62a_100016084084_100009813457 [0,1,0,1,0,0|1,0,0]=3 12218 B16R2.33556 O=C(CF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100015361967 [0,1,0,1,0,0|1,0,1]=4 12219 B16R2.146982 CC1(CC1)COCC(=O)c2ccccc2 7a_100000698024_100000211460 [0,1,0,1,0,0|2,0,0]=4 12220 B16R2.146982 CC1(CC1)NCCC(=O)c2ccccc2 2230a_100000757604_100000750707 [0,1,0,1,0,0|2,0,0]=4 12221 B16R2.146982 CC1(CC1)OCCC(=O)c2ccccc2 7a_100011725673_100000750707 [0,1,0,1,0,0|2,0,0]=4 12222 B16R2.146982 CC1(CC1)OCOC(=O)c2ccccc2 7a_100011725673_100000073877 [0,1,0,1,0,0|1,0,0]=3 12223 B16R2.146982 CC1(CO1)CSCC(=O)c2ccccc2 62a_100000211460_100000760498 [0,1,0,1,0,0|2,0,0]=4 12224 B16R2.146982 CC1(CO1)CSCC(=O)c2ccccc2 62a_100000760498_100000211460 [0,1,0,1,0,0|2,0,0]=4 12225 B16R2.146982 O=C(COCC1(CC1)F)c2ccccc2 7a_200000703853_100000211460 [0,1,0,1,0,0|2,0,0]=4 12226 B16R2.172155 CCC(C)CCOC1Cc2c1cccc2 7a_100011215188_100009813401 [0,1,0,1,0,0|1,0,1]=4 12227 B16R2.172155 COC(C)CCOC1Cc2c1cccc2 7a_100000764861_100009813401 [0,1,0,1,0,0|1,0,1]=4 12228 B16R2.4101 CC1CC1C(=O)CC(=O)c2ccccc2 1458a_100000211227_100000211460 [0,1,0,1,0,0|1,0,1]=4 12229 B16R2.27712 CN(CC(=O)c1ccccc1)CC2CC2 269982a_100000741881_100000211460 [0,1,0,1,0,0|2,0,0]=4 12230 B16R2.27712 O=C(CC(=O)c1ccccc1)CC2CC2 1458a_100000738066_100000211460 [0,1,0,1,0,0|1,0,1]=4 12231 B16R2.27715 CC1(CN(C1)CC(=O)c2ccccc2)C 269982a_100000753659_100000211460 [0,1,0,1,0,0|2,0,0]=4 12232 B16R2.27715 CC1(CN(C1)CC(=O)c2ccccc2)F 269982a_100000696199_100000211460 [0,1,0,1,0,0|2,0,0]=4 12233 B16R2.27715 CC1(CN(C1)CC(=O)c2ccccc2)O 269982a_100000718560_100000211460 [0,1,0,1,0,0|2,0,0]=4 12234 B16R2.27715 C[C@@]1(C[C@H](C1)NC(=O)c2ccccc2)O 11a_100121572536_100000185807 [0,1,0,1,0,0|1,0,0]=3 12235 B16R2.27715 C[C@@]1(C[C@H](C1)NC(=O)c2ccccc2)O 1626a_100121572536_100000185807 [0,1,0,1,0,0|1,0,0]=3 12236 B16R2.27715 C[C@@]1(C[C@H](C1)NC(=O)c2ccccc2)O 240690a_100121572536_100000185807 [0,1,0,1,0,0|1,0,0]=3 12237 B16R2.27715 C[C@@]1(C[C@H](C1)NC(=O)c2ccccc2)O 527a_100121572536_100000185807 [0,1,0,1,0,0|1,0,0]=3 12238 B16R2.27715 O=C(CC1CC(C1)(F)F)c2ccccc2 1458a_100000185807_100009886855 [0,1,0,1,0,0|2,0,0]=4 12239 B16R2.27715 O=C(NC1CC(C1)(F)F)c2ccccc2 11a_100000756238_100000185807 [0,1,0,1,0,0|2,0,0]=4 12240 B16R2.27715 O=C(NC1CC(C1)(F)F)c2ccccc2 1626a_100000756238_100000185807 [0,1,0,1,0,0|2,0,0]=4 12241 B16R2.27715 O=C(NC1CC(C1)(F)F)c2ccccc2 240690a_100000756238_100000185807 [0,1,0,1,0,0|2,0,0]=4 12242 B16R2.27715 O=C(NC1CC(C1)(F)F)c2ccccc2 527a_100000756238_100000185807 [0,1,0,1,0,0|2,0,0]=4 12243 B16R2.403821 CC(C)CC(C)OC1Cc2c1cccc2 7a_100000211805_100009813401 [0,1,0,1,0,0|1,0,1]=4 12244 B16R2.139 CC1(C=C(C(=O)CC1)c2ccccc2)C 271570a_100010199685_100000210277 [0,1,0,1,0,0|2,0,0]=4 12245 B16R2.3321 CC1CN(C1)C(C)C(=O)c2ccccc2 2230a_100000702820_100000239700 [0,1,0,1,0,0|2,0,0]=4 12246 B16R2.3321 CC1CN(C1)C(C)C(=O)c2ccccc2 269982a_100000702820_100000239700 [0,1,0,1,0,0|2,0,0]=4 12247 B16R2.3356 CC(C)CSC1Cc2ccccc2C1=O 62a_100000210624_100011218503 [0,1,0,1,0,0|2,0,0]=4 12248 B16R2.3356 CC(C)CSC1Cc2ccccc2C1=O 62a_100011218503_100000210760 [0,1,0,1,0,0|2,0,0]=4 12249 B16R2.27783 C=C(C(=O)CCC1CC1)c2ccccc2 1458a_100000065200_100000694398 [0,1,0,1,0,0|2,0,0]=4 12250 B16R2.27783 CC(NCC1CC1)C(=O)c2ccccc2 2230a_100000735609_100000239700 [0,1,0,1,0,0|2,0,0]=4 12251 B16R2.27783 CC(SCC1CC1)C(=O)c2ccccc2 62a_100000239700_100000742324 [0,1,0,1,0,0|2,0,0]=4 12252 B16R2.27783 CC(SCC1CC1)C(=O)c2ccccc2 62a_100000756562_100000239700 [0,1,0,1,0,0|2,0,0]=4 12253 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)C 11a_100000764714_100000185807 [0,1,0,1,0,0|1,0,0]=3 12254 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)C 1626a_100000764714_100000185807 [0,1,0,1,0,0|1,0,0]=3 12255 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)C 240690a_100000764714_100000185807 [0,1,0,1,0,0|1,0,0]=3 12256 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)C 527a_100000764714_100000185807 [0,1,0,1,0,0|1,0,0]=3 12257 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)O 11a_100000718628_100000185807 [0,1,0,1,0,0|1,0,0]=3 12258 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)O 240690a_100000718628_100000185807 [0,1,0,1,0,0|1,0,0]=3 12259 B16R2.250682 CC1(CCN(C1)C(=O)c2ccccc2)O 527a_100000718628_100000185807 [0,1,0,1,0,0|1,0,0]=3 12260 B16R2.250682 O=C(c1ccccc1)N2CCC(C2)(F)F 11a_100000697292_100000185807 [0,1,0,1,0,0|2,0,0]=4 12261 B16R2.250682 O=C(c1ccccc1)N2CCC(C2)(F)F 1626a_100000697292_100000185807 [0,1,0,1,0,0|2,0,0]=4 12262 B16R2.250682 O=C(c1ccccc1)N2CCC(C2)(F)F 240690a_100000697292_100000185807 [0,1,0,1,0,0|2,0,0]=4 12263 B16R2.250682 O=C(c1ccccc1)N2CCC(C2)(F)F 527a_100000697292_100000185807 [0,1,0,1,0,0|2,0,0]=4 12264 B16R2.36 CC(C)CCOC1CCc2c1cccc2 34a_100000212247_100000210312 [0,1,0,1,0,0|1,0,1]=4 12265 B16R2.36 CC(C)CCOC1CCc2c1cccc2 7a_100000212247_100000210626 [0,1,0,1,0,0|1,0,1]=4 12266 B16R2.36 CC(C)CCOc1csc2c1cccc2 34a_100000077758_100000210312 [0,1,0,1,0,0|0,1,0]=3 12267 B16R2.36 CC(C)CCOc1csc2c1cccc2 7a_100000077758_100000210626 [0,1,0,1,0,0|0,1,0]=3 12268 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [0,1,0,1,0,0|0,1,1]=4 12269 B16R2.36 CC(C)CCSc1csc2c1cccc2 62a_100000210312_100009813928 [0,1,0,1,0,0|0,2,0]=4 12270 B16R2.36 CC(C)CCSc1n[nH]c2c1cccc2 62a_100000210312_100000050141 [0,1,0,1,0,0|1,1,0]=4 12271 B16R2.36 CC(C)CCSc1noc2c1cccc2 62a_100000210312_200000703156 [0,1,0,1,0,0|0,1,1]=4 12272 B16R2.36 CC(C)CCSc1noc2c1cccc2 62a_200000703156_100000210312 [0,1,0,1,0,0|0,1,1]=4 12273 B16R2.36 CC(C)OCOc1csc2c1cccc2 34a_100000077758_100000709892 [0,1,0,1,0,0|1,1,0]=4 12274 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [0,1,0,1,0,0|1,1,0]=4 12275 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [0,1,0,1,0,0|1,1,0]=4 12276 B16R2.36 CN(C)CCOc1csc2c1cccc2 7a_100000077758_100000755713 [0,1,0,1,0,0|1,1,0]=4 12277 B16R2.29073 BrCC(OCCC1CC1)c2ccccc2 7a_100000185958_100000764125 [0,1,0,1,0,0|1,0,1]=4 12278 B16R2.29073 C#CC(OCCC1CC1)c2ccccc2 34a_100011219616_100000694398 [0,1,0,1,0,0|1,0,1]=4 12279 B16R2.29073 C#CC(OCCC1CC1)c2ccccc2 7a_100011219616_100000764125 [0,1,0,1,0,0|1,0,1]=4 12280 B16R2.29073 C=CC(OCCC1CC1)c2ccccc2 34a_100011215659_100000694398 [0,1,0,1,0,0|1,0,1]=4 12281 B16R2.29073 C=CC(OCCC1CC1)c2ccccc2 7a_100011215659_100000764125 [0,1,0,1,0,0|1,0,1]=4 12282 B16R2.29073 CCC(OCCC1CC1)c2ccccc2 34a_100000698172_100000694398 [0,1,0,1,0,0|1,0,1]=4 12283 B16R2.29073 CCC(OCCC1CC1)c2ccccc2 7a_100000698172_100000764125 [0,1,0,1,0,0|1,0,1]=4 12284 B16R2.29073 ClC[C@@H](OCCC1CC1)c2ccccc2 34a_100011933945_100000694398 [0,1,0,1,0,0|1,0,1]=4 12285 B16R2.29073 ClC[C@@H](OCCC1CC1)c2ccccc2 7a_100011933945_100000764125 [0,1,0,1,0,0|1,0,1]=4 12286 B16R2.29073 N#CC(OCCC1CC1)c2ccccc2 7a_100011217353_100000764125 [0,1,0,1,0,0|1,0,1]=4 12287 B16R2.29073 NCC(OCCC1CC1)c2ccccc2 34a_100000210709_100000694398 [0,1,0,1,0,0|1,0,1]=4 12288 B16R2.3270 CC(C)[C@@H]1COC(=N1)c2ccccc2O 271570a_203496583355_100015289593 [0,1,0,1,0,0|1,0,0]=3 12289 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Br 11a_100016987628_100000188424 [0,1,0,1,0,0|1,0,0]=3 12290 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Br 240690a_100016987628_100000188424 [0,1,0,1,0,0|1,0,0]=3 12291 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Br 527a_100016987628_100000188424 [0,1,0,1,0,0|1,0,0]=3 12292 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Cl 11a_100016987628_100000185844 [0,1,0,1,0,0|1,0,0]=3 12293 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Cl 240690a_100016987628_100000185844 [0,1,0,1,0,0|1,0,0]=3 12294 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2Cl 527a_100016987628_100000185844 [0,1,0,1,0,0|1,0,0]=3 12295 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2F 11a_100016987628_100000188656 [0,1,0,1,0,0|1,0,0]=3 12296 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2F 240690a_100016987628_100000188656 [0,1,0,1,0,0|1,0,0]=3 12297 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2F 527a_100016987628_100000188656 [0,1,0,1,0,0|1,0,0]=3 12298 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2I 11a_100016987628_100000187884 [0,1,0,1,0,0|1,0,0]=3 12299 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2I 240690a_100016987628_100000187884 [0,1,0,1,0,0|1,0,0]=3 12300 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2I 527a_100016987628_100000187884 [0,1,0,1,0,0|1,0,0]=3 12301 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2O 240690a_100016987628_100015234032 [0,1,0,1,0,0|1,0,0]=3 12302 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2[O-] 240690a_100016987628_100009911694 [0,1,0,1,0,0|1,0,0]=3 12303 B16R2.11440 C[C@@H]1CCN(C1)C(=O)c2ccccc2[O-] 527a_100016987628_100009911694 [0,1,0,1,0,0|1,0,0]=3 12304 B16R2.11440 Cc1ccccc1C(=O)N2CCC(C2)O 240690a_100011215560_100000212026 [0,1,0,1,0,0|2,0,0]=4 12305 B16R2.11440 Cc1ccccc1C(=O)N2CCC(C2)O 527a_100011215560_100000212026 [0,1,0,1,0,0|2,0,0]=4 12306 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@@H](C2)F 11a_100015203821_100000212026 [0,1,0,1,0,0|2,0,0]=4 12307 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@@H](C2)F 1626a_100015203821_100000212026 [0,1,0,1,0,0|2,0,0]=4 12308 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@@H](C2)F 240690a_100015203821_100000212026 [0,1,0,1,0,0|2,0,0]=4 12309 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@@H](C2)F 527a_100015203821_100000212026 [0,1,0,1,0,0|2,0,0]=4 12310 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@H](C2)C 11a_100016987628_100000212026 [0,1,0,1,0,0|1,0,0]=3 12311 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@H](C2)C 240690a_100016987628_100000212026 [0,1,0,1,0,0|1,0,0]=3 12312 B16R2.11440 Cc1ccccc1C(=O)N2CC[C@H](C2)C 527a_100016987628_100000212026 [0,1,0,1,0,0|1,0,0]=3 12313 B16R2.11440 O=C(c1ccccc1Br)N2CCC(C2)O 240690a_100011215560_100000188424 [0,1,0,1,0,0|2,0,0]=4 12314 B16R2.11440 O=C(c1ccccc1Br)N2CCC(C2)O 527a_100011215560_100000188424 [0,1,0,1,0,0|2,0,0]=4 12315 B16R2.11440 O=C(c1ccccc1Br)N2CC[C@@H](C2)F 11a_100015203821_100000188424 [0,1,0,1,0,0|2,0,0]=4 12316 B16R2.11440 O=C(c1ccccc1Br)N2CC[C@@H](C2)F 1626a_100015203821_100000188424 [0,1,0,1,0,0|2,0,0]=4 12317 B16R2.11440 O=C(c1ccccc1Br)N2CC[C@@H](C2)F 240690a_100015203821_100000188424 [0,1,0,1,0,0|2,0,0]=4 12318 B16R2.11440 O=C(c1ccccc1Br)N2CC[C@@H](C2)F 527a_100015203821_100000188424 [0,1,0,1,0,0|2,0,0]=4 12319 B16R2.11440 O=C(c1ccccc1Cl)N2CCC(C2)O 240690a_100011215560_100000185844 [0,1,0,1,0,0|2,0,0]=4 12320 B16R2.11440 O=C(c1ccccc1Cl)N2CCC(C2)O 527a_100011215560_100000185844 [0,1,0,1,0,0|2,0,0]=4 12321 B16R2.11440 O=C(c1ccccc1Cl)N2CC[C@@H](C2)F 11a_100015203821_100000185844 [0,1,0,1,0,0|2,0,0]=4 12322 B16R2.11440 O=C(c1ccccc1Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000185844 [0,1,0,1,0,0|2,0,0]=4 12323 B16R2.11440 O=C(c1ccccc1Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000185844 [0,1,0,1,0,0|2,0,0]=4 12324 B16R2.11440 O=C(c1ccccc1Cl)N2CC[C@@H](C2)F 527a_100015203821_100000185844 [0,1,0,1,0,0|2,0,0]=4 12325 B16R2.11440 O=C(c1ccccc1F)N2CCC(C2)O 240690a_100011215560_100000188656 [0,1,0,1,0,0|2,0,0]=4 12326 B16R2.11440 O=C(c1ccccc1F)N2CCC(C2)O 527a_100011215560_100000188656 [0,1,0,1,0,0|2,0,0]=4 12327 B16R2.11440 O=C(c1ccccc1F)N2CC[C@@H](C2)F 11a_100015203821_100000188656 [0,1,0,1,0,0|2,0,0]=4 12328 B16R2.11440 O=C(c1ccccc1F)N2CC[C@@H](C2)F 1626a_100015203821_100000188656 [0,1,0,1,0,0|2,0,0]=4 12329 B16R2.11440 O=C(c1ccccc1F)N2CC[C@@H](C2)F 240690a_100015203821_100000188656 [0,1,0,1,0,0|2,0,0]=4 12330 B16R2.11440 O=C(c1ccccc1F)N2CC[C@@H](C2)F 527a_100015203821_100000188656 [0,1,0,1,0,0|2,0,0]=4 12331 B16R2.11440 O=C(c1ccccc1I)N2CCC(C2)O 240690a_100011215560_100000187884 [0,1,0,1,0,0|2,0,0]=4 12332 B16R2.11440 O=C(c1ccccc1I)N2CCC(C2)O 527a_100011215560_100000187884 [0,1,0,1,0,0|2,0,0]=4 12333 B16R2.11440 O=C(c1ccccc1I)N2CC[C@@H](C2)F 11a_100015203821_100000187884 [0,1,0,1,0,0|2,0,0]=4 12334 B16R2.11440 O=C(c1ccccc1I)N2CC[C@@H](C2)F 1626a_100015203821_100000187884 [0,1,0,1,0,0|2,0,0]=4 12335 B16R2.11440 O=C(c1ccccc1I)N2CC[C@@H](C2)F 240690a_100015203821_100000187884 [0,1,0,1,0,0|2,0,0]=4 12336 B16R2.11440 O=C(c1ccccc1I)N2CC[C@@H](C2)F 527a_100015203821_100000187884 [0,1,0,1,0,0|2,0,0]=4 12337 B16R2.11440 O=C(c1ccccc1O)N2CCC(C2)O 240690a_100011215560_100015234032 [0,1,0,1,0,0|2,0,0]=4 12338 B16R2.11440 O=C(c1ccccc1O)N2CC[C@@H](C2)F 240690a_100015203821_100015234032 [0,1,0,1,0,0|2,0,0]=4 12339 B16R2.11440 O=C(c1ccccc1[O-])N2CCC(C2)O 240690a_100011215560_100009911694 [0,1,0,1,0,0|2,0,0]=4 12340 B16R2.11440 O=C(c1ccccc1[O-])N2CCC(C2)O 527a_100011215560_100009911694 [0,1,0,1,0,0|2,0,0]=4 12341 B16R2.11440 O=C(c1ccccc1[O-])N2CC[C@@H](C2)F 1626a_100015203821_100009911694 [0,1,0,1,0,0|2,0,0]=4 12342 B16R2.11440 O=C(c1ccccc1[O-])N2CC[C@@H](C2)F 240690a_100015203821_100009911694 [0,1,0,1,0,0|2,0,0]=4 12343 B16R2.11440 O=C(c1ccccc1[O-])N2CC[C@@H](C2)F 527a_100015203821_100009911694 [0,1,0,1,0,0|2,0,0]=4 12344 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2Br 269982a_100000702820_100000199116 [0,1,0,1,0,0|2,0,0]=4 12345 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2Br 34a_100000702820_100000199116 [0,1,0,1,0,0|2,0,0]=4 12346 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2Cl 269982a_100000702820_100000211432 [0,1,0,1,0,0|2,0,0]=4 12347 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2Cl 34a_100000702820_100000211432 [0,1,0,1,0,0|2,0,0]=4 12348 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2F 269982a_100000702820_100000204681 [0,1,0,1,0,0|2,0,0]=4 12349 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2F 34a_100000702820_100000204681 [0,1,0,1,0,0|2,0,0]=4 12350 B16R2.12487 CC1CN(C1)CC(=O)c2ccccc2O 269982a_100000702820_100000188908 [0,1,0,1,0,0|2,0,0]=4 12351 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2Br 240690a_100015196640_100000188424 [0,1,0,1,0,0|2,0,0]=4 12352 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2Cl 240690a_100015196640_100000185844 [0,1,0,1,0,0|2,0,0]=4 12353 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2F 240690a_100015196640_100000188656 [0,1,0,1,0,0|2,0,0]=4 12354 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2I 240690a_100015196640_100000187884 [0,1,0,1,0,0|2,0,0]=4 12355 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2O 240690a_100015196640_100015234032 [0,1,0,1,0,0|2,0,0]=4 12356 B16R2.12487 CN1CC(C1)NC(=O)c2ccccc2[O-] 240690a_100015196640_100009911694 [0,1,0,1,0,0|2,0,0]=4 12357 B16R2.12487 Cc1ccccc1C(=O)CN2CC(C2)C 2230a_100000702820_100000741374 [0,1,0,1,0,0|2,0,0]=4 12358 B16R2.12487 Cc1ccccc1C(=O)CN2CC(C2)C 269982a_100000702820_100000741374 [0,1,0,1,0,0|2,0,0]=4 12359 B16R2.12487 Cc1ccccc1C(=O)CN2CC(C2)C 34a_100000702820_100000741374 [0,1,0,1,0,0|2,0,0]=4 12360 B16R2.12487 Cc1ccccc1C(=O)NC2CC(C2)F 11a_100016993743_100000212026 [0,1,0,1,0,0|2,0,0]=4 12361 B16R2.12487 Cc1ccccc1C(=O)NC2CC(C2)F 1626a_100016993743_100000212026 [0,1,0,1,0,0|2,0,0]=4 12362 B16R2.12487 Cc1ccccc1C(=O)NC2CC(C2)F 240690a_100016993743_100000212026 [0,1,0,1,0,0|2,0,0]=4 12363 B16R2.12487 Cc1ccccc1C(=O)NC2CC(C2)F 527a_100016993743_100000212026 [0,1,0,1,0,0|2,0,0]=4 12364 B16R2.12487 Cc1ccccc1C(=O)NC2CN(C2)C 240690a_100015196640_100000212026 [0,1,0,1,0,0|2,0,0]=4 12365 B16R2.12487 Cc1ccccc1C(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000212026 [0,1,0,1,0,0|2,0,0]=4 12366 B16R2.12487 Cc1ccccc1C(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000212026 [0,1,0,1,0,0|2,0,0]=4 12367 B16R2.12487 Cc1ccccc1C(=O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000212026 [0,1,0,1,0,0|2,0,0]=4 12368 B16R2.12487 Cc1ccccc1C(=O)N[C@H]2C[C@@H](C2)O 527a_100020629032_100000212026 [0,1,0,1,0,0|2,0,0]=4 12369 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Br 11a_100016993743_100000188424 [0,1,0,1,0,0|2,0,0]=4 12370 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Br 1626a_100016993743_100000188424 [0,1,0,1,0,0|2,0,0]=4 12371 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Br 240690a_100016993743_100000188424 [0,1,0,1,0,0|2,0,0]=4 12372 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Br 527a_100016993743_100000188424 [0,1,0,1,0,0|2,0,0]=4 12373 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Cl 11a_100016993743_100000185844 [0,1,0,1,0,0|2,0,0]=4 12374 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Cl 1626a_100016993743_100000185844 [0,1,0,1,0,0|2,0,0]=4 12375 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Cl 240690a_100016993743_100000185844 [0,1,0,1,0,0|2,0,0]=4 12376 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2Cl 527a_100016993743_100000185844 [0,1,0,1,0,0|2,0,0]=4 12377 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2F 11a_100016993743_100000188656 [0,1,0,1,0,0|2,0,0]=4 12378 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2F 1626a_100016993743_100000188656 [0,1,0,1,0,0|2,0,0]=4 12379 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2F 240690a_100016993743_100000188656 [0,1,0,1,0,0|2,0,0]=4 12380 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2F 527a_100016993743_100000188656 [0,1,0,1,0,0|2,0,0]=4 12381 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2I 11a_100016993743_100000187884 [0,1,0,1,0,0|2,0,0]=4 12382 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2I 1626a_100016993743_100000187884 [0,1,0,1,0,0|2,0,0]=4 12383 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2I 240690a_100016993743_100000187884 [0,1,0,1,0,0|2,0,0]=4 12384 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2I 527a_100016993743_100000187884 [0,1,0,1,0,0|2,0,0]=4 12385 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2O 240690a_100016993743_100015234032 [0,1,0,1,0,0|2,0,0]=4 12386 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2[O-] 1626a_100016993743_100009911694 [0,1,0,1,0,0|2,0,0]=4 12387 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2[O-] 240690a_100016993743_100009911694 [0,1,0,1,0,0|2,0,0]=4 12388 B16R2.12487 O=C(NC1CC(C1)F)c2ccccc2[O-] 527a_100016993743_100009911694 [0,1,0,1,0,0|2,0,0]=4 12389 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Br 11a_100020629032_100000188424 [0,1,0,1,0,0|2,0,0]=4 12390 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Br 1626a_100020629032_100000188424 [0,1,0,1,0,0|2,0,0]=4 12391 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Br 240690a_100020629032_100000188424 [0,1,0,1,0,0|2,0,0]=4 12392 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Br 527a_100020629032_100000188424 [0,1,0,1,0,0|2,0,0]=4 12393 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Cl 11a_100020629032_100000185844 [0,1,0,1,0,0|2,0,0]=4 12394 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Cl 1626a_100020629032_100000185844 [0,1,0,1,0,0|2,0,0]=4 12395 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Cl 240690a_100020629032_100000185844 [0,1,0,1,0,0|2,0,0]=4 12396 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2Cl 527a_100020629032_100000185844 [0,1,0,1,0,0|2,0,0]=4 12397 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2F 11a_100020629032_100000188656 [0,1,0,1,0,0|2,0,0]=4 12398 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2F 1626a_100020629032_100000188656 [0,1,0,1,0,0|2,0,0]=4 12399 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2F 240690a_100020629032_100000188656 [0,1,0,1,0,0|2,0,0]=4 12400 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2F 527a_100020629032_100000188656 [0,1,0,1,0,0|2,0,0]=4 12401 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2I 11a_100020629032_100000187884 [0,1,0,1,0,0|2,0,0]=4 12402 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2I 1626a_100020629032_100000187884 [0,1,0,1,0,0|2,0,0]=4 12403 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2I 240690a_100020629032_100000187884 [0,1,0,1,0,0|2,0,0]=4 12404 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2I 527a_100020629032_100000187884 [0,1,0,1,0,0|2,0,0]=4 12405 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2O 240690a_100020629032_100015234032 [0,1,0,1,0,0|2,0,0]=4 12406 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2[O-] 1626a_100020629032_100009911694 [0,1,0,1,0,0|2,0,0]=4 12407 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2[O-] 240690a_100020629032_100009911694 [0,1,0,1,0,0|2,0,0]=4 12408 B16R2.12487 O=C(N[C@H]1C[C@@H](C1)O)c2ccccc2[O-] 527a_100020629032_100009911694 [0,1,0,1,0,0|2,0,0]=4 12409 B16R2.14697 CC(OCC1CC1C)c2ccccc2Cl 7a_100000744939_100000181259 [0,1,0,1,0,0|1,0,1]=4 12410 B16R2.14697 CC(OCC1CC1C)c2ccccc2F 34a_100000744939_200000741388 [0,1,0,1,0,0|1,0,1]=4 12411 B16R2.14697 CC(OCC1CC1C)c2ccccc2F 7a_100000744939_200000741388 [0,1,0,1,0,0|1,0,1]=4 12412 B16R2.22604 CC(OCCC1CC1)c2ccccc2Br 34a_100000702211_100000694398 [0,1,0,1,0,0|1,0,1]=4 12413 B16R2.22604 CC(OCCC1CC1)c2ccccc2Br 7a_100000702211_100000764125 [0,1,0,1,0,0|1,0,1]=4 12414 B16R2.22604 CC(OCCC1CC1)c2ccccc2Cl 34a_100000740796_100000694398 [0,1,0,1,0,0|1,0,1]=4 12415 B16R2.22604 CC(OCCC1CC1)c2ccccc2Cl 7a_100000740796_100000764125 [0,1,0,1,0,0|1,0,1]=4 12416 B16R2.22604 CC(OCCC1CC1)c2ccccc2Cl 7a_100000754188_100000181259 [0,1,0,1,0,0|1,0,1]=4 12417 B16R2.22604 CC(OCCC1CC1)c2ccccc2F 34a_100000697922_100000694398 [0,1,0,1,0,0|1,0,1]=4 12418 B16R2.22604 CC(OCCC1CC1)c2ccccc2F 34a_100000754188_200000741388 [0,1,0,1,0,0|1,0,1]=4 12419 B16R2.22604 CC(OCCC1CC1)c2ccccc2F 7a_100000697922_100000764125 [0,1,0,1,0,0|1,0,1]=4 12420 B16R2.22604 CC(OCCC1CC1)c2ccccc2F 7a_100000754188_200000741388 [0,1,0,1,0,0|1,0,1]=4 12421 B16R2.22604 CC(OCCC1CC1)c2ccccc2N 7a_100011405641_100000764125 [0,1,0,1,0,0|1,0,1]=4 12422 B16R2.22604 Cc1ccccc1C(=O)CCCC2CO2 1458a_100000212026_100000733510 [0,1,0,1,0,0|2,0,0]=4 12423 B16R2.22604 Cc1ccccc1C(=O)CNCC2CC2 2230a_100000735609_100000741374 [0,1,0,1,0,0|2,0,0]=4 12424 B16R2.22604 Cc1ccccc1C(=O)CNCC2CC2 34a_100000735609_100000741374 [0,1,0,1,0,0|2,0,0]=4 12425 B16R2.22604 Cc1ccccc1C(=O)COCC2CC2 34a_100000211283_100000741374 [0,1,0,1,0,0|2,0,0]=4 12426 B16R2.22604 Cc1ccccc1C(=O)CSCC2CC2 62a_100000741374_100000742324 [0,1,0,1,0,0|2,0,0]=4 12427 B16R2.22604 Cc1ccccc1C(=O)CSCC2CC2 62a_100000756562_100000741374 [0,1,0,1,0,0|2,0,0]=4 12428 B16R2.22604 Cc1ccccc1C(=O)NCCC2CC2 1626a_100000764129_100000212026 [0,1,0,1,0,0|1,0,0]=3 12429 B16R2.22604 Cc1ccccc1C(=O)NCCC2CC2 240690a_100000764129_100000212026 [0,1,0,1,0,0|1,0,0]=3 12430 B16R2.22604 Cc1ccccc1C(=O)NCCC2CC2 527a_100000764129_100000212026 [0,1,0,1,0,0|1,0,0]=3 12431 B16R2.22604 Cc1ccccc1C(=O)NNCC2CC2 22a_100000736359_100000212026 [0,1,0,1,0,0|2,0,0]=4 12432 B16R2.22604 Cc1ccccc1C(C)OCCC2CC2 34a_100000742021_100000694398 [0,1,0,1,0,0|1,0,1]=4 12433 B16R2.22604 Cc1ccccc1C(C)OCCC2CC2 7a_100000742021_100000764125 [0,1,0,1,0,0|1,0,1]=4 12434 B16R2.22604 O=C(CCCC1CO1)c2ccccc2Br 1458a_100000188424_100000733510 [0,1,0,1,0,0|2,0,0]=4 12435 B16R2.22604 O=C(CCCC1CO1)c2ccccc2Cl 1458a_100000185844_100000733510 [0,1,0,1,0,0|2,0,0]=4 12436 B16R2.22604 O=C(CCCC1CO1)c2ccccc2F 1458a_100000188656_100000733510 [0,1,0,1,0,0|2,0,0]=4 12437 B16R2.22604 O=C(CCCC1CO1)c2ccccc2I 1458a_100000187884_100000733510 [0,1,0,1,0,0|2,0,0]=4 12438 B16R2.22604 O=C(CCCC1CO1)c2ccccc2O 1458a_100015234032_100000733510 [0,1,0,1,0,0|2,0,0]=4 12439 B16R2.22604 O=C(CCCC1CO1)c2ccccc2[O-] 1458a_100009911694_100000733510 [0,1,0,1,0,0|2,0,0]=4 12440 B16R2.22604 O=C(CCSC1CC1)c2ccccc2F 62a_100000086012_100000211595 [0,1,0,1,0,0|2,0,0]=4 12441 B16R2.22604 O=C(CNCC1CC1)c2ccccc2Br 34a_100000735609_100000199116 [0,1,0,1,0,0|2,0,0]=4 12442 B16R2.22604 O=C(CNCC1CC1)c2ccccc2Cl 34a_100000735609_100000211432 [0,1,0,1,0,0|2,0,0]=4 12443 B16R2.22604 O=C(CNCC1CC1)c2ccccc2F 34a_100000735609_100000204681 [0,1,0,1,0,0|2,0,0]=4 12444 B16R2.22604 O=C(COCC1CC1)c2ccccc2Br 34a_100000211283_100000199116 [0,1,0,1,0,0|2,0,0]=4 12445 B16R2.22604 O=C(COCC1CC1)c2ccccc2Cl 34a_100000211283_100000211432 [0,1,0,1,0,0|2,0,0]=4 12446 B16R2.22604 O=C(COCC1CC1)c2ccccc2F 34a_100000211283_100000204681 [0,1,0,1,0,0|2,0,0]=4 12447 B16R2.22604 O=C(CSCC1CC1)c2ccccc2Br 62a_100000199116_100000742324 [0,1,0,1,0,0|2,0,0]=4 12448 B16R2.22604 O=C(CSCC1CC1)c2ccccc2Cl 62a_100000211432_100000742324 [0,1,0,1,0,0|2,0,0]=4 12449 B16R2.22604 O=C(CSCC1CC1)c2ccccc2Cl 62a_100000756562_100000211432 [0,1,0,1,0,0|2,0,0]=4 12450 B16R2.22604 O=C(CSCC1CC1)c2ccccc2F 62a_100000204681_100000742324 [0,1,0,1,0,0|2,0,0]=4 12451 B16R2.22604 O=C(CSCC1CC1)c2ccccc2F 62a_100000756562_100000204681 [0,1,0,1,0,0|2,0,0]=4 12452 B16R2.22604 O=C(CSCC1CC1)c2ccccc2O 62a_100000188908_100000742324 [0,1,0,1,0,0|2,0,0]=4 12453 B16R2.22604 O=C(CSCC1CC1)c2ccccc2O 62a_100000756562_100000188908 [0,1,0,1,0,0|2,0,0]=4 12454 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Br 1626a_100000764129_100000188424 [0,1,0,1,0,0|1,0,0]=3 12455 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Br 240690a_100000764129_100000188424 [0,1,0,1,0,0|1,0,0]=3 12456 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Br 527a_100000764129_100000188424 [0,1,0,1,0,0|1,0,0]=3 12457 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Cl 1626a_100000764129_100000185844 [0,1,0,1,0,0|1,0,0]=3 12458 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Cl 240690a_100000764129_100000185844 [0,1,0,1,0,0|1,0,0]=3 12459 B16R2.22604 O=C(NCCC1CC1)c2ccccc2Cl 527a_100000764129_100000185844 [0,1,0,1,0,0|1,0,0]=3 12460 B16R2.22604 O=C(NCCC1CC1)c2ccccc2F 1626a_100000764129_100000188656 [0,1,0,1,0,0|1,0,0]=3 12461 B16R2.22604 O=C(NCCC1CC1)c2ccccc2F 240690a_100000764129_100000188656 [0,1,0,1,0,0|1,0,0]=3 12462 B16R2.22604 O=C(NCCC1CC1)c2ccccc2F 527a_100000764129_100000188656 [0,1,0,1,0,0|1,0,0]=3 12463 B16R2.22604 O=C(NCCC1CC1)c2ccccc2I 1626a_100000764129_100000187884 [0,1,0,1,0,0|1,0,0]=3 12464 B16R2.22604 O=C(NCCC1CC1)c2ccccc2I 240690a_100000764129_100000187884 [0,1,0,1,0,0|1,0,0]=3 12465 B16R2.22604 O=C(NCCC1CC1)c2ccccc2I 527a_100000764129_100000187884 [0,1,0,1,0,0|1,0,0]=3 12466 B16R2.22604 O=C(NCCC1CC1)c2ccccc2O 240690a_100000764129_100015234032 [0,1,0,1,0,0|1,0,0]=3 12467 B16R2.22604 O=C(NCCC1CC1)c2ccccc2[O-] 1626a_100000764129_100009911694 [0,1,0,1,0,0|1,0,0]=3 12468 B16R2.22604 O=C(NCCC1CC1)c2ccccc2[O-] 240690a_100000764129_100009911694 [0,1,0,1,0,0|1,0,0]=3 12469 B16R2.22604 O=C(NCCC1CC1)c2ccccc2[O-] 527a_100000764129_100009911694 [0,1,0,1,0,0|1,0,0]=3 12470 B16R2.22604 O=C(NNCC1CC1)c2ccccc2Br 22a_100000736359_100000188424 [0,1,0,1,0,0|2,0,0]=4 12471 B16R2.22604 O=C(NNCC1CC1)c2ccccc2Cl 22a_100000736359_100000185844 [0,1,0,1,0,0|2,0,0]=4 12472 B16R2.22604 O=C(NNCC1CC1)c2ccccc2F 22a_100000736359_100000188656 [0,1,0,1,0,0|2,0,0]=4 12473 B16R2.22604 O=C(NNCC1CC1)c2ccccc2I 22a_100000736359_100000187884 [0,1,0,1,0,0|2,0,0]=4 12474 B16R2.22604 O=C(NNCC1CC1)c2ccccc2O 22a_100000736359_100015234032 [0,1,0,1,0,0|2,0,0]=4 12475 B16R2.22604 O=C(NNCC1CC1)c2ccccc2[O-] 22a_100000736359_100009911694 [0,1,0,1,0,0|2,0,0]=4 12476 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Br 11a_100016987628_100000210664 [0,1,0,1,0,0|1,0,0]=3 12477 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Br 240690a_100016987628_100000210664 [0,1,0,1,0,0|1,0,0]=3 12478 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Br 527a_100016987628_100000210664 [0,1,0,1,0,0|1,0,0]=3 12479 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Cl 11a_100016987628_100000210390 [0,1,0,1,0,0|1,0,0]=3 12480 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Cl 240690a_100016987628_100000210390 [0,1,0,1,0,0|1,0,0]=3 12481 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)Cl 527a_100016987628_100000210390 [0,1,0,1,0,0|1,0,0]=3 12482 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)F 11a_100016987628_100000210950 [0,1,0,1,0,0|1,0,0]=3 12483 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)F 240690a_100016987628_100000210950 [0,1,0,1,0,0|1,0,0]=3 12484 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)F 527a_100016987628_100000210950 [0,1,0,1,0,0|1,0,0]=3 12485 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)I 11a_100016987628_100000184098 [0,1,0,1,0,0|1,0,0]=3 12486 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)I 240690a_100016987628_100000184098 [0,1,0,1,0,0|1,0,0]=3 12487 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)I 527a_100016987628_100000184098 [0,1,0,1,0,0|1,0,0]=3 12488 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)O 240690a_100016987628_100000183914 [0,1,0,1,0,0|1,0,0]=3 12489 B16R2.237 C[C@@H]1CCN(C1)C(=O)c2cccc(c2)O 527a_100016987628_100000183914 [0,1,0,1,0,0|1,0,0]=3 12490 B16R2.237 Cc1cccc(c1)C(=O)N2CCC(C2)O 240690a_100011215560_100000189346 [0,1,0,1,0,0|2,0,0]=4 12491 B16R2.237 Cc1cccc(c1)C(=O)N2CCC(C2)O 527a_100011215560_100000189346 [0,1,0,1,0,0|2,0,0]=4 12492 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@@H](C2)F 11a_100015203821_100000189346 [0,1,0,1,0,0|2,0,0]=4 12493 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@@H](C2)F 1626a_100015203821_100000189346 [0,1,0,1,0,0|2,0,0]=4 12494 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@@H](C2)F 240690a_100015203821_100000189346 [0,1,0,1,0,0|2,0,0]=4 12495 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@@H](C2)F 527a_100015203821_100000189346 [0,1,0,1,0,0|2,0,0]=4 12496 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@H](C2)C 11a_100016987628_100000189346 [0,1,0,1,0,0|1,0,0]=3 12497 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@H](C2)C 240690a_100016987628_100000189346 [0,1,0,1,0,0|1,0,0]=3 12498 B16R2.237 Cc1cccc(c1)C(=O)N2CC[C@H](C2)C 527a_100016987628_100000189346 [0,1,0,1,0,0|1,0,0]=3 12499 B16R2.237 O=C(c1cccc(c1)Br)N2CCC(C2)O 240690a_100011215560_100000210664 [0,1,0,1,0,0|2,0,0]=4 12500 B16R2.237 O=C(c1cccc(c1)Br)N2CCC(C2)O 527a_100011215560_100000210664 [0,1,0,1,0,0|2,0,0]=4 12501 B16R2.237 O=C(c1cccc(c1)Br)N2CC[C@@H](C2)F 11a_100015203821_100000210664 [0,1,0,1,0,0|2,0,0]=4 12502 B16R2.237 O=C(c1cccc(c1)Br)N2CC[C@@H](C2)F 1626a_100015203821_100000210664 [0,1,0,1,0,0|2,0,0]=4 12503 B16R2.237 O=C(c1cccc(c1)Br)N2CC[C@@H](C2)F 240690a_100015203821_100000210664 [0,1,0,1,0,0|2,0,0]=4 12504 B16R2.237 O=C(c1cccc(c1)Br)N2CC[C@@H](C2)F 527a_100015203821_100000210664 [0,1,0,1,0,0|2,0,0]=4 12505 B16R2.237 O=C(c1cccc(c1)Cl)N2CCC(C2)O 240690a_100011215560_100000210390 [0,1,0,1,0,0|2,0,0]=4 12506 B16R2.237 O=C(c1cccc(c1)Cl)N2CCC(C2)O 527a_100011215560_100000210390 [0,1,0,1,0,0|2,0,0]=4 12507 B16R2.237 O=C(c1cccc(c1)Cl)N2CC[C@@H](C2)F 11a_100015203821_100000210390 [0,1,0,1,0,0|2,0,0]=4 12508 B16R2.237 O=C(c1cccc(c1)Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000210390 [0,1,0,1,0,0|2,0,0]=4 12509 B16R2.237 O=C(c1cccc(c1)Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000210390 [0,1,0,1,0,0|2,0,0]=4 12510 B16R2.237 O=C(c1cccc(c1)Cl)N2CC[C@@H](C2)F 527a_100015203821_100000210390 [0,1,0,1,0,0|2,0,0]=4 12511 B16R2.237 O=C(c1cccc(c1)F)N2CCC(C2)O 240690a_100011215560_100000210950 [0,1,0,1,0,0|2,0,0]=4 12512 B16R2.237 O=C(c1cccc(c1)F)N2CCC(C2)O 527a_100011215560_100000210950 [0,1,0,1,0,0|2,0,0]=4 12513 B16R2.237 O=C(c1cccc(c1)F)N2CC[C@@H](C2)F 11a_100015203821_100000210950 [0,1,0,1,0,0|2,0,0]=4 12514 B16R2.237 O=C(c1cccc(c1)F)N2CC[C@@H](C2)F 1626a_100015203821_100000210950 [0,1,0,1,0,0|2,0,0]=4 12515 B16R2.237 O=C(c1cccc(c1)F)N2CC[C@@H](C2)F 240690a_100015203821_100000210950 [0,1,0,1,0,0|2,0,0]=4 12516 B16R2.237 O=C(c1cccc(c1)F)N2CC[C@@H](C2)F 527a_100015203821_100000210950 [0,1,0,1,0,0|2,0,0]=4 12517 B16R2.237 O=C(c1cccc(c1)I)N2CCC(C2)O 240690a_100011215560_100000184098 [0,1,0,1,0,0|2,0,0]=4 12518 B16R2.237 O=C(c1cccc(c1)I)N2CCC(C2)O 527a_100011215560_100000184098 [0,1,0,1,0,0|2,0,0]=4 12519 B16R2.237 O=C(c1cccc(c1)I)N2CC[C@@H](C2)F 11a_100015203821_100000184098 [0,1,0,1,0,0|2,0,0]=4 12520 B16R2.237 O=C(c1cccc(c1)I)N2CC[C@@H](C2)F 1626a_100015203821_100000184098 [0,1,0,1,0,0|2,0,0]=4 12521 B16R2.237 O=C(c1cccc(c1)I)N2CC[C@@H](C2)F 240690a_100015203821_100000184098 [0,1,0,1,0,0|2,0,0]=4 12522 B16R2.237 O=C(c1cccc(c1)I)N2CC[C@@H](C2)F 527a_100015203821_100000184098 [0,1,0,1,0,0|2,0,0]=4 12523 B16R2.237 O=C(c1cccc(c1)O)N2CCC(C2)O 240690a_100011215560_100000183914 [0,1,0,1,0,0|2,0,0]=4 12524 B16R2.237 O=C(c1cccc(c1)O)N2CCC(C2)O 527a_100011215560_100000183914 [0,1,0,1,0,0|2,0,0]=4 12525 B16R2.237 O=C(c1cccc(c1)O)N2CC[C@@H](C2)F 240690a_100015203821_100000183914 [0,1,0,1,0,0|2,0,0]=4 12526 B16R2.237 O=C(c1cccc(c1)O)N2CC[C@@H](C2)F 527a_100015203821_100000183914 [0,1,0,1,0,0|2,0,0]=4 12527 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Br 2230a_100000702820_100000212080 [0,1,0,1,0,0|2,0,0]=4 12528 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Br 269982a_100000702820_100000212080 [0,1,0,1,0,0|2,0,0]=4 12529 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Br 34a_100000702820_100000212080 [0,1,0,1,0,0|2,0,0]=4 12530 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Cl 2230a_100000702820_100000211444 [0,1,0,1,0,0|2,0,0]=4 12531 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Cl 269982a_100000702820_100000211444 [0,1,0,1,0,0|2,0,0]=4 12532 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)Cl 34a_100000702820_100000211444 [0,1,0,1,0,0|2,0,0]=4 12533 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)F 2230a_100000702820_100000215616 [0,1,0,1,0,0|2,0,0]=4 12534 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)F 269982a_100000702820_100000215616 [0,1,0,1,0,0|2,0,0]=4 12535 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)F 34a_100000702820_100000215616 [0,1,0,1,0,0|2,0,0]=4 12536 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)O 269982a_100000702820_100009813753 [0,1,0,1,0,0|2,0,0]=4 12537 B16R2.25704 CC1CN(C1)CC(=O)c2cccc(c2)O 34a_100000702820_100009813753 [0,1,0,1,0,0|2,0,0]=4 12538 B16R2.25704 CN1CC(C1)NC(=O)c2cccc(c2)Br 240690a_100015196640_100000210664 [0,1,0,1,0,0|2,0,0]=4 12539 B16R2.25704 CN1CC(C1)NC(=O)c2cccc(c2)Cl 240690a_100015196640_100000210390 [0,1,0,1,0,0|2,0,0]=4 12540 B16R2.25704 CN1CC(C1)NC(=O)c2cccc(c2)F 240690a_100015196640_100000210950 [0,1,0,1,0,0|2,0,0]=4 12541 B16R2.25704 CN1CC(C1)NC(=O)c2cccc(c2)I 240690a_100015196640_100000184098 [0,1,0,1,0,0|2,0,0]=4 12542 B16R2.25704 CN1CC(C1)NC(=O)c2cccc(c2)O 240690a_100015196640_100000183914 [0,1,0,1,0,0|2,0,0]=4 12543 B16R2.25704 Cc1cccc(c1)C(=O)CN2CC(C2)C 2230a_100000702820_100000739480 [0,1,0,1,0,0|2,0,0]=4 12544 B16R2.25704 Cc1cccc(c1)C(=O)CN2CC(C2)C 269982a_100000702820_100000739480 [0,1,0,1,0,0|2,0,0]=4 12545 B16R2.25704 Cc1cccc(c1)C(=O)CN2CC(C2)C 34a_100000702820_100000739480 [0,1,0,1,0,0|2,0,0]=4 12546 B16R2.25704 Cc1cccc(c1)C(=O)NC2CC(C2)F 11a_100016993743_100000189346 [0,1,0,1,0,0|2,0,0]=4 12547 B16R2.25704 Cc1cccc(c1)C(=O)NC2CC(C2)F 1626a_100016993743_100000189346 [0,1,0,1,0,0|2,0,0]=4 12548 B16R2.25704 Cc1cccc(c1)C(=O)NC2CC(C2)F 240690a_100016993743_100000189346 [0,1,0,1,0,0|2,0,0]=4 12549 B16R2.25704 Cc1cccc(c1)C(=O)NC2CC(C2)F 527a_100016993743_100000189346 [0,1,0,1,0,0|2,0,0]=4 12550 B16R2.25704 Cc1cccc(c1)C(=O)NC2CN(C2)C 240690a_100015196640_100000189346 [0,1,0,1,0,0|2,0,0]=4 12551 B16R2.25704 Cc1cccc(c1)C(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000189346 [0,1,0,1,0,0|2,0,0]=4 12552 B16R2.25704 Cc1cccc(c1)C(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000189346 [0,1,0,1,0,0|2,0,0]=4 12553 B16R2.25704 Cc1cccc(c1)C(=O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000189346 [0,1,0,1,0,0|2,0,0]=4 12554 B16R2.25704 Cc1cccc(c1)C(=O)N[C@H]2C[C@@H](C2)O 527a_100020629032_100000189346 [0,1,0,1,0,0|2,0,0]=4 12555 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Br 11a_100016993743_100000210664 [0,1,0,1,0,0|2,0,0]=4 12556 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Br 1626a_100016993743_100000210664 [0,1,0,1,0,0|2,0,0]=4 12557 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Br 240690a_100016993743_100000210664 [0,1,0,1,0,0|2,0,0]=4 12558 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Br 527a_100016993743_100000210664 [0,1,0,1,0,0|2,0,0]=4 12559 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Cl 11a_100016993743_100000210390 [0,1,0,1,0,0|2,0,0]=4 12560 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Cl 1626a_100016993743_100000210390 [0,1,0,1,0,0|2,0,0]=4 12561 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Cl 240690a_100016993743_100000210390 [0,1,0,1,0,0|2,0,0]=4 12562 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)Cl 527a_100016993743_100000210390 [0,1,0,1,0,0|2,0,0]=4 12563 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)F 11a_100016993743_100000210950 [0,1,0,1,0,0|2,0,0]=4 12564 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)F 1626a_100016993743_100000210950 [0,1,0,1,0,0|2,0,0]=4 12565 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)F 240690a_100016993743_100000210950 [0,1,0,1,0,0|2,0,0]=4 12566 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)F 527a_100016993743_100000210950 [0,1,0,1,0,0|2,0,0]=4 12567 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)I 11a_100016993743_100000184098 [0,1,0,1,0,0|2,0,0]=4 12568 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)I 1626a_100016993743_100000184098 [0,1,0,1,0,0|2,0,0]=4 12569 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)I 240690a_100016993743_100000184098 [0,1,0,1,0,0|2,0,0]=4 12570 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)I 527a_100016993743_100000184098 [0,1,0,1,0,0|2,0,0]=4 12571 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)O 240690a_100016993743_100000183914 [0,1,0,1,0,0|2,0,0]=4 12572 B16R2.25704 O=C(NC1CC(C1)F)c2cccc(c2)O 527a_100016993743_100000183914 [0,1,0,1,0,0|2,0,0]=4 12573 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Br 11a_100020629032_100000210664 [0,1,0,1,0,0|2,0,0]=4 12574 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Br 1626a_100020629032_100000210664 [0,1,0,1,0,0|2,0,0]=4 12575 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Br 240690a_100020629032_100000210664 [0,1,0,1,0,0|2,0,0]=4 12576 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Br 527a_100020629032_100000210664 [0,1,0,1,0,0|2,0,0]=4 12577 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Cl 11a_100020629032_100000210390 [0,1,0,1,0,0|2,0,0]=4 12578 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Cl 1626a_100020629032_100000210390 [0,1,0,1,0,0|2,0,0]=4 12579 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Cl 240690a_100020629032_100000210390 [0,1,0,1,0,0|2,0,0]=4 12580 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)Cl 527a_100020629032_100000210390 [0,1,0,1,0,0|2,0,0]=4 12581 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)F 11a_100020629032_100000210950 [0,1,0,1,0,0|2,0,0]=4 12582 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)F 1626a_100020629032_100000210950 [0,1,0,1,0,0|2,0,0]=4 12583 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)F 240690a_100020629032_100000210950 [0,1,0,1,0,0|2,0,0]=4 12584 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)F 527a_100020629032_100000210950 [0,1,0,1,0,0|2,0,0]=4 12585 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)I 11a_100020629032_100000184098 [0,1,0,1,0,0|2,0,0]=4 12586 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)I 1626a_100020629032_100000184098 [0,1,0,1,0,0|2,0,0]=4 12587 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)I 240690a_100020629032_100000184098 [0,1,0,1,0,0|2,0,0]=4 12588 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)I 527a_100020629032_100000184098 [0,1,0,1,0,0|2,0,0]=4 12589 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)O 240690a_100020629032_100000183914 [0,1,0,1,0,0|2,0,0]=4 12590 B16R2.25704 O=C(N[C@H]1C[C@@H](C1)O)c2cccc(c2)O 527a_100020629032_100000183914 [0,1,0,1,0,0|2,0,0]=4 12591 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)Br 34a_100000246457_100000694398 [0,1,0,1,0,0|1,0,1]=4 12592 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)Br 7a_100000246457_100000764125 [0,1,0,1,0,0|1,0,1]=4 12593 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)F 34a_100000744526_100000694398 [0,1,0,1,0,0|1,0,1]=4 12594 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)F 7a_100000744526_100000764125 [0,1,0,1,0,0|1,0,1]=4 12595 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)I 34a_100013085317_100000694398 [0,1,0,1,0,0|1,0,1]=4 12596 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)I 7a_100013085317_100000764125 [0,1,0,1,0,0|1,0,1]=4 12597 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)N 34a_100011217120_100000694398 [0,1,0,1,0,0|1,0,1]=4 12598 B16R2.136657 CC(OCCC1CC1)c2cccc(c2)N 7a_100011217120_100000764125 [0,1,0,1,0,0|1,0,1]=4 12599 B16R2.136657 C[C@@H](OCCC1CC1)c2cccc(c2)Cl 34a_100000747380_100000694398 [0,1,0,1,0,0|1,0,1]=4 12600 B16R2.136657 C[C@@H](OCCC1CC1)c2cccc(c2)Cl 7a_100000747380_100000764125 [0,1,0,1,0,0|1,0,1]=4 12601 B16R2.136657 Cc1cccc(c1)C(=O)CCCC2CO2 1458a_100000189346_100000733510 [0,1,0,1,0,0|2,0,0]=4 12602 B16R2.136657 Cc1cccc(c1)C(=O)CNCC2CC2 2230a_100000735609_100000739480 [0,1,0,1,0,0|2,0,0]=4 12603 B16R2.136657 Cc1cccc(c1)C(=O)CNCC2CC2 34a_100000735609_100000739480 [0,1,0,1,0,0|2,0,0]=4 12604 B16R2.136657 Cc1cccc(c1)C(=O)COCC2CC2 34a_100000211283_100000739480 [0,1,0,1,0,0|2,0,0]=4 12605 B16R2.136657 Cc1cccc(c1)C(=O)CSCC2CC2 62a_100000739480_100000742324 [0,1,0,1,0,0|2,0,0]=4 12606 B16R2.136657 Cc1cccc(c1)C(=O)CSCC2CC2 62a_100000756562_100000739480 [0,1,0,1,0,0|2,0,0]=4 12607 B16R2.136657 Cc1cccc(c1)C(=O)NCCC2CC2 1626a_100000764129_100000189346 [0,1,0,1,0,0|1,0,0]=3 12608 B16R2.136657 Cc1cccc(c1)C(=O)NCCC2CC2 240690a_100000764129_100000189346 [0,1,0,1,0,0|1,0,0]=3 12609 B16R2.136657 Cc1cccc(c1)C(=O)NCCC2CC2 527a_100000764129_100000189346 [0,1,0,1,0,0|1,0,0]=3 12610 B16R2.136657 Cc1cccc(c1)C(=O)NNCC2CC2 22a_100000736359_100000189346 [0,1,0,1,0,0|2,0,0]=4 12611 B16R2.136657 Cc1cccc(c1)C(C)OCCC2CC2 34a_100000757818_100000694398 [0,1,0,1,0,0|1,0,1]=4 12612 B16R2.136657 Cc1cccc(c1)C(C)OCCC2CC2 7a_100000757818_100000764125 [0,1,0,1,0,0|1,0,1]=4 12613 B16R2.136657 O=C(CCCC1CO1)c2cccc(c2)Br 1458a_100000210664_100000733510 [0,1,0,1,0,0|2,0,0]=4 12614 B16R2.136657 O=C(CCCC1CO1)c2cccc(c2)Cl 1458a_100000210390_100000733510 [0,1,0,1,0,0|2,0,0]=4 12615 B16R2.136657 O=C(CCCC1CO1)c2cccc(c2)F 1458a_100000210950_100000733510 [0,1,0,1,0,0|2,0,0]=4 12616 B16R2.136657 O=C(CCCC1CO1)c2cccc(c2)I 1458a_100000184098_100000733510 [0,1,0,1,0,0|2,0,0]=4 12617 B16R2.136657 O=C(CCCC1CO1)c2cccc(c2)O 1458a_100000183914_100000733510 [0,1,0,1,0,0|2,0,0]=4 12618 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)Br 2230a_100000735609_100000212080 [0,1,0,1,0,0|2,0,0]=4 12619 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)Br 34a_100000735609_100000212080 [0,1,0,1,0,0|2,0,0]=4 12620 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)Cl 2230a_100000735609_100000211444 [0,1,0,1,0,0|2,0,0]=4 12621 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)Cl 34a_100000735609_100000211444 [0,1,0,1,0,0|2,0,0]=4 12622 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)F 2230a_100000735609_100000215616 [0,1,0,1,0,0|2,0,0]=4 12623 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)F 34a_100000735609_100000215616 [0,1,0,1,0,0|2,0,0]=4 12624 B16R2.136657 O=C(CNCC1CC1)c2cccc(c2)O 34a_100000735609_100009813753 [0,1,0,1,0,0|2,0,0]=4 12625 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)Br 34a_100000211283_100000212080 [0,1,0,1,0,0|2,0,0]=4 12626 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)Cl 34a_100000211283_100000211444 [0,1,0,1,0,0|2,0,0]=4 12627 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)Cl 7a_200011592804_100000742324 [0,1,0,1,0,0|2,0,0]=4 12628 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)F 34a_100000211283_100000215616 [0,1,0,1,0,0|2,0,0]=4 12629 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)F 34a_100011592800_100000742324 [0,1,0,1,0,0|2,0,0]=4 12630 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)F 7a_100011592800_100000742324 [0,1,0,1,0,0|2,0,0]=4 12631 B16R2.136657 O=C(COCC1CC1)c2cccc(c2)O 34a_100000211283_100009813753 [0,1,0,1,0,0|2,0,0]=4 12632 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)Br 62a_100000212080_100000742324 [0,1,0,1,0,0|2,0,0]=4 12633 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)Br 62a_100000756562_100000212080 [0,1,0,1,0,0|2,0,0]=4 12634 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)Cl 62a_100000211444_100000742324 [0,1,0,1,0,0|2,0,0]=4 12635 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)Cl 62a_100000756562_100000211444 [0,1,0,1,0,0|2,0,0]=4 12636 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)F 62a_100000215616_100000742324 [0,1,0,1,0,0|2,0,0]=4 12637 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)F 62a_100000756562_100000215616 [0,1,0,1,0,0|2,0,0]=4 12638 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)O 62a_100000756562_100009813753 [0,1,0,1,0,0|2,0,0]=4 12639 B16R2.136657 O=C(CSCC1CC1)c2cccc(c2)O 62a_100009813753_100000742324 [0,1,0,1,0,0|2,0,0]=4 12640 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Br 1626a_100000764129_100000210664 [0,1,0,1,0,0|1,0,0]=3 12641 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Br 240690a_100000764129_100000210664 [0,1,0,1,0,0|1,0,0]=3 12642 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Br 527a_100000764129_100000210664 [0,1,0,1,0,0|1,0,0]=3 12643 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Cl 1626a_100000764129_100000210390 [0,1,0,1,0,0|1,0,0]=3 12644 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Cl 240690a_100000764129_100000210390 [0,1,0,1,0,0|1,0,0]=3 12645 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)Cl 527a_100000764129_100000210390 [0,1,0,1,0,0|1,0,0]=3 12646 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)F 1626a_100000764129_100000210950 [0,1,0,1,0,0|1,0,0]=3 12647 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)F 240690a_100000764129_100000210950 [0,1,0,1,0,0|1,0,0]=3 12648 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)F 527a_100000764129_100000210950 [0,1,0,1,0,0|1,0,0]=3 12649 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)I 1626a_100000764129_100000184098 [0,1,0,1,0,0|1,0,0]=3 12650 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)I 240690a_100000764129_100000184098 [0,1,0,1,0,0|1,0,0]=3 12651 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)I 527a_100000764129_100000184098 [0,1,0,1,0,0|1,0,0]=3 12652 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)O 240690a_100000764129_100000183914 [0,1,0,1,0,0|1,0,0]=3 12653 B16R2.136657 O=C(NCCC1CC1)c2cccc(c2)O 527a_100000764129_100000183914 [0,1,0,1,0,0|1,0,0]=3 12654 B16R2.136657 O=C(NNCC1CC1)c2cccc(c2)Br 22a_100000736359_100000210664 [0,1,0,1,0,0|2,0,0]=4 12655 B16R2.136657 O=C(NNCC1CC1)c2cccc(c2)Cl 22a_100000736359_100000210390 [0,1,0,1,0,0|2,0,0]=4 12656 B16R2.136657 O=C(NNCC1CC1)c2cccc(c2)F 22a_100000736359_100000210950 [0,1,0,1,0,0|2,0,0]=4 12657 B16R2.136657 O=C(NNCC1CC1)c2cccc(c2)I 22a_100000736359_100000184098 [0,1,0,1,0,0|2,0,0]=4 12658 B16R2.136657 O=C(NNCC1CC1)c2cccc(c2)O 22a_100000736359_100000183914 [0,1,0,1,0,0|2,0,0]=4 12659 B16R2.45200 CC(C)(C)NC1CC(=O)c2c1cccc2 2230a_100000715429_100010208147 [0,1,0,1,0,0|2,0,0]=4 12660 B16R2.45200 CC(C)(C)NC1OC(=O)c2c1cccc2 2230a_100000715429_100009813457 [0,1,0,1,0,0|1,0,0]=3 12661 B16R2.45200 CC(C)(C)OC1CC(=O)c2c1cccc2 7a_100015890283_100010208147 [0,1,0,1,0,0|2,0,0]=4 12662 B16R2.45200 CC(C)(C)SC1CC(=O)c2c1cccc2 62a_100000211941_100010208147 [0,1,0,1,0,0|2,0,0]=4 12663 B16R2.45200 CC(C)(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000211941 [0,1,0,1,0,0|2,0,0]=4 12664 B16R2.45200 CC(C)(C)SC1OC(=O)c2c1cccc2 62a_100000211941_100009813457 [0,1,0,1,0,0|1,0,0]=3 12665 B16R2.248476 CC(C)(C)CCOC1Cc2c1cccc2 7a_100000765024_100009813401 [0,1,0,1,0,0|1,0,1]=4 12666 B16R3.66140 O=C(c1ccccc1)N2CC3CC3C2 11a_100000741873_100000185807 [0,0,0,2,0,0|1,0,0]=3 12667 B16R3.66140 O=C(c1ccccc1)N2CC3CC3C2 1626a_100000741873_100000185807 [0,0,0,2,0,0|1,0,0]=3 12668 B16R3.66140 O=C(c1ccccc1)N2CC3CC3C2 240690a_100000741873_100000185807 [0,0,0,2,0,0|1,0,0]=3 12669 B16R3.66140 O=C(c1ccccc1)N2CC3CC3C2 527a_100000741873_100000185807 [0,0,0,2,0,0|1,0,0]=3 12670 B16R3.217850 O=C(NC12CC(C1)C2)c3ccccc3 11a_100016993715_100000185807 [0,0,0,2,0,0|1,0,0]=3 12671 B16R3.217850 O=C(NC12CC(C1)C2)c3ccccc3 1626a_100016993715_100000185807 [0,0,0,2,0,0|1,0,0]=3 12672 B16R3.217850 O=C(NC12CC(C1)C2)c3ccccc3 240690a_100016993715_100000185807 [0,0,0,2,0,0|1,0,0]=3 12673 B16R3.217850 O=C(NC12CC(C1)C2)c3ccccc3 527a_100016993715_100000185807 [0,0,0,2,0,0|1,0,0]=3 12674 B16R3.3666 CC1CC1COC2Cc3c2cccc3 7a_100000744939_100009813401 [0,0,0,2,0,0|1,0,1]=4 12675 B16R3.10 c1ccc2c(c1)CC2OCCC3CC3 7a_100000754188_100009813401 [0,0,0,2,0,0|1,0,1]=4 12676 B16R3.52767 O=C1CC(c2c1cccc2)SC3CC3 62a_100010208147_100000211595 [0,0,0,2,0,0|2,0,0]=4 12677 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [1,0,0,0,1,0|0,0,2]=4 12678 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [1,0,0,0,1,0|0,0,2]=4 12679 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [1,0,0,0,1,0|0,0,2]=4 12680 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [1,0,0,0,1,0|0,0,2]=4 12681 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,1,0|1,0,1]=4 12682 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,1,0|1,0,1]=4 12683 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,1,0|1,0,1]=4 12684 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [1,0,0,0,1,0|1,0,1]=4 12685 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,0,0,0,1,0|0,0,1]=3 12686 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [1,0,0,0,1,0|1,0,1]=4 12687 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [1,0,0,0,1,0|1,0,1]=4 12688 B12R1.252 CC(C)CC=Cc1ccncc1 271570a_100016259101_100000035832 [1,0,0,0,1,0|1,0,1]=4 12689 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [1,0,0,0,1,0|1,0,0]=3 12690 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [1,0,0,0,1,0|0,0,0]=2 12691 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [1,0,0,0,1,0|0,0,0]=2 12692 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [1,0,0,0,1,0|1,0,0]=3 12693 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [1,0,0,0,1,0|1,0,0]=3 12694 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [1,0,0,0,1,0|1,0,0]=3 12695 B12R1.252 CC(C)CCOc1ccnnc1 34a_100015204005_100000210312 [1,0,0,0,1,0|2,0,0]=4 12696 B12R1.252 CC(C)CCOc1cncnc1 7a_100000754086_100000210626 [1,0,0,0,1,0|2,0,0]=4 12697 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [1,0,0,0,1,0|0,1,0]=3 12698 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [1,0,0,0,1,0|0,1,0]=3 12699 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [1,0,0,0,1,0|1,1,0]=4 12700 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [1,0,0,0,1,0|1,1,0]=4 12701 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [1,0,0,0,1,0|1,1,0]=4 12702 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [1,0,0,0,1,0|1,1,0]=4 12703 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [1,0,0,0,1,0|1,1,0]=4 12704 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [1,0,0,0,1,0|1,1,0]=4 12705 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [1,0,0,0,1,0|1,0,1]=4 12706 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [1,0,0,0,1,0|1,0,1]=4 12707 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [1,0,0,0,1,0|1,0,1]=4 12708 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [1,0,0,0,1,0|1,0,1]=4 12709 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [1,0,0,0,1,0|1,0,1]=4 12710 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [1,0,0,0,1,0|1,0,1]=4 12711 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [1,0,0,0,1,0|1,0,1]=4 12712 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [1,0,0,0,1,0|0,0,1]=3 12713 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [1,0,0,0,1,0|0,0,1]=3 12714 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [1,0,0,0,1,0|0,0,1]=3 12715 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [1,0,0,0,1,0|1,0,1]=4 12716 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [1,0,0,0,1,0|1,0,1]=4 12717 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [1,0,0,0,1,0|0,1,1]=4 12718 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [1,0,0,0,1,0|0,1,1]=4 12719 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [1,0,0,0,1,0|1,0,1]=4 12720 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [1,0,0,0,1,0|1,0,1]=4 12721 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [1,0,0,0,1,0|1,0,1]=4 12722 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [1,0,0,0,1,0|1,0,1]=4 12723 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [1,0,0,0,1,0|1,1,0]=4 12724 B12R1.252 CC(C)NN=Cc1ccccc1 4a_100000741168_100015611070 [1,0,0,0,1,0|2,0,0]=4 12725 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [1,0,0,0,1,0|1,0,1]=4 12726 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [1,0,0,0,1,0|1,0,1]=4 12727 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [1,0,0,0,1,0|1,0,1]=4 12728 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [1,0,0,0,1,0|2,0,0]=4 12729 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [1,0,0,0,1,0|1,0,0]=3 12730 B12R1.252 CC(C)OCOc1cccnc1 34a_100000210849_100000709892 [1,0,0,0,1,0|2,0,0]=4 12731 B12R1.252 CC(C)OCOc1ccncc1 34a_100000212176_100000709892 [1,0,0,0,1,0|2,0,0]=4 12732 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [1,0,0,0,1,0|1,1,0]=4 12733 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [1,0,0,0,1,0|1,1,0]=4 12734 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [1,0,0,0,1,0|1,0,1]=4 12735 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [1,0,0,0,1,0|1,0,1]=4 12736 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [1,0,0,0,1,0|1,1,0]=4 12737 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [1,0,0,0,1,0|1,1,0]=4 12738 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [1,0,0,0,1,0|1,0,1]=4 12739 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [1,0,0,0,1,0|2,0,0]=4 12740 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [1,0,0,0,1,0|1,0,0]=3 12741 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [1,0,0,0,1,0|1,0,0]=3 12742 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [1,0,0,0,1,0|2,0,0]=4 12743 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [1,0,0,0,1,0|2,0,0]=4 12744 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [1,0,0,0,1,0|2,0,0]=4 12745 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [1,0,0,0,1,0|1,1,0]=4 12746 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [1,0,0,0,1,0|1,1,0]=4 12747 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [1,0,0,0,1,0|1,0,1]=4 12748 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [1,0,0,0,1,0|1,0,1]=4 12749 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [1,0,0,0,1,0|1,0,1]=4 12750 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [1,0,0,0,1,0|1,0,1]=4 12751 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [1,0,0,0,1,0|1,0,1]=4 12752 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [1,0,0,0,1,0|1,0,1]=4 12753 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [1,0,0,0,1,0|1,0,1]=4 12754 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [1,0,0,0,1,0|1,0,1]=4 12755 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [1,0,0,0,1,0|1,0,1]=4 12756 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [1,0,0,0,1,0|1,0,0]=3 12757 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [1,0,0,0,1,0|1,0,0]=3 12758 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [1,0,0,0,1,0|1,0,0]=3 12759 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [1,0,0,0,1,0|1,0,0]=3 12760 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [1,0,0,0,1,0|1,0,0]=3 12761 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [1,0,0,0,1,0|1,0,0]=3 12762 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [1,0,0,0,1,0|2,0,0]=4 12763 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [1,0,0,0,1,0|1,1,0]=4 12764 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [1,0,0,0,1,0|1,1,0]=4 12765 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [1,0,0,0,1,0|1,1,0]=4 12766 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [1,0,0,0,1,0|1,0,1]=4 12767 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [1,0,0,0,1,0|1,0,1]=4 12768 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [1,0,0,0,1,0|1,0,1]=4 12769 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [1,0,0,0,1,0|1,0,0]=3 12770 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [1,0,0,0,1,0|1,0,0]=3 12771 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [1,0,0,0,1,0|1,0,1]=4 12772 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [1,0,0,0,1,0|1,0,1]=4 12773 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [1,0,0,0,1,0|1,0,1]=4 12774 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [1,0,0,0,1,0|1,0,1]=4 12775 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,1,0|1,0,1]=4 12776 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [1,0,0,0,1,0|1,0,1]=4 12777 B12R1.255 CC(C)CCOCc1cccs1 34a_100000211240_100000210312 [1,0,0,0,1,0|1,0,1]=4 12778 B12R1.255 CC(C)CCOCc1ccoc1 34a_100011215357_100000210312 [1,0,0,0,1,0|1,0,1]=4 12779 B12R1.255 CC(C)CCOCc1ccsc1 34a_100000210254_100011261437 [1,0,0,0,1,0|1,0,1]=4 12780 B12R1.255 CC(C)CCOCc1ccsc1 34a_100011215551_100000210312 [1,0,0,0,1,0|1,0,1]=4 12781 B12R1.255 CC(C)CCOCc1ccsc1 7a_100000210254_100011261437 [1,0,0,0,1,0|1,0,1]=4 12782 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [0,0,0,0,2,0|2,0,0]=4 12783 B12R1.54 CC(C)NCC(=O)c1ccsc1 2230a_100138425928_100011219462 [0,0,0,0,2,0|2,0,0]=4 12784 B12R1.54 CC(C)NCC(=O)c1ccsc1 34a_100138425928_100011219462 [0,0,0,0,2,0|2,0,0]=4 12785 B12R1.54 CC(C)OCC(=O)c1ccsc1 34a_100000212225_100011219462 [0,0,0,0,2,0|2,0,0]=4 12786 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [0,0,0,0,2,0|2,0,0]=4 12787 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [0,0,0,0,2,0|2,0,0]=4 12788 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,0,0,0,2,0|2,0,0]=4 12789 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,0,0,0,2,0|2,0,0]=4 12790 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [0,0,0,0,2,0|2,0,0]=4 12791 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [0,0,0,0,2,0|2,0,0]=4 12792 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100000210206_100011219462 [0,0,0,0,2,0|2,0,0]=4 12793 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100011219462_100000210206 [0,0,0,0,2,0|2,0,0]=4 12794 B12R1.54 CN(C)CCC(=O)c1cccs1 2230a_100102631434_100011290775 [0,0,0,0,2,0|2,0,0]=4 12795 B12R1.54 CN(C)CCC(=O)c1cccs1 269982a_100102631434_100011290775 [0,0,0,0,2,0|2,0,0]=4 12796 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,0,0,2,0|0,0,2]=4 12797 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,2,0|1,0,1]=4 12798 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,0,0,0,2,0|0,0,0]=2 12799 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,0,0,0,2,0|2,0,0]=4 12800 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,0,0,0,2,0|2,0,0]=4 12801 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,0,0,0,2,0|2,0,0]=4 12802 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,0,0,0,2,0|1,0,1]=4 12803 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,0,0,2,0|1,0,0]=3 12804 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,0,0,2,0|1,0,0]=3 12805 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,0,0,2,0|1,0,0]=3 12806 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,0,0,2,0|1,0,0]=3 12807 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,0,0,0,2,0|1,0,1]=4 12808 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,0,0,0,2,0|1,0,1]=4 12809 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,0,0,0,2,0|1,0,1]=4 12810 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,0,0,2,0|1,0,0]=3 12811 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,0,0,0,2,0|1,0,0]=3 12812 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,0,0,0,2,0|2,0,0]=4 12813 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,0,0,0,2,0|2,0,0]=4 12814 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,0,0,0,2,0|2,0,0]=4 12815 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,0,0,0,2,0|2,0,0]=4 12816 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,0,0,0,2,0|2,0,0]=4 12817 B14R1.158 CCCC#CC(=O)Cc1ccccc1 1458a_200011218047_100015291786 [1,0,0,0,0,1|1,0,1]=4 12818 B14R1.158 CCCC#CC(=O)Nc1ccccc1 22a_100000106764_200011218047 [1,0,0,0,0,1|1,0,1]=4 12819 B14R1.158 CCCC=CC(=O)Cc1ccccc1 1458a_100000212230_100015291786 [1,0,0,0,0,1|1,0,1]=4 12820 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 12821 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 12822 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 12823 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [1,0,0,0,0,1|2,0,0]=4 12824 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [1,0,0,0,0,1|1,0,0]=3 12825 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [1,0,0,0,0,1|2,0,0]=4 12826 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [1,0,0,0,0,1|2,0,0]=4 12827 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [1,0,0,0,0,1|2,0,0]=4 12828 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [1,0,0,0,0,1|2,0,0]=4 12829 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [1,0,0,0,0,1|2,0,0]=4 12830 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [1,0,0,0,0,1|1,0,0]=3 12831 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [1,0,0,0,0,1|1,0,0]=3 12832 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [1,0,0,0,0,1|1,0,0]=3 12833 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [1,0,0,0,0,1|1,0,0]=3 12834 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 11a_100000102301_200000086051 [1,0,0,0,0,1|2,0,0]=4 12835 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 240690a_100000102301_200000086051 [1,0,0,0,0,1|2,0,0]=4 12836 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 527a_100000102301_200000086051 [1,0,0,0,0,1|2,0,0]=4 12837 B14R1.158 CCCCNC(=O)Cc1ccccn1 11a_100000102301_100000233486 [1,0,0,0,0,1|2,0,0]=4 12838 B14R1.158 CCCCNC(=O)Cc1cccnc1 11a_100000102301_100000737805 [1,0,0,0,0,1|2,0,0]=4 12839 B14R1.158 CCCCNC(=O)Cc1cccnc1 240690a_100000102301_100000737805 [1,0,0,0,0,1|2,0,0]=4 12840 B14R1.158 CCCCNC(=O)Cc1cccnc1 527a_100000102301_100000737805 [1,0,0,0,0,1|2,0,0]=4 12841 B14R1.158 CCCCNC(=O)Cc1ccncc1 11a_100000102301_100011201483 [1,0,0,0,0,1|2,0,0]=4 12842 B14R1.158 CCCCNC(=O)Cc1ccncc1 240690a_100000102301_100011201483 [1,0,0,0,0,1|2,0,0]=4 12843 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [1,0,0,0,0,1|1,0,0]=3 12844 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [1,0,0,0,0,1|1,0,1]=4 12845 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [1,0,0,0,0,1|1,0,1]=4 12846 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [1,0,0,0,0,1|1,0,1]=4 12847 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [1,0,0,0,0,1|1,0,1]=4 12848 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [1,0,0,0,0,1|2,0,0]=4 12849 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 12850 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 12851 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 12852 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [1,0,0,0,0,1|2,0,0]=4 12853 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [1,0,0,0,0,1|2,0,0]=4 12854 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 12855 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [1,0,0,0,0,1|2,0,0]=4 12856 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [1,0,0,0,0,1|2,0,0]=4 12857 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [1,0,0,0,0,1|2,0,0]=4 12858 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [1,0,0,0,0,1|2,0,0]=4 12859 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 12860 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 12861 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 12862 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 12863 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [1,0,0,0,0,1|2,0,0]=4 12864 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [1,0,0,0,0,1|2,0,0]=4 12865 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [1,0,0,0,0,1|2,0,0]=4 12866 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [1,0,0,0,0,1|2,0,0]=4 12867 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [1,0,0,0,0,1|2,0,0]=4 12868 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [1,0,0,0,0,1|2,0,0]=4 12869 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [1,0,0,0,0,1|2,0,0]=4 12870 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [1,0,0,0,0,1|2,0,0]=4 12871 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [1,0,0,0,0,1|2,0,0]=4 12872 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [1,0,0,0,0,1|2,0,0]=4 12873 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [1,0,0,0,0,1|2,0,0]=4 12874 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [1,0,0,0,0,1|2,0,0]=4 12875 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [1,0,0,0,0,1|2,0,0]=4 12876 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [1,0,0,0,0,1|2,0,0]=4 12877 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [1,0,0,0,0,1|2,0,0]=4 12878 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [1,0,0,0,0,1|2,0,0]=4 12879 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [1,0,0,0,0,1|2,0,0]=4 12880 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [1,0,0,0,0,1|2,0,0]=4 12881 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [1,0,0,0,0,1|2,0,0]=4 12882 B14R1.158 CNCCCC(=O)Nc1ccccc1 2230a_106832991635_100011194425 [1,0,0,0,0,1|2,0,0]=4 12883 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100000750157_200000210301 [1,0,0,0,0,1|2,0,0]=4 12884 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100102657272_100011194425 [1,0,0,0,0,1|2,0,0]=4 12885 B14R1.158 CNCCCC(=O)Nc1ccccc1 7a_106832991635_100011194425 [1,0,0,0,0,1|2,0,0]=4 12886 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [1,0,0,0,0,1|2,0,0]=4 12887 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [1,0,0,0,0,1|2,0,0]=4 12888 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [1,0,0,0,0,1|2,0,0]=4 12889 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [1,0,0,0,0,1|2,0,0]=4 12890 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [1,0,0,0,0,1|2,0,0]=4 12891 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [1,0,0,0,0,1|2,0,0]=4 12892 B14R1.158 COCCNC(=O)Nc1ccccc1 2430a_100000106764_100000209980 [1,0,0,0,0,1|2,0,0]=4 12893 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [1,0,0,0,0,1|2,0,0]=4 12894 B14R1.158 CSCCCC(=O)Nc1ccccc1 11a_100000106764_100000173376 [1,0,0,0,0,1|2,0,0]=4 12895 B14R1.158 CSCCCC(=O)Nc1ccccc1 1626a_100000106764_100000173376 [1,0,0,0,0,1|2,0,0]=4 12896 B14R1.158 CSCCCC(=O)Nc1ccccc1 22a_100000106764_100000173376 [1,0,0,0,0,1|2,0,0]=4 12897 B14R1.158 CSCCCC(=O)Nc1ccccc1 527a_100000106764_100000173376 [1,0,0,0,0,1|2,0,0]=4 12898 B14R1.158 CSCCCC(=O)Nc1ccccc1 62a_200000210301_100011194425 [1,0,0,0,0,1|2,0,0]=4 12899 B14R1.158 CSCCNC(=O)Nc1ccccc1 2430a_100000106764_100020590264 [1,0,0,0,0,1|2,0,0]=4 12900 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [1,0,0,0,0,1|2,0,0]=4 12901 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [1,0,0,0,0,1|2,0,0]=4 12902 B14R1.158 O=C(NCCCF)Nc1ccccc1 2430a_100000106764_100015189416 [1,0,0,0,0,1|2,0,0]=4 12903 B14R1.158 O=C(NCCCO)Nc1ccccc1 2430a_100000106764_100000182051 [1,0,0,0,0,1|2,0,0]=4 12904 B14R1.158 [13CH3]NCCCC(=O)Nc1ccccc1 34a_100000750157_200025704644 [1,0,0,0,0,1|2,0,0]=4 12905 B14R1.158 [13CH3]SCCCC(=O)Nc1ccccc1 62a_200025704644_100011194425 [1,0,0,0,0,1|2,0,0]=4 12906 B14R1.422 CC(=CCCOCc1ccccc1)C 34a_100000210790_100011217483 [1,0,0,0,0,1|0,0,2]=4 12907 B14R1.422 CC(=CCCOCc1ccccc1)C 7a_100000210790_100011217483 [1,0,0,0,0,1|0,0,2]=4 12908 B14R1.422 CC(Br)CCOCCc1ccccc1 34a_100009893172_100000765856 [1,0,0,0,0,1|1,0,1]=4 12909 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [1,0,0,0,0,1|2,0,0]=4 12910 B14R1.422 CC(Br)COCOCc1ccccc1 34a_100012180447_100000763385 [1,0,0,0,0,1|1,0,1]=4 12911 B14R1.422 CC(C)CCCCNc1ccccc1 34a_100000106764_100011216152 [1,0,0,0,0,1|1,0,1]=4 12912 B14R1.422 CC(C)CCCCOc1ccccc1 34a_100000210340_100011216152 [1,0,0,0,0,1|1,0,1]=4 12913 B14R1.422 CC(C)CCCCOc1ccccc1 7a_100000210340_100011216152 [1,0,0,0,0,1|1,0,1]=4 12914 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100000719477_100011216152 [1,0,0,0,0,1|1,0,1]=4 12915 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100011216152_100000041952 [1,0,0,0,0,1|1,0,1]=4 12916 B14R1.422 CC(C)CCCNCc1ccccc1 207a_200000737386_100015611070 [1,0,0,0,0,1|1,0,1]=4 12917 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_100015324214_100011214892 [1,0,0,0,0,1|1,0,1]=4 12918 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_200000737386_100015291786 [1,0,0,0,0,1|1,0,1]=4 12919 B14R1.422 CC(C)CCCNCc1ccccc1 270004a_200000737386_100015611070 [1,0,0,0,0,1|1,0,1]=4 12920 B14R1.422 CC(C)CCCNCc1ccccc1 34a_100015324214_100011214892 [1,0,0,0,0,1|1,0,1]=4 12921 B14R1.422 CC(C)CCCNCc1ccccc1 34a_200000737386_100015291786 [1,0,0,0,0,1|1,0,1]=4 12922 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210774_100015291786 [1,0,0,0,0,1|0,0,1]=3 12923 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210790_100011214892 [1,0,0,0,0,1|0,0,1]=3 12924 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210774_100000211182 [1,0,0,0,0,1|0,0,1]=3 12925 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210790_100011214892 [1,0,0,0,0,1|0,0,1]=3 12926 B14R1.422 CC(C)CCCOCc1ccccn1 34a_100000210774_100000721315 [1,0,0,0,0,1|1,0,1]=4 12927 B14R1.422 CC(C)CCCOCc1ccccn1 7a_100000210774_100000721315 [1,0,0,0,0,1|1,0,1]=4 12928 B14R1.422 CC(C)CCCOCc1cccnc1 34a_100000210774_100000733263 [1,0,0,0,0,1|1,0,1]=4 12929 B14R1.422 CC(C)CCCOCc1cccnc1 7a_100000210774_100000741622 [1,0,0,0,0,1|1,0,1]=4 12930 B14R1.422 CC(C)CCCOCc1ccncc1 7a_100000210774_100015193705 [1,0,0,0,0,1|1,0,1]=4 12931 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100000211182_100011214892 [1,0,0,0,0,1|0,1,1]=4 12932 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100011214892_100015291786 [1,0,0,0,0,1|0,1,1]=4 12933 B14R1.422 CC(C)CCNCCc1ccccc1 2230a_100000106460_100000210312 [1,0,0,0,0,1|1,0,1]=4 12934 B14R1.422 CC(C)CCNCCc1ccccc1 269862a_100000106460_100000185833 [1,0,0,0,0,1|1,0,1]=4 12935 B14R1.422 CC(C)CCNCCc1ccccc1 34a_100000106460_100000210312 [1,0,0,0,0,1|1,0,1]=4 12936 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [1,0,0,0,0,1|0,0,1]=3 12937 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [1,0,0,0,0,1|0,0,1]=3 12938 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [1,0,0,0,0,1|0,0,1]=3 12939 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [1,0,0,0,0,1|0,0,1]=3 12940 B14R1.422 CC(C)CCOCCc1ccccn1 34a_100000210271_100000210312 [1,0,0,0,0,1|1,0,1]=4 12941 B14R1.422 CC(C)CCOCCc1ccccn1 7a_100000210254_100015183660 [1,0,0,0,0,1|1,0,1]=4 12942 B14R1.422 CC(C)CCOCCc1cccnc1 34a_100011217484_100000210312 [1,0,0,0,0,1|1,0,1]=4 12943 B14R1.422 CC(C)CCOCCc1cccnc1 7a_100000210254_200011713674 [1,0,0,0,0,1|1,0,1]=4 12944 B14R1.422 CC(C)CCOCCc1ccncc1 34a_100011216225_100000210312 [1,0,0,0,0,1|1,0,1]=4 12945 B14R1.422 CC(C)CCOCCc1ccncc1 7a_100000210254_100000723409 [1,0,0,0,0,1|1,0,1]=4 12946 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000210312_100011218657 [1,0,0,0,0,1|0,1,1]=4 12947 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000765856_100000210312 [1,0,0,0,0,1|0,1,1]=4 12948 B14R1.422 CC(C)CCSCSc1ccccc1 62a_100000210312_100011218342 [1,0,0,0,0,1|0,1,1]=4 12949 B14R1.422 CC(C)CCSCSc1ccccc1 62a_100011218342_100000210312 [1,0,0,0,0,1|0,1,1]=4 12950 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,0,0,0,0,1|1,0,0]=3 12951 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,0,0,0,0,1|1,0,0]=3 12952 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,0,0,0,0,1|1,0,0]=3 12953 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,0,0,0,0,1|1,0,0]=3 12954 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,0,0,0,0,1|1,0,0]=3 12955 B14R1.422 CC(C)CNCC#Cc1ccccc1 2230a_100000210953_100011352542 [1,0,0,0,0,1|1,0,1]=4 12956 B14R1.422 CC(C)CNCC#Cc1ccccc1 34a_100000210953_100011352542 [1,0,0,0,0,1|1,0,1]=4 12957 B14R1.422 CC(C)CNCC#Cc1ccccc1 34a_100000735379_100000210624 [1,0,0,0,0,1|1,0,1]=4 12958 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,0,0,0,0,1|1,0,0]=3 12959 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000210953_100000211621 [1,0,0,0,0,1|1,0,1]=4 12960 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000211184_100000210760 [1,0,0,0,0,1|1,0,1]=4 12961 B14R1.422 CC(C)CNCCCc1ccccc1 270004a_100000211184_100000210432 [1,0,0,0,0,1|1,0,1]=4 12962 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000210953_100000211621 [1,0,0,0,0,1|1,0,1]=4 12963 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000211184_100000210624 [1,0,0,0,0,1|1,0,1]=4 12964 B14R1.422 CC(C)CNCCOc1ccccc1 2230a_100000174943_100000210760 [1,0,0,0,0,1|2,0,0]=4 12965 B14R1.422 CC(C)CNCCOc1ccccc1 2230a_100000210953_100000184471 [1,0,0,0,0,1|2,0,0]=4 12966 B14R1.422 CC(C)CNCCOc1ccccc1 270004a_100000174943_100000210432 [1,0,0,0,0,1|2,0,0]=4 12967 B14R1.422 CC(C)CNCCOc1ccccc1 270004a_100000210953_100000758736 [1,0,0,0,0,1|2,0,0]=4 12968 B14R1.422 CC(C)CNCCOc1ccccc1 34a_100000174943_100000210624 [1,0,0,0,0,1|2,0,0]=4 12969 B14R1.422 CC(C)CNCCOc1ccccc1 34a_100000210953_100000184471 [1,0,0,0,0,1|2,0,0]=4 12970 B14R1.422 CC(C)CNCCSc1ccccc1 2230a_100000189519_100000210760 [1,0,0,0,0,1|2,0,0]=4 12971 B14R1.422 CC(C)CNCCSc1ccccc1 2230a_100000210953_100000246102 [1,0,0,0,0,1|2,0,0]=4 12972 B14R1.422 CC(C)CNCCSc1ccccc1 270004a_100000189519_100000210432 [1,0,0,0,0,1|2,0,0]=4 12973 B14R1.422 CC(C)CNCCSc1ccccc1 34a_100000210953_100000246102 [1,0,0,0,0,1|2,0,0]=4 12974 B14R1.422 CC(C)CNCOCc1ccccc1 2230a_100000210953_100000763385 [1,0,0,0,0,1|0,0,1]=3 12975 B14R1.422 CC(C)CNCOCc1ccccc1 34a_100000210953_100000763385 [1,0,0,0,0,1|0,0,1]=3 12976 B14R1.422 CC(C)CNCSCc1ccccc1 2230a_100000210953_200011217039 [1,0,0,0,0,1|0,1,1]=4 12977 B14R1.422 CC(C)CNCSCc1ccccc1 34a_100000210953_200011217039 [1,0,0,0,0,1|0,1,1]=4 12978 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [1,0,0,0,0,1|1,0,0]=3 12979 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [1,0,0,0,0,1|1,0,0]=3 12980 B14R1.422 CC(C)COC/C=C/c1cccnc1 34a_200102594124_100000210624 [1,0,0,0,0,1|2,0,0]=4 12981 B14R1.422 CC(C)COCC#Cc1ccccc1 34a_100000210257_100011352542 [1,0,0,0,0,1|1,0,1]=4 12982 B14R1.422 CC(C)COCC#Cc1ccccc1 34a_100011217464_100000210624 [1,0,0,0,0,1|1,0,1]=4 12983 B14R1.422 CC(C)COCC#Cc1ccccc1 7a_100011217464_100000210760 [1,0,0,0,0,1|1,0,1]=4 12984 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210257_100000211621 [1,0,0,0,0,1|1,0,1]=4 12985 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210828_100000210624 [1,0,0,0,0,1|1,0,1]=4 12986 B14R1.422 CC(C)COCCCc1ccccc1 7a_100000210828_100000210760 [1,0,0,0,0,1|1,0,1]=4 12987 B14R1.422 CC(C)COCCNc1ccccc1 34a_100000211345_100000210624 [1,0,0,0,0,1|2,0,0]=4 12988 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210257_100000184471 [1,0,0,0,0,1|2,0,0]=4 12989 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210260_100000210624 [1,0,0,0,0,1|2,0,0]=4 12990 B14R1.422 CC(C)COCCOc1ccccc1 7a_100000210260_100000210760 [1,0,0,0,0,1|2,0,0]=4 12991 B14R1.422 CC(C)COCCSc1ccccc1 34a_100000210257_100000246102 [1,0,0,0,0,1|2,0,0]=4 12992 B14R1.422 CC(C)COCCSc1ccccc1 7a_100000230494_100000210760 [1,0,0,0,0,1|2,0,0]=4 12993 B14R1.422 CC(C)COCOCc1ccccc1 34a_100000210257_100000763385 [1,0,0,0,0,1|0,0,1]=3 12994 B14R1.422 CC(C)COCSCc1ccccc1 34a_100000210257_200011217039 [1,0,0,0,0,1|0,1,1]=4 12995 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100000210624_100016265936 [1,0,0,0,0,1|1,0,0]=3 12996 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000210760 [1,0,0,0,0,1|1,0,0]=3 12997 B14R1.422 CC(C)CSCC#Cc1ccccc1 62a_100000210624_100011352542 [1,0,0,0,0,1|1,0,1]=4 12998 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000210624_100000211621 [1,0,0,0,0,1|1,0,1]=4 12999 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000211621_100000210760 [1,0,0,0,0,1|1,0,1]=4 13000 B14R1.422 CC(C)CSCCOc1ccccc1 62a_100000184471_100000210760 [1,0,0,0,0,1|2,0,0]=4 13001 B14R1.422 CC(C)CSCCOc1ccccc1 62a_100000210624_100000184471 [1,0,0,0,0,1|2,0,0]=4 13002 B14R1.422 CC(C)CSCCSc1ccccc1 62a_100000210624_100000246102 [1,0,0,0,0,1|2,0,0]=4 13003 B14R1.422 CC(C)CSCCSc1ccccc1 62a_100000246102_100000210760 [1,0,0,0,0,1|2,0,0]=4 13004 B14R1.422 CC(C)CSCOCc1ccccc1 62a_100000210624_100000763385 [1,0,0,0,0,1|0,0,1]=3 13005 B14R1.422 CC(C)CSCOCc1ccccc1 62a_100000763385_100000210760 [1,0,0,0,0,1|0,0,1]=3 13006 B14R1.422 CC(C)CSCSCc1ccccc1 62a_100000210624_200011217039 [1,0,0,0,0,1|0,1,1]=4 13007 B14R1.422 CC(C)CSCSCc1ccccc1 62a_200011217039_100000210760 [1,0,0,0,0,1|0,1,1]=4 13008 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100015280158_100000210206 [1,0,0,0,0,1|1,0,1]=4 13009 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100138425928_100000701786 [1,0,0,0,0,1|1,0,1]=4 13010 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100015280158_100000210206 [1,0,0,0,0,1|1,0,1]=4 13011 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100138425928_100000701786 [1,0,0,0,0,1|1,0,1]=4 13012 B14R1.422 CC(C)NCCCOc1ccccc1 2230a_100000216521_100000210206 [1,0,0,0,0,1|2,0,0]=4 13013 B14R1.422 CC(C)NCCCOc1ccccc1 2230a_100138425928_100000199009 [1,0,0,0,0,1|2,0,0]=4 13014 B14R1.422 CC(C)NCCCOc1ccccc1 34a_100000216521_100000210206 [1,0,0,0,0,1|2,0,0]=4 13015 B14R1.422 CC(C)NCCCOc1ccccc1 34a_100138425928_100000199009 [1,0,0,0,0,1|2,0,0]=4 13016 B14R1.422 CC(C)NCCCSc1ccccc1 2230a_100000184639_100000210206 [1,0,0,0,0,1|2,0,0]=4 13017 B14R1.422 CC(C)NCCCSc1ccccc1 2230a_100138425928_200011203293 [1,0,0,0,0,1|2,0,0]=4 13018 B14R1.422 CC(C)NCCCSc1ccccc1 34a_100138425928_200011203293 [1,0,0,0,0,1|2,0,0]=4 13019 B14R1.422 CC(C)NCCOCc1ccccc1 2230a_100000753106_100000210206 [1,0,0,0,0,1|0,0,1]=3 13020 B14R1.422 CC(C)NCCOCc1ccccc1 2230a_100138425928_100000234347 [1,0,0,0,0,1|0,0,1]=3 13021 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100000224655_100015291786 [1,0,0,0,0,1|0,0,1]=3 13022 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100000753106_100000210206 [1,0,0,0,0,1|0,0,1]=3 13023 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100138425928_100000234347 [1,0,0,0,0,1|0,0,1]=3 13024 B14R1.422 CC(C)NCCOCc1ccccn1 34a_100000224655_100000721315 [1,0,0,0,0,1|1,0,1]=4 13025 B14R1.422 CC(C)NCCOCc1cccnc1 34a_100000224655_100000733263 [1,0,0,0,0,1|1,0,1]=4 13026 B14R1.422 CC(C)NCCSCc1ccccc1 2230a_100000189534_100000210206 [1,0,0,0,0,1|0,1,1]=4 13027 B14R1.422 CC(C)NCCSCc1ccccc1 2230a_100138425928_200011297719 [1,0,0,0,0,1|0,1,1]=4 13028 B14R1.422 CC(C)NCCSCc1ccccc1 34a_100000189534_100000210206 [1,0,0,0,0,1|0,1,1]=4 13029 B14R1.422 CC(C)NCCSCc1ccccc1 34a_100138425928_200011297719 [1,0,0,0,0,1|0,1,1]=4 13030 B14R1.422 CC(C)NCCSCc1ccccc1 7a_100000189534_100000210206 [1,0,0,0,0,1|0,1,1]=4 13031 B14R1.422 CC(C)OCCC#Cc1ccccc1 34a_100000760064_100000210206 [1,0,0,0,0,1|1,0,1]=4 13032 B14R1.422 CC(C)OCCC#Cc1ccccc1 7a_100000760064_100000210206 [1,0,0,0,0,1|1,0,1]=4 13033 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000212225_100000701786 [1,0,0,0,0,1|1,0,1]=4 13034 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000703073_100000210206 [1,0,0,0,0,1|1,0,1]=4 13035 B14R1.422 CC(C)OCCCCc1ccccc1 7a_100000703073_100000210206 [1,0,0,0,0,1|1,0,1]=4 13036 B14R1.422 CC(C)OCCCNc1ccccc1 34a_100000212590_100000210206 [1,0,0,0,0,1|2,0,0]=4 13037 B14R1.422 CC(C)OCCCOc1ccccc1 34a_100000212225_100000199009 [1,0,0,0,0,1|2,0,0]=4 13038 B14R1.422 CC(C)OCCCOc1ccccc1 34a_100011215863_100000210206 [1,0,0,0,0,1|2,0,0]=4 13039 B14R1.422 CC(C)OCCCOc1ccccc1 7a_100011215863_100000210206 [1,0,0,0,0,1|2,0,0]=4 13040 B14R1.422 CC(C)OCCCSc1ccccc1 34a_100000212225_200011203293 [1,0,0,0,0,1|2,0,0]=4 13041 B14R1.422 CC(C)OCCNCc1ccccc1 207a_100000701111_100015611070 [1,0,0,0,0,1|1,0,1]=4 13042 B14R1.422 CC(C)OCCNCc1ccccc1 2230a_100000701111_100015291786 [1,0,0,0,0,1|1,0,1]=4 13043 B14R1.422 CC(C)OCCNCc1ccccc1 2230a_100015324214_100000211751 [1,0,0,0,0,1|1,0,1]=4 13044 B14R1.422 CC(C)OCCNCc1ccccc1 270004a_100000701111_100015611070 [1,0,0,0,0,1|1,0,1]=4 13045 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100000180844_100000210206 [1,0,0,0,0,1|1,0,1]=4 13046 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100000701111_100015291786 [1,0,0,0,0,1|1,0,1]=4 13047 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100015324214_100000211751 [1,0,0,0,0,1|1,0,1]=4 13048 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000210790_100000211751 [1,0,0,0,0,1|0,0,1]=3 13049 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000211219_100015291786 [1,0,0,0,0,1|0,0,1]=3 13050 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000212225_100000234347 [1,0,0,0,0,1|0,0,1]=3 13051 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000759325_100000210206 [1,0,0,0,0,1|0,0,1]=3 13052 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000210790_100000211751 [1,0,0,0,0,1|0,0,1]=3 13053 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000211219_100000211182 [1,0,0,0,0,1|0,0,1]=3 13054 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000759325_100000210206 [1,0,0,0,0,1|0,0,1]=3 13055 B14R1.422 CC(C)OCCOCc1ccccn1 34a_100000211219_100000721315 [1,0,0,0,0,1|1,0,1]=4 13056 B14R1.422 CC(C)OCCOCc1ccccn1 7a_100000211219_100000721315 [1,0,0,0,0,1|1,0,1]=4 13057 B14R1.422 CC(C)OCCOCc1cccnc1 34a_100000211219_100000733263 [1,0,0,0,0,1|1,0,1]=4 13058 B14R1.422 CC(C)OCCOCc1cccnc1 7a_100000211219_100000741622 [1,0,0,0,0,1|1,0,1]=4 13059 B14R1.422 CC(C)OCCOCc1ccncc1 7a_100000211219_100015193705 [1,0,0,0,0,1|1,0,1]=4 13060 B14R1.422 CC(C)OCCSCc1ccccc1 34a_100000212225_200011297719 [1,0,0,0,0,1|0,1,1]=4 13061 B14R1.422 CC(C)OCCSCc1ccccc1 34a_100011205989_100000210206 [1,0,0,0,0,1|0,1,1]=4 13062 B14R1.422 CC(C)OCCSCc1ccccc1 62a_100000211182_100000211751 [1,0,0,0,0,1|0,1,1]=4 13063 B14R1.422 CC(C)OCCSCc1ccccc1 62a_100000211751_100015291786 [1,0,0,0,0,1|0,1,1]=4 13064 B14R1.422 CC(C)OCCSCc1ccccc1 7a_100011205989_100000210206 [1,0,0,0,0,1|0,1,1]=4 13065 B14R1.422 CC(C)OCOCCc1ccccc1 34a_100000210268_100000709892 [1,0,0,0,0,1|1,0,1]=4 13066 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000210206_100000701786 [1,0,0,0,0,1|1,0,1]=4 13067 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000701786_100000210206 [1,0,0,0,0,1|1,0,1]=4 13068 B14R1.422 CC(C)SCCCOc1ccccc1 62a_100000199009_100000210206 [1,0,0,0,0,1|2,0,0]=4 13069 B14R1.422 CC(C)SCCCOc1ccccc1 62a_100000210206_100000199009 [1,0,0,0,0,1|2,0,0]=4 13070 B14R1.422 CC(C)SCCCSc1ccccc1 62a_100000210206_200011203293 [1,0,0,0,0,1|2,0,0]=4 13071 B14R1.422 CC(C)SCCCSc1ccccc1 62a_200011203293_100000210206 [1,0,0,0,0,1|2,0,0]=4 13072 B14R1.422 CC(C)SCCNCc1ccccc1 207a_100000731138_100015611070 [1,0,0,0,0,1|1,0,1]=4 13073 B14R1.422 CC(C)SCCNCc1ccccc1 2230a_100000731138_100015291786 [1,0,0,0,0,1|1,0,1]=4 13074 B14R1.422 CC(C)SCCNCc1ccccc1 2230a_100015324214_100000730970 [1,0,0,0,0,1|1,0,1]=4 13075 B14R1.422 CC(C)SCCNCc1ccccc1 270004a_100000731138_100015611070 [1,0,0,0,0,1|1,0,1]=4 13076 B14R1.422 CC(C)SCCNCc1ccccc1 34a_100000731138_100015291786 [1,0,0,0,0,1|1,0,1]=4 13077 B14R1.422 CC(C)SCCNCc1ccccc1 34a_100015324214_100000730970 [1,0,0,0,0,1|1,0,1]=4 13078 B14R1.422 CC(C)SCCOCc1ccccc1 34a_100000210790_100000730970 [1,0,0,0,0,1|0,0,1]=3 13079 B14R1.422 CC(C)SCCOCc1ccccc1 34a_200011212901_100015291786 [1,0,0,0,0,1|0,0,1]=3 13080 B14R1.422 CC(C)SCCOCc1ccccc1 62a_100000210206_100000234347 [1,0,0,0,0,1|0,0,1]=3 13081 B14R1.422 CC(C)SCCOCc1ccccc1 62a_100000234347_100000210206 [1,0,0,0,0,1|0,0,1]=3 13082 B14R1.422 CC(C)SCCOCc1ccccc1 7a_100000210790_100000730970 [1,0,0,0,0,1|0,0,1]=3 13083 B14R1.422 CC(C)SCCOCc1ccccc1 7a_200011212901_100000211182 [1,0,0,0,0,1|0,0,1]=3 13084 B14R1.422 CC(C)SCCOCc1ccccn1 34a_200011212901_100000721315 [1,0,0,0,0,1|1,0,1]=4 13085 B14R1.422 CC(C)SCCOCc1ccccn1 7a_200011212901_100000721315 [1,0,0,0,0,1|1,0,1]=4 13086 B14R1.422 CC(C)SCCOCc1cccnc1 34a_200011212901_100000733263 [1,0,0,0,0,1|1,0,1]=4 13087 B14R1.422 CC(C)SCCOCc1cccnc1 7a_200011212901_100000741622 [1,0,0,0,0,1|1,0,1]=4 13088 B14R1.422 CC(C)SCCOCc1ccncc1 7a_200011212901_100015193705 [1,0,0,0,0,1|1,0,1]=4 13089 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000210206_200011297719 [1,0,0,0,0,1|0,1,1]=4 13090 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000211182_100000730970 [1,0,0,0,0,1|0,1,1]=4 13091 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000730970_100015291786 [1,0,0,0,0,1|0,1,1]=4 13092 B14R1.422 CC(C)SCCSCc1ccccc1 62a_200011297719_100000210206 [1,0,0,0,0,1|0,1,1]=4 13093 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [1,0,0,0,0,1|2,0,0]=4 13094 B14R1.422 CC(F)COCOCc1ccccc1 34a_100015925927_100000763385 [1,0,0,0,0,1|1,0,1]=4 13095 B14R1.422 CC(O)CCCOCc1ccccc1 34a_100000210790_200000718107 [1,0,0,0,0,1|1,0,1]=4 13096 B14R1.422 CC(O)CCCOCc1ccccc1 7a_100000210790_200000718107 [1,0,0,0,0,1|1,0,1]=4 13097 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [1,0,0,0,0,1|1,0,1]=4 13098 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [1,0,0,0,0,1|1,0,1]=4 13099 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100000210904_100016265936 [1,0,0,0,0,1|2,0,0]=4 13100 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218427 [1,0,0,0,0,1|2,0,0]=4 13101 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100000210904_100016265936 [1,0,0,0,0,1|2,0,0]=4 13102 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218427 [1,0,0,0,0,1|2,0,0]=4 13103 B14R1.422 CC(O)CNCC=Cc1ccccc1 270004a_100000210904_100000210105 [1,0,0,0,0,1|2,0,0]=4 13104 B14R1.422 CC(O)CNCOCc1ccccc1 2230a_100000210904_100000763385 [1,0,0,0,0,1|1,0,1]=4 13105 B14R1.422 CC(O)CNCOCc1ccccc1 34a_100000210904_100000763385 [1,0,0,0,0,1|1,0,1]=4 13106 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,0,0,0,0,1|2,0,0]=4 13107 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100011218427_100016265936 [1,0,0,0,0,1|2,0,0]=4 13108 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218427 [1,0,0,0,0,1|2,0,0]=4 13109 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100000763385_100011218427 [1,0,0,0,0,1|1,0,1]=4 13110 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100011218427_100000763385 [1,0,0,0,0,1|1,0,1]=4 13111 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100000233174_200000210301 [1,0,0,0,0,1|1,0,1]=4 13112 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100102631434_100011215529 [1,0,0,0,0,1|1,0,1]=4 13113 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100000233174_200000210301 [1,0,0,0,0,1|1,0,1]=4 13114 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100102631434_100011215529 [1,0,0,0,0,1|1,0,1]=4 13115 B14R1.422 CN(C)CCCOCc1ccccc1 7a_100000210790_100000757444 [1,0,0,0,0,1|1,0,1]=4 13116 B14R1.422 CN(C)CCOCCc1ccccc1 7a_100000210268_100000755713 [1,0,0,0,0,1|1,0,1]=4 13117 B14R1.422 CN([13CH3])CCCOCc1ccccc1 2230a_100000233174_200025704644 [1,0,0,0,0,1|1,0,1]=4 13118 B14R1.422 CN([13CH3])CCCOCc1ccccc1 269982a_100000233174_200025704644 [1,0,0,0,0,1|1,0,1]=4 13119 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [1,0,0,0,0,1|2,0,0]=4 13120 B14R1.422 C[C@@H](Cl)COCOCc1ccccc1 34a_100016084084_100000763385 [1,0,0,0,0,1|1,0,1]=4 13121 B14R1.422 C[C@@H](N)CCOCCc1ccccc1 34a_100000706166_100000765856 [1,0,0,0,0,1|1,0,1]=4 13122 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [1,0,0,0,0,1|2,0,0]=4 13123 B14R1.422 C[C@@H](N)COCOCc1ccccc1 34a_100000737577_100000763385 [1,0,0,0,0,1|1,0,1]=4 13124 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 2230a_100020603302_100009817552 [1,0,0,0,0,1|2,0,0]=4 13125 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 34a_100020603302_100009817552 [1,0,0,0,0,1|2,0,0]=4 13126 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,0,0,0,0,1|2,0,0]=4 13127 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100009817552_100016265936 [1,0,0,0,0,1|2,0,0]=4 13128 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100016265936_100009817552 [1,0,0,0,0,1|2,0,0]=4 13129 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100000763385_100009817552 [1,0,0,0,0,1|1,0,1]=4 13130 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100009817552_100000763385 [1,0,0,0,0,1|1,0,1]=4 13131 B14R1.418 CC(Br)CCOCC(=O)c1ccsc1 34a_100009893172_100011219462 [0,0,0,0,1,1|2,0,0]=4 13132 B14R1.418 CC(C)CCOCC(=O)c1ccc[nH]1 7a_100000210254_200011262396 [0,0,0,0,1,1|1,0,0]=3 13133 B14R1.418 CC(C)CCOCC(=O)c1ccco1 7a_100000210254_100000211439 [0,0,0,0,1,1|1,0,0]=3 13134 B14R1.418 CC(C)CCOCC(=O)c1cccs1 7a_100000210254_100000211436 [0,0,0,0,1,1|1,0,0]=3 13135 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 34a_100000210254_100011219462 [0,0,0,0,1,1|1,0,0]=3 13136 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 7a_100000210254_100011219462 [0,0,0,0,1,1|1,0,0]=3 13137 B14R1.418 CC(C)CCOCC(=O)c1nccs1 7a_100000210254_100000718653 [0,0,0,0,1,1|2,0,0]=4 13138 B14R1.418 CC(C)CCOCC(=O)n1cccn1 7a_100000210254_100000077511 [0,0,0,0,1,1|2,0,0]=4 13139 B14R1.418 CC(C)CCSCC(=O)c1ccc[nH]1 62a_100000210312_200011262396 [0,0,0,0,1,1|1,1,0]=4 13140 B14R1.418 CC(C)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210312 [0,0,0,0,1,1|1,1,0]=4 13141 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000210312_100000211439 [0,0,0,0,1,1|1,1,0]=4 13142 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000211439_100000210312 [0,0,0,0,1,1|1,1,0]=4 13143 B14R1.418 CC(C)CCSCC(=O)c1cccs1 62a_100000210312_100000211436 [0,0,0,0,1,1|1,1,0]=4 13144 B14R1.418 CC(C)CCSCC(=O)c1cccs1 62a_100000211436_100000210312 [0,0,0,0,1,1|1,1,0]=4 13145 B14R1.418 CC(C)CCSCC(=O)c1ccsc1 62a_100000210312_100011219462 [0,0,0,0,1,1|1,1,0]=4 13146 B14R1.418 CC(C)CCSCC(=O)c1ccsc1 62a_100011219462_100000210312 [0,0,0,0,1,1|1,1,0]=4 13147 B14R1.418 CC(C)CNCCC(=O)c1cccs1 2230a_100000210953_100011290775 [0,0,0,0,1,1|2,0,0]=4 13148 B14R1.418 CC(C)CSCCC(=O)c1cccs1 62a_100000210624_100011290775 [0,0,0,0,1,1|2,0,0]=4 13149 B14R1.418 CC(C)CSCCC(=O)c1cccs1 62a_100011290775_100000210760 [0,0,0,0,1,1|2,0,0]=4 13150 B14R1.418 C[C@@H](N)CCOCC(=O)c1ccsc1 34a_100000706166_100011219462 [0,0,0,0,1,1|2,0,0]=4 13151 B16R1.609 C=C(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000730704 [0,0,0,0,0,2|0,0,2]=4 13152 B16R1.609 C=C(C)CCSCOC(=O)c1ccccc1 62a_100000730704_100000073877 [0,0,0,0,0,2|0,0,2]=4 13153 B16R1.609 C=C(C)COCCOC(=O)c1ccccc1 34a_100000210245_100009812718 [0,0,0,0,0,2|0,0,2]=4 13154 B16R1.609 C=C(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000748629 [0,0,0,0,0,2|0,0,2]=4 13155 B16R1.609 C=C(C)CSCCOC(=O)c1ccccc1 62a_100000748629_100009812718 [0,0,0,0,0,2|0,0,2]=4 13156 B16R1.609 C=C(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000211660 [0,0,0,0,0,2|0,0,2]=4 13157 B16R1.609 CC(=CCCSCC(=O)c1ccccc1)C 62a_100000211460_100011217483 [0,0,0,0,0,2|0,1,1]=4 13158 B16R1.609 CC(=CCCSCC(=O)c1ccccc1)C 62a_100011217483_100000211460 [0,0,0,0,0,2|0,1,1]=4 13159 B16R1.609 CC(=CCSCCC(=O)c1ccccc1)C 62a_100000750707_100000761012 [0,0,0,0,0,2|1,0,1]=4 13160 B16R1.609 CC(=CCSCCC(=O)c1ccccc1)C 62a_100000761012_100000750707 [0,0,0,0,0,2|1,0,1]=4 13161 B16R1.609 CC(=CCSCOC(=O)c1ccccc1)C 62a_100000073877_100000761012 [0,0,0,0,0,2|0,0,1]=3 13162 B16R1.609 CC(=CCSCOC(=O)c1ccccc1)C 62a_100000761012_100000073877 [0,0,0,0,0,2|0,0,1]=3 13163 B16R1.609 CC(=O)CCCCOC(=O)c1ccccc1 1458a_100000070787_100000039408 [0,0,0,0,0,2|1,0,1]=4 13164 B16R1.609 CC(=O)CCCOCC(=O)c1ccccc1 7a_100000759063_100000211460 [0,0,0,0,0,2|1,0,1]=4 13165 B16R1.609 CC(=O)CCOCCC(=O)c1ccccc1 7a_100000759926_100000750707 [0,0,0,0,0,2|1,0,1]=4 13166 B16R1.609 CC(=O)CCOCOC(=O)c1ccccc1 7a_100000759926_100000073877 [0,0,0,0,0,2|1,0,1]=4 13167 B16R1.609 CC(=O)CCSCOC(=O)c1ccccc1 62a_100000053229_100000073877 [0,0,0,0,0,2|1,0,1]=4 13168 B16R1.609 CC(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000053229 [0,0,0,0,0,2|1,0,1]=4 13169 B16R1.609 CC(=O)COCCOC(=O)c1ccccc1 34a_100000211253_100009812718 [0,0,0,0,0,2|1,0,1]=4 13170 B16R1.609 CC(=O)OCSCOC(=O)c1ccccc1 62a_100000073877_100000076356 [0,0,0,0,0,2|1,0,1]=4 13171 B16R1.609 CC(=O)OCSCOC(=O)c1ccccc1 62a_100000076356_100000073877 [0,0,0,0,0,2|1,0,1]=4 13172 B16R1.609 CC(Br)COCCOC(=O)c1ccccc1 34a_100012180447_100009812718 [0,0,0,0,0,2|1,0,0]=3 13173 B16R1.609 CC(C)CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210682 [0,0,0,0,0,2|1,0,0]=3 13174 B16R1.609 CC(C)CCCCOC(C)c1ccccc1 34a_100011214890_100000211855 [0,0,0,0,0,2|1,0,1]=4 13175 B16R1.609 CC(C)CCCCOC(C)c1ccccc1 7a_100011214890_100000230085 [0,0,0,0,0,2|1,0,1]=4 13176 B16R1.609 CC(C)CCCCO[C@H](C)c1ccccc1 34a_100000761318_100011216152 [0,0,0,0,0,2|1,0,1]=4 13177 B16R1.609 CC(C)CCCCO[C@H](C)c1ccccc1 7a_100000761318_100011216152 [0,0,0,0,0,2|1,0,1]=4 13178 B16R1.609 CC(C)CCCNCC(=O)c1ccccn1 34a_200000737386_100000027445 [0,0,0,0,0,2|2,0,0]=4 13179 B16R1.609 CC(C)CCCOCC(=O)c1ccccc1 7a_100000210774_100000211460 [0,0,0,0,0,2|0,0,0]=2 13180 B16R1.609 CC(C)CCCOCC(=O)c1ccccn1 34a_100000210774_100000027445 [0,0,0,0,0,2|1,0,0]=3 13181 B16R1.609 CC(C)CCCOCC(=O)c1ccccn1 7a_100000210774_100000027445 [0,0,0,0,0,2|1,0,0]=3 13182 B16R1.609 CC(C)CCCOCC(=O)c1ccncc1 7a_100000210774_100015248511 [0,0,0,0,0,2|1,0,0]=3 13183 B16R1.609 CC(C)CCCOCC(C)c1ccccc1 34a_100000210774_100000756946 [0,0,0,0,0,2|1,0,1]=4 13184 B16R1.609 CC(C)CCCOCC(C)c1ccccc1 34a_100011215166_100011214892 [0,0,0,0,0,2|1,0,1]=4 13185 B16R1.609 CC(C)CCCOCC(C)c1ccccc1 7a_100000210774_100000756946 [0,0,0,0,0,2|1,0,1]=4 13186 B16R1.609 CC(C)CCCOCC(C)c1ccccc1 7a_100011215166_100011214892 [0,0,0,0,0,2|1,0,1]=4 13187 B16R1.609 CC(C)CCCOCC(O)c1ccccc1 34a_100000210774_100000185958 [0,0,0,0,0,2|0,0,2]=4 13188 B16R1.609 CC(C)CCCOCC(O)c1ccccc1 7a_100000210774_100000185958 [0,0,0,0,0,2|0,0,2]=4 13189 B16R1.609 CC(C)CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011214892 [0,0,0,0,0,2|1,0,1]=4 13190 B16R1.609 CC(C)CCCOC[C@@H](O)c1ccccc1 34a_100000210774_100011933945 [0,0,0,0,0,2|0,0,2]=4 13191 B16R1.609 CC(C)CCCOC[C@@H](O)c1ccccc1 7a_100000210774_100011933945 [0,0,0,0,0,2|0,0,2]=4 13192 B16R1.609 CC(C)CCCSCC(=O)c1ccccc1 62a_100000211460_100011214892 [0,0,0,0,0,2|0,1,0]=3 13193 B16R1.609 CC(C)CCCSCC(=O)c1ccccc1 62a_100011214892_100000211460 [0,0,0,0,0,2|0,1,0]=3 13194 B16R1.609 CC(C)CCCSCC(=O)c1ccccn1 62a_100000027445_100011214892 [0,0,0,0,0,2|1,1,0]=4 13195 B16R1.609 CC(C)CCCSCC(=O)c1ccccn1 62a_100011214892_100000027445 [0,0,0,0,0,2|1,1,0]=4 13196 B16R1.609 CC(C)CCCSCC(=O)c1cccnc1 62a_100000757877_100011214892 [0,0,0,0,0,2|1,1,0]=4 13197 B16R1.609 CC(C)CCCSCC(=O)c1cccnc1 62a_100011214892_100000757877 [0,0,0,0,0,2|1,1,0]=4 13198 B16R1.609 CC(C)CCCSCC(=O)c1ccncc1 62a_100000027454_100011214892 [0,0,0,0,0,2|1,1,0]=4 13199 B16R1.609 CC(C)CCCSCC(=O)c1ccncc1 62a_100011214892_100000027454 [0,0,0,0,0,2|1,1,0]=4 13200 B16R1.609 CC(C)CCCSCS(=O)c1ccccc1 62a_100011214892_100000031784 [0,0,0,0,0,2|1,1,0]=4 13201 B16R1.609 CC(C)CCOCCC(=O)c1ccccc1 7a_100000210254_100000750707 [0,0,0,0,0,2|0,0,0]=2 13202 B16R1.609 CC(C)CCOCCS(=O)c1ccccc1 7a_100000210254_100000740319 [0,0,0,0,0,2|1,0,0]=3 13203 B16R1.609 CC(C)CCOCC[C@@H](O)c1ccccc1 34a_100000210254_100000729684 [0,0,0,0,0,2|0,0,2]=4 13204 B16R1.609 CC(C)CCOCC[C@@H](O)c1ccccc1 7a_100000210254_100000729684 [0,0,0,0,0,2|0,0,2]=4 13205 B16R1.609 CC(C)CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210312 [0,0,0,0,0,2|1,0,1]=4 13206 B16R1.609 CC(C)CCOCOC(=O)c1ccccc1 7a_100000210254_100000073877 [0,0,0,0,0,2|0,0,0]=2 13207 B16R1.609 CC(C)CCSCCC(=O)c1ccccc1 62a_100000210312_100000750707 [0,0,0,0,0,2|0,1,0]=3 13208 B16R1.609 CC(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000210312 [0,0,0,0,0,2|0,1,0]=3 13209 B16R1.609 CC(C)CCSCCS(=O)c1ccccc1 62a_100000210312_100000740319 [0,0,0,0,0,2|1,1,0]=4 13210 B16R1.609 CC(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000210312 [0,0,0,0,0,2|0,0,0]=2 13211 B16R1.609 CC(C)CCSCOC(=O)c1ccccc1 62a_100000210312_100000073877 [0,0,0,0,0,2|0,0,0]=2 13212 B16R1.609 CC(C)CNCCCC(=O)c1ccccc1 2230a_100000210953_100000211006 [0,0,0,0,0,2|1,0,0]=3 13213 B16R1.609 CC(C)CNCCNC(=O)c1ccccc1 2230a_100000736134_100000210760 [0,0,0,0,0,2|1,0,0]=3 13214 B16R1.609 CC(C)CNCCNC(=O)c1ccccc1 270004a_100000736134_100000210432 [0,0,0,0,0,2|1,0,0]=3 13215 B16R1.609 CC(C)CNCCNC(=O)c1ccncc1 2230a_200011198449_100000210760 [0,0,0,0,0,2|2,0,0]=4 13216 B16R1.609 CC(C)CNCCNC(=O)c1ccncc1 270004a_200011198449_100000210432 [0,0,0,0,0,2|2,0,0]=4 13217 B16R1.609 CC(C)CNCCOC(=O)c1ccccc1 34a_100000210953_100009812718 [0,0,0,0,0,2|0,0,0]=2 13218 B16R1.609 CC(C)CNCCOC(C)c1ccccc1 34a_100015185251_100000211855 [0,0,0,0,0,2|1,0,1]=4 13219 B16R1.609 CC(C)COCCNC(=O)c1ccccc1 34a_200000158897_100000210624 [0,0,0,0,0,2|1,0,0]=3 13220 B16R1.609 CC(C)COCCNC(=O)c1ccccc1 7a_200000158897_100000210760 [0,0,0,0,0,2|1,0,0]=3 13221 B16R1.609 CC(C)COCCOC(=O)c1ccccc1 34a_100000210257_100009812718 [0,0,0,0,0,2|0,0,0]=2 13222 B16R1.609 CC(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000210760 [0,0,0,0,0,2|0,0,0]=2 13223 B16R1.609 CC(C)COCCOC(C)c1ccccc1 34a_100000703358_100000211855 [0,0,0,0,0,2|1,0,1]=4 13224 B16R1.609 CC(C)COCCOC(C)c1ccccc1 7a_100000703358_100000230085 [0,0,0,0,0,2|1,0,1]=4 13225 B16R1.609 CC(C)CSCCCC(=O)c1ccccc1 62a_100000210624_100000211006 [0,0,0,0,0,2|1,0,0]=3 13226 B16R1.609 CC(C)CSCCCC(=O)c1ccccc1 62a_100000211006_100000210760 [0,0,0,0,0,2|1,0,0]=3 13227 B16R1.609 CC(C)CSCCNC(=O)c1ccccc1 62a_100000210624_200011215302 [0,0,0,0,0,2|1,0,0]=3 13228 B16R1.609 CC(C)CSCCNC(=O)c1ccccc1 62a_200011215302_100000210760 [0,0,0,0,0,2|1,0,0]=3 13229 B16R1.609 CC(C)CSCCOC(=O)c1ccccc1 62a_100000210624_100009812718 [0,0,0,0,0,2|0,0,0]=2 13230 B16R1.609 CC(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000210760 [0,0,0,0,0,2|0,0,0]=2 13231 B16R1.609 CC(C)CSCCOC(C)c1ccccc1 34a_200000230437_100000211855 [0,0,0,0,0,2|1,0,1]=4 13232 B16R1.609 CC(C)CSCCOC(C)c1ccccc1 7a_200000230437_100000230085 [0,0,0,0,0,2|1,0,1]=4 13233 B16R1.609 CC(C)NCCCOC(=O)c1ccccc1 34a_100138425928_200009892979 [0,0,0,0,0,2|0,0,0]=2 13234 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 2230a_100000206020_100000210206 [0,0,0,0,0,2|1,0,1]=4 13235 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 34a_100000182298_100000211855 [0,0,0,0,0,2|1,0,1]=4 13236 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 34a_100000206020_100000210206 [0,0,0,0,0,2|1,0,1]=4 13237 B16R1.609 CC(C)NCCOCC(=O)c1ccccn1 34a_100000224655_100000027445 [0,0,0,0,0,2|1,0,0]=3 13238 B16R1.609 CC(C)NCCOCC(C)c1ccccc1 34a_100000224655_100000756946 [0,0,0,0,0,2|1,0,1]=4 13239 B16R1.609 CC(C)NCCOCC(O)c1ccccc1 34a_100000224655_100000185958 [0,0,0,0,0,2|0,0,2]=4 13240 B16R1.609 CC(C)NCCOC[C@@H](O)c1ccccc1 34a_100000224655_100011933945 [0,0,0,0,0,2|0,0,2]=4 13241 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 11a_100000737246_100000185807 [0,0,0,0,0,2|1,0,0]=3 13242 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 1626a_100000737246_100000185807 [0,0,0,0,0,2|1,0,0]=3 13243 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 240690a_100000737246_100000185807 [0,0,0,0,0,2|1,0,0]=3 13244 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 527a_100000737246_100000185807 [0,0,0,0,0,2|1,0,0]=3 13245 B16R1.609 CC(C)OCCCOC(=O)c1ccccc1 34a_100000212225_200009892979 [0,0,0,0,0,2|0,0,0]=2 13246 B16R1.609 CC(C)OCCNCC(=O)c1ccccn1 34a_100000701111_100000027445 [0,0,0,0,0,2|2,0,0]=4 13247 B16R1.609 CC(C)OCCOCC(=O)c1ccccc1 7a_100000211219_100000211460 [0,0,0,0,0,2|0,0,0]=2 13248 B16R1.609 CC(C)OCCOCC(=O)c1ccccn1 34a_100000211219_100000027445 [0,0,0,0,0,2|1,0,0]=3 13249 B16R1.609 CC(C)OCCOCC(=O)c1ccccn1 7a_100000211219_100000027445 [0,0,0,0,0,2|1,0,0]=3 13250 B16R1.609 CC(C)OCCOCC(=O)c1ccncc1 7a_100000211219_100015248511 [0,0,0,0,0,2|1,0,0]=3 13251 B16R1.609 CC(C)OCCOCC(C)c1ccccc1 34a_100000211219_100000756946 [0,0,0,0,0,2|1,0,1]=4 13252 B16R1.609 CC(C)OCCOCC(C)c1ccccc1 34a_100011215166_100000211751 [0,0,0,0,0,2|1,0,1]=4 13253 B16R1.609 CC(C)OCCOCC(C)c1ccccc1 7a_100000211219_100000756946 [0,0,0,0,0,2|1,0,1]=4 13254 B16R1.609 CC(C)OCCOCC(C)c1ccccc1 7a_100011215166_100000211751 [0,0,0,0,0,2|1,0,1]=4 13255 B16R1.609 CC(C)OCCOCC(O)c1ccccc1 34a_100000211219_100000185958 [0,0,0,0,0,2|0,0,2]=4 13256 B16R1.609 CC(C)OCCOCC(O)c1ccccc1 7a_100000211219_100000185958 [0,0,0,0,0,2|0,0,2]=4 13257 B16R1.609 CC(C)OCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000211751 [0,0,0,0,0,2|1,0,1]=4 13258 B16R1.609 CC(C)OCCOC[C@@H](O)c1ccccc1 34a_100000211219_100011933945 [0,0,0,0,0,2|0,0,2]=4 13259 B16R1.609 CC(C)OCCOC[C@@H](O)c1ccccc1 7a_100000211219_100011933945 [0,0,0,0,0,2|0,0,2]=4 13260 B16R1.609 CC(C)OCCSCC(=O)c1ccccc1 62a_100000211460_100000211751 [0,0,0,0,0,2|0,1,0]=3 13261 B16R1.609 CC(C)OCCSCC(=O)c1ccccc1 62a_100000211751_100000211460 [0,0,0,0,0,2|0,1,0]=3 13262 B16R1.609 CC(C)OCCSCC(=O)c1ccccn1 62a_100000027445_100000211751 [0,0,0,0,0,2|1,1,0]=4 13263 B16R1.609 CC(C)OCCSCC(=O)c1ccccn1 62a_100000211751_100000027445 [0,0,0,0,0,2|1,1,0]=4 13264 B16R1.609 CC(C)OCCSCC(=O)c1cccnc1 62a_100000211751_100000757877 [0,0,0,0,0,2|1,1,0]=4 13265 B16R1.609 CC(C)OCCSCC(=O)c1cccnc1 62a_100000757877_100000211751 [0,0,0,0,0,2|1,1,0]=4 13266 B16R1.609 CC(C)OCCSCC(=O)c1ccncc1 62a_100000027454_100000211751 [0,0,0,0,0,2|1,1,0]=4 13267 B16R1.609 CC(C)OCCSCC(=O)c1ccncc1 62a_100000211751_100000027454 [0,0,0,0,0,2|1,1,0]=4 13268 B16R1.609 CC(C)OCCSCS(=O)c1ccccc1 62a_100000211751_100000031784 [0,0,0,0,0,2|1,1,0]=4 13269 B16R1.609 CC(C)OCSCCC(=O)c1ccccc1 62a_100000709892_100000750707 [0,0,0,0,0,2|1,0,0]=3 13270 B16R1.609 CC(C)OCSCCC(=O)c1ccccc1 62a_100000750707_100000709892 [0,0,0,0,0,2|1,0,0]=3 13271 B16R1.609 CC(C)OCSCCS(=O)c1ccccc1 62a_100000709892_100000740319 [0,0,0,0,0,2|2,0,0]=4 13272 B16R1.609 CC(C)OCSCOC(=O)c1ccccc1 62a_100000073877_100000709892 [0,0,0,0,0,2|0,0,0]=2 13273 B16R1.609 CC(C)OCSCOC(=O)c1ccccc1 62a_100000709892_100000073877 [0,0,0,0,0,2|0,0,0]=2 13274 B16R1.609 CC(C)SCCCOC(=O)c1ccccc1 62a_100000210206_200009892979 [0,0,0,0,0,2|0,0,0]=2 13275 B16R1.609 CC(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100000210206 [0,0,0,0,0,2|0,0,0]=2 13276 B16R1.609 CC(C)SCCNCC(=O)c1ccccn1 34a_100000731138_100000027445 [0,0,0,0,0,2|2,0,0]=4 13277 B16R1.609 CC(C)SCCOCC(=O)c1ccccc1 7a_200011212901_100000211460 [0,0,0,0,0,2|0,0,0]=2 13278 B16R1.609 CC(C)SCCOCC(=O)c1ccccn1 34a_200011212901_100000027445 [0,0,0,0,0,2|1,0,0]=3 13279 B16R1.609 CC(C)SCCOCC(=O)c1ccccn1 7a_200011212901_100000027445 [0,0,0,0,0,2|1,0,0]=3 13280 B16R1.609 CC(C)SCCOCC(=O)c1ccncc1 7a_200011212901_100015248511 [0,0,0,0,0,2|1,0,0]=3 13281 B16R1.609 CC(C)SCCOCC(C)c1ccccc1 34a_100011215166_100000730970 [0,0,0,0,0,2|1,0,1]=4 13282 B16R1.609 CC(C)SCCOCC(C)c1ccccc1 34a_200011212901_100000756946 [0,0,0,0,0,2|1,0,1]=4 13283 B16R1.609 CC(C)SCCOCC(C)c1ccccc1 7a_100011215166_100000730970 [0,0,0,0,0,2|1,0,1]=4 13284 B16R1.609 CC(C)SCCOCC(C)c1ccccc1 7a_200011212901_100000756946 [0,0,0,0,0,2|1,0,1]=4 13285 B16R1.609 CC(C)SCCOCC(O)c1ccccc1 34a_200011212901_100000185958 [0,0,0,0,0,2|0,0,2]=4 13286 B16R1.609 CC(C)SCCOCC(O)c1ccccc1 7a_200011212901_100000185958 [0,0,0,0,0,2|0,0,2]=4 13287 B16R1.609 CC(C)SCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000730970 [0,0,0,0,0,2|1,0,1]=4 13288 B16R1.609 CC(C)SCCOC[C@@H](O)c1ccccc1 34a_200011212901_100011933945 [0,0,0,0,0,2|0,0,2]=4 13289 B16R1.609 CC(C)SCCOC[C@@H](O)c1ccccc1 7a_200011212901_100011933945 [0,0,0,0,0,2|0,0,2]=4 13290 B16R1.609 CC(C)SCCSCC(=O)c1ccccc1 62a_100000211460_100000730970 [0,0,0,0,0,2|0,1,0]=3 13291 B16R1.609 CC(C)SCCSCC(=O)c1ccccc1 62a_100000730970_100000211460 [0,0,0,0,0,2|0,1,0]=3 13292 B16R1.609 CC(C)SCCSCC(=O)c1ccccn1 62a_100000027445_100000730970 [0,0,0,0,0,2|1,1,0]=4 13293 B16R1.609 CC(C)SCCSCC(=O)c1ccccn1 62a_100000730970_100000027445 [0,0,0,0,0,2|1,1,0]=4 13294 B16R1.609 CC(C)SCCSCC(=O)c1cccnc1 62a_100000730970_100000757877 [0,0,0,0,0,2|1,1,0]=4 13295 B16R1.609 CC(C)SCCSCC(=O)c1cccnc1 62a_100000757877_100000730970 [0,0,0,0,0,2|1,1,0]=4 13296 B16R1.609 CC(C)SCCSCC(=O)c1ccncc1 62a_100000027454_100000730970 [0,0,0,0,0,2|1,1,0]=4 13297 B16R1.609 CC(C)SCCSCC(=O)c1ccncc1 62a_100000730970_100000027454 [0,0,0,0,0,2|1,1,0]=4 13298 B16R1.609 CC(C)SCCSCS(=O)c1ccccc1 62a_100000730970_100000031784 [0,0,0,0,0,2|1,1,0]=4 13299 B16R1.609 CC(F)COCCOC(=O)c1ccccc1 34a_100015925927_100009812718 [0,0,0,0,0,2|1,0,0]=3 13300 B16R1.609 CC(O)CCCSCC(=O)c1ccccc1 62a_100000211460_200000718107 [0,0,0,0,0,2|1,1,0]=4 13301 B16R1.609 CC(O)CCCSCC(=O)c1ccccc1 62a_200000718107_100000211460 [0,0,0,0,0,2|1,1,0]=4 13302 B16R1.609 CC(O)CCNCCC(=O)c1ccccc1 2230a_200000755665_100000750707 [0,0,0,0,0,2|2,0,0]=4 13303 B16R1.609 CC(O)CCSCCC(=O)c1ccccc1 62a_100000750707_100012276601 [0,0,0,0,0,2|1,1,0]=4 13304 B16R1.609 CC(O)CCSCCC(=O)c1ccccc1 62a_100012276601_100000750707 [0,0,0,0,0,2|1,1,0]=4 13305 B16R1.609 CC(O)CCSCOC(=O)c1ccccc1 62a_100000073877_100012276601 [0,0,0,0,0,2|1,0,0]=3 13306 B16R1.609 CC(O)CCSCOC(=O)c1ccccc1 62a_100012276601_100000073877 [0,0,0,0,0,2|1,0,0]=3 13307 B16R1.609 CC(O)CNCCCC(=O)c1ccccc1 2230a_100000210904_100000211006 [0,0,0,0,0,2|2,0,0]=4 13308 B16R1.609 CC(O)CNCCNC(=O)c1ccccc1 2230a_100000736134_100011218427 [0,0,0,0,0,2|2,0,0]=4 13309 B16R1.609 CC(O)CNCCOC(=O)c1ccccc1 34a_100000210904_100009812718 [0,0,0,0,0,2|1,0,0]=3 13310 B16R1.609 CC(O)COCCNC(=O)c1ccccc1 34a_200000158897_100011218427 [0,0,0,0,0,2|2,0,0]=4 13311 B16R1.609 CC(O)COCCNC(=O)c1ccccc1 7a_200000158897_100011218427 [0,0,0,0,0,2|2,0,0]=4 13312 B16R1.609 CC(O)COCCOC(=O)c1ccccc1 7a_100000025465_100011218427 [0,0,0,0,0,2|1,0,0]=3 13313 B16R1.609 CC(O)CSCCCC(=O)c1ccccc1 62a_100000211006_100011218427 [0,0,0,0,0,2|2,0,0]=4 13314 B16R1.609 CC(O)CSCCCC(=O)c1ccccc1 62a_100011218427_100000211006 [0,0,0,0,0,2|2,0,0]=4 13315 B16R1.609 CC(O)CSCCNC(=O)c1ccccc1 62a_100011218427_200011215302 [0,0,0,0,0,2|2,0,0]=4 13316 B16R1.609 CC(O)CSCCNC(=O)c1ccccc1 62a_200011215302_100011218427 [0,0,0,0,0,2|2,0,0]=4 13317 B16R1.609 CC(O)CSCCOC(=O)c1ccccc1 62a_100009812718_100011218427 [0,0,0,0,0,2|1,0,0]=3 13318 B16R1.609 CC(O)CSCCOC(=O)c1ccccc1 62a_100011218427_100009812718 [0,0,0,0,0,2|1,0,0]=3 13319 B16R1.609 CN(C)CCCCNC(=O)c1ccccc1 240690a_100025707445_100000185807 [0,0,0,0,0,2|2,0,0]=4 13320 B16R1.609 CN(C)CCCCOC(=O)c1ccccc1 269982a_100102631434_100000039408 [0,0,0,0,0,2|1,0,0]=3 13321 B16R1.609 CN(C)CCCSCC(=O)c1ccccc1 62a_100000211460_100000757444 [0,0,0,0,0,2|1,1,0]=4 13322 B16R1.609 CN(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000755713 [0,0,0,0,0,2|1,1,0]=4 13323 B16R1.609 CN(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000755713 [0,0,0,0,0,2|1,0,0]=3 13324 B16R1.609 C[C@@H](Cl)COCCOC(=O)c1ccccc1 34a_100016084084_100009812718 [0,0,0,0,0,2|1,0,0]=3 13325 B16R1.609 C[C@@H](N)COCCOC(=O)c1ccccc1 34a_100000737577_100009812718 [0,0,0,0,0,2|1,0,0]=3 13326 B16R1.609 C[C@@H](O)CNCCNC(=O)c1ccccc1 2230a_100000736134_100009817552 [0,0,0,0,0,2|2,0,0]=4 13327 B16R1.609 C[C@@H](O)COCCNC(=O)c1ccccc1 34a_200000158897_100009817552 [0,0,0,0,0,2|2,0,0]=4 13328 B16R1.609 C[C@@H](O)COCCNC(=O)c1ccccc1 7a_200000158897_100009817552 [0,0,0,0,0,2|2,0,0]=4 13329 B16R1.609 C[C@@H](O)COCCOC(=O)c1ccccc1 7a_100000025465_100009817552 [0,0,0,0,0,2|1,0,0]=3 13330 B16R1.609 C[C@@H](O)CSCCCC(=O)c1ccccc1 62a_100000211006_100009817552 [0,0,0,0,0,2|2,0,0]=4 13331 B16R1.609 C[C@@H](O)CSCCCC(=O)c1ccccc1 62a_100009817552_100000211006 [0,0,0,0,0,2|2,0,0]=4 13332 B16R1.609 C[C@@H](O)CSCCNC(=O)c1ccccc1 62a_100009817552_200011215302 [0,0,0,0,0,2|2,0,0]=4 13333 B16R1.609 C[C@@H](O)CSCCNC(=O)c1ccccc1 62a_200011215302_100009817552 [0,0,0,0,0,2|2,0,0]=4 13334 B16R1.609 C[C@@H](O)CSCCOC(=O)c1ccccc1 62a_100009812718_100009817552 [0,0,0,0,0,2|1,0,0]=3 13335 B16R1.609 C[C@@H](O)CSCCOC(=O)c1ccccc1 62a_100009817552_100009812718 [0,0,0,0,0,2|1,0,0]=3 13336 B16R1.609 O=C(OCCNCC(F)F)c1ccccc1 34a_100000765723_100009812718 [0,0,0,0,0,2|2,0,0]=4 13337 B16R1.609 O=C(OCCOCC(F)F)c1ccccc1 34a_100000743014_100009812718 [0,0,0,0,0,2|2,0,0]=4 13338 B16R1.609 O=C(OCCOCC(F)F)c1ccccc1 7a_100000025465_100011934356 [0,0,0,0,0,2|2,0,0]=4 13339 B16R1.609 O=C(OCCSCC(F)F)c1ccccc1 62a_100009812718_100011934356 [0,0,0,0,0,2|2,0,0]=4 13340 B16R1.609 O=C(OCCSCC(F)F)c1ccccc1 62a_100011934356_100009812718 [0,0,0,0,0,2|2,0,0]=4 13341 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)C 34a_200025717232_100000210312 [0,0,0,0,0,2|1,0,0]=3 13342 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)C 7a_200025717232_100000210626 [0,0,0,0,0,2|1,0,0]=3 13343 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)O 34a_200025717232_100012276601 [0,0,0,0,0,2|2,0,0]=4 13344 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)O 7a_200025717232_100012276601 [0,0,0,0,0,2|2,0,0]=4 13345 B16R1.610 C/C(=C\c1ccccc1)/COCCN(C)C 7a_200025717232_100000755713 [0,0,0,0,0,2|2,0,0]=4 13346 B16R1.610 C/C(=C\c1ccccc1)/COCOC(C)C 34a_200025717232_100000709892 [0,0,0,0,0,2|2,0,0]=4 13347 B16R1.610 C=C(C)CCOCC(=O)Nc1ccccc1 34a_100000246334_100000730704 [0,0,0,0,0,2|0,0,2]=4 13348 B16R1.610 C=C(C)CCOCC(=O)Nc1ccccc1 34a_100000764851_100000182850 [0,0,0,0,0,2|0,0,2]=4 13349 B16R1.610 C=C(C)CCOCC(=O)Oc1ccccc1 34a_100000764851_100009813826 [0,0,0,0,0,2|0,0,2]=4 13350 B16R1.610 CC(=CCOCC(=O)Nc1ccccc1)C 34a_100000246334_100000761012 [0,0,0,0,0,2|0,0,2]=4 13351 B16R1.610 CC(=CCOCC(=O)Nc1ccccc1)C 34a_100000753907_100000182850 [0,0,0,0,0,2|0,0,2]=4 13352 B16R1.610 CC(=CCOCC(=O)Oc1ccccc1)C 34a_100000753907_100009813826 [0,0,0,0,0,2|0,0,2]=4 13353 B16R1.610 CC(=O)CCOCC(=O)Cc1ccccc1 7a_100000759926_100000233483 [0,0,0,0,0,2|1,0,1]=4 13354 B16R1.610 CC(=O)CCOCC(=O)Nc1ccccc1 34a_100000759926_100000182850 [0,0,0,0,0,2|1,0,1]=4 13355 B16R1.610 CC(=O)CCOCC(=O)Nc1ccccc1 7a_100000759926_100000182850 [0,0,0,0,0,2|1,0,1]=4 13356 B16R1.610 CC(=O)CCOCC(=O)Oc1ccccc1 34a_100000759926_100009813826 [0,0,0,0,0,2|1,0,1]=4 13357 B16R1.610 CC(=O)CCOCC(=O)Oc1ccccc1 7a_100000759926_100009813826 [0,0,0,0,0,2|1,0,1]=4 13358 B16R1.610 CC(Br)CCOCC(=O)Nc1ccccc1 34a_100009893172_100000182850 [0,0,0,0,0,2|1,0,0]=3 13359 B16R1.610 CC(Br)CCOCC(=O)Oc1ccccc1 34a_100009893172_100009813826 [0,0,0,0,0,2|1,0,0]=3 13360 B16R1.610 CC(Br)COCCC(=O)Nc1ccccc1 34a_100012180447_100000242058 [0,0,0,0,0,2|2,0,0]=4 13361 B16R1.610 CC(C)CC=NNC(=O)Cc1ccccc1 4a_100000182964_100000185833 [0,0,0,0,0,2|1,0,1]=4 13362 B16R1.610 CC(C)CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011216152 [0,0,0,0,0,2|2,0,0]=4 13363 B16R1.610 CC(C)CCCCC(=O)Cc1ccccc1 1458a_100011933920_100015291786 [0,0,0,0,0,2|1,0,0]=3 13364 B16R1.610 CC(C)CCCCC(=O)Cc1ccccn1 1458a_100000233486_100011216152 [0,0,0,0,0,2|2,0,0]=4 13365 B16R1.610 CC(C)CCCCC(=O)Cc1ccccn1 1458a_100011933920_100000721315 [0,0,0,0,0,2|2,0,0]=4 13366 B16R1.610 CC(C)CCCCC(=O)Cc1cccnc1 1458a_100000737805_100011216152 [0,0,0,0,0,2|2,0,0]=4 13367 B16R1.610 CC(C)CCCCC(=O)Cc1cccnc1 1458a_100011933920_100000733263 [0,0,0,0,0,2|2,0,0]=4 13368 B16R1.610 CC(C)CCCCC(=O)Cc1ccncc1 1458a_100011933920_100000705612 [0,0,0,0,0,2|2,0,0]=4 13369 B16R1.610 CC(C)CCCCC(=O)Nc1ccccc1 11a_100000106764_100011933920 [0,0,0,0,0,2|1,0,0]=3 13370 B16R1.610 CC(C)CCCCC(=O)Nc1ccccc1 1626a_100000106764_100011933920 [0,0,0,0,0,2|1,0,0]=3 13371 B16R1.610 CC(C)CCCCC(=O)Nc1ccccc1 22a_100000106764_100011933920 [0,0,0,0,0,2|1,0,0]=3 13372 B16R1.610 CC(C)CCCCC(=O)Nc1ccccc1 527a_100000106764_100011933920 [0,0,0,0,0,2|1,0,0]=3 13373 B16R1.610 CC(C)CCCNC(=O)C[n+]1ccccc1 11a_200000737386_200000086051 [0,0,0,0,0,2|2,0,0]=4 13374 B16R1.610 CC(C)CCCNC(=O)C[n+]1ccccc1 240690a_200000737386_200000086051 [0,0,0,0,0,2|2,0,0]=4 13375 B16R1.610 CC(C)CCCNC(=O)C[n+]1ccccc1 527a_200000737386_200000086051 [0,0,0,0,0,2|2,0,0]=4 13376 B16R1.610 CC(C)CCCNC(=O)Cc1ccccn1 11a_200000737386_100000233486 [0,0,0,0,0,2|2,0,0]=4 13377 B16R1.610 CC(C)CCCNC(=O)Cc1cccnc1 11a_200000737386_100000737805 [0,0,0,0,0,2|2,0,0]=4 13378 B16R1.610 CC(C)CCCNC(=O)Cc1cccnc1 240690a_200000737386_100000737805 [0,0,0,0,0,2|2,0,0]=4 13379 B16R1.610 CC(C)CCCNC(=O)Cc1cccnc1 527a_200000737386_100000737805 [0,0,0,0,0,2|2,0,0]=4 13380 B16R1.610 CC(C)CCCNC(=O)Cc1ccncc1 11a_200000737386_100011201483 [0,0,0,0,0,2|2,0,0]=4 13381 B16R1.610 CC(C)CCCNC(=O)Cc1ccncc1 240690a_200000737386_100011201483 [0,0,0,0,0,2|2,0,0]=4 13382 B16R1.610 CC(C)CCCNC(=O)Nc1ccccc1 2430a_100000106764_200000737386 [0,0,0,0,0,2|1,0,0]=3 13383 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 34a_100000210774_200011218536 [0,0,0,0,0,2|1,0,1]=4 13384 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 34a_100000748627_100011214892 [0,0,0,0,0,2|1,0,1]=4 13385 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 7a_100000210774_200011218536 [0,0,0,0,0,2|1,0,1]=4 13386 B16R1.610 CC(C)CCCOC(C)Cc1ccccc1 7a_100000748627_100011214892 [0,0,0,0,0,2|1,0,1]=4 13387 B16R1.610 CC(C)CCOCC(=O)Cc1ccccc1 7a_100000210254_100000233483 [0,0,0,0,0,2|0,0,0]=2 13388 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 34a_100000210254_100000182850 [0,0,0,0,0,2|0,0,0]=2 13389 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210312 [0,0,0,0,0,2|0,0,0]=2 13390 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 7a_100000210254_100000182850 [0,0,0,0,0,2|0,0,0]=2 13391 B16R1.610 CC(C)CCOCC(=O)Nc1ccccn1 7a_100000210254_100020662008 [0,0,0,0,0,2|1,0,0]=3 13392 B16R1.610 CC(C)CCOCC(=O)Nc1ccncc1 7a_100000210254_100000754145 [0,0,0,0,0,2|1,0,0]=3 13393 B16R1.610 CC(C)CCOCC(=O)Nc1ncccn1 7a_100000210254_100000183248 [0,0,0,0,0,2|2,0,0]=4 13394 B16R1.610 CC(C)CCOCC(=O)Oc1ccccc1 34a_100000210254_100009813826 [0,0,0,0,0,2|0,0,0]=2 13395 B16R1.610 CC(C)CCOCC(=O)Oc1ccccc1 7a_100000210254_100009813826 [0,0,0,0,0,2|0,0,0]=2 13396 B16R1.610 CC(C)CCOCC(C)Cc1ccccc1 34a_100012125295_100000210312 [0,0,0,0,0,2|1,0,1]=4 13397 B16R1.610 CC(C)CCOCC(C)Cc1ccccc1 7a_100012125295_100000210626 [0,0,0,0,0,2|1,0,1]=4 13398 B16R1.610 CC(C)CCOCC(C)Oc1ccccc1 34a_200000036796_100000210312 [0,0,0,0,0,2|1,0,1]=4 13399 B16R1.610 CC(C)CCOCC(C)Oc1ccccc1 7a_200000036796_100000210626 [0,0,0,0,0,2|1,0,1]=4 13400 B16R1.610 CC(C)CCOCC(N)Cc1ccccc1 34a_100000739027_100000210312 [0,0,0,0,0,2|1,0,1]=4 13401 B16R1.610 CC(C)CCOC[C@@H](O)Cc1ccccc1 34a_100000210254_100000729385 [0,0,0,0,0,2|0,0,2]=4 13402 B16R1.610 CC(C)CCOC[C@@H](O)Cc1ccccc1 7a_100000210254_100000729385 [0,0,0,0,0,2|0,0,2]=4 13403 B16R1.610 CC(C)CCSCC(=O)Cc1ccccc1 62a_100000210312_100000233483 [0,0,0,0,0,2|0,1,0]=3 13404 B16R1.610 CC(C)CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210312 [0,0,0,0,0,2|0,1,0]=3 13405 B16R1.610 CC(C)CCSCC(=O)Nc1ccccc1 62a_100000210312_100000182850 [0,0,0,0,0,2|0,1,0]=3 13406 B16R1.610 CC(C)CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210312 [0,0,0,0,0,2|0,1,0]=3 13407 B16R1.610 CC(C)CCSCC(=O)Nc1ccccn1 62a_100000210312_100020662008 [0,0,0,0,0,2|1,1,0]=4 13408 B16R1.610 CC(C)CCSCC(=O)Nc1ccccn1 62a_100020662008_100000210312 [0,0,0,0,0,2|1,1,0]=4 13409 B16R1.610 CC(C)CCSCC(=O)Nc1ccncc1 62a_100000210312_100000754145 [0,0,0,0,0,2|1,1,0]=4 13410 B16R1.610 CC(C)CCSCC(=O)Oc1ccccc1 62a_100000210312_100009813826 [0,0,0,0,0,2|0,1,0]=3 13411 B16R1.610 CC(C)CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210312 [0,0,0,0,0,2|0,1,0]=3 13412 B16R1.610 CC(C)CNCCC(=O)Nc1ccccc1 2230a_100000210953_100000242058 [0,0,0,0,0,2|1,0,0]=3 13413 B16R1.610 CC(C)CNCCC(=O)Nc1ccccc1 34a_100000210953_100000242058 [0,0,0,0,0,2|1,0,0]=3 13414 B16R1.610 CC(C)CNCCC(=O)Nc1ccccn1 270004a_100000739302_100000210432 [0,0,0,0,0,2|2,0,0]=4 13415 B16R1.610 CC(C)CNCCC(=O)Nc1cccnc1 2230a_100000210953_200015187043 [0,0,0,0,0,2|2,0,0]=4 13416 B16R1.610 CC(C)CNCCC(=O)Nc1cccnc1 34a_100000748795_100000210624 [0,0,0,0,0,2|2,0,0]=4 13417 B16R1.610 CC(C)CNCCC(=O)Oc1ccccc1 2230a_100000210953_200000035796 [0,0,0,0,0,2|1,0,0]=3 13418 B16R1.610 CC(C)COCCC(=O)Nc1ccccc1 34a_100000210257_100000242058 [0,0,0,0,0,2|1,0,0]=3 13419 B16R1.610 CC(C)CSCCC(=O)Nc1ccccc1 62a_100000210624_100000242058 [0,0,0,0,0,2|1,0,0]=3 13420 B16R1.610 CC(C)CSCCC(=O)Nc1cccnc1 62a_100000210624_200015187043 [0,0,0,0,0,2|2,0,0]=4 13421 B16R1.610 CC(C)CSCCC(=O)Oc1ccccc1 62a_100000210624_200000035796 [0,0,0,0,0,2|1,0,0]=3 13422 B16R1.610 CC(C)NCCCC(=O)Nc1ccccc1 2230a_100138425928_100011194425 [0,0,0,0,0,2|1,0,0]=3 13423 B16R1.610 CC(C)NCCCC(=O)Nc1ccccc1 34a_100000750157_100000210206 [0,0,0,0,0,2|1,0,0]=3 13424 B16R1.610 CC(C)NCCCC(=O)Nc1ccccc1 34a_100138425928_100011194425 [0,0,0,0,0,2|1,0,0]=3 13425 B16R1.610 CC(C)NCCOC(C)Cc1ccccc1 34a_100000224655_200011218536 [0,0,0,0,0,2|1,0,1]=4 13426 B16R1.610 CC(C)OCCCC(=O)Nc1ccccc1 34a_100000212225_100011194425 [0,0,0,0,0,2|1,0,0]=3 13427 B16R1.610 CC(C)OCCNC(=O)C[n+]1ccccc1 11a_100000701111_200000086051 [0,0,0,0,0,2|2,0,0]=4 13428 B16R1.610 CC(C)OCCNC(=O)C[n+]1ccccc1 240690a_100000701111_200000086051 [0,0,0,0,0,2|2,0,0]=4 13429 B16R1.610 CC(C)OCCNC(=O)C[n+]1ccccc1 527a_100000701111_200000086051 [0,0,0,0,0,2|2,0,0]=4 13430 B16R1.610 CC(C)OCCNC(=O)Cc1ccccn1 11a_100000701111_100000233486 [0,0,0,0,0,2|2,0,0]=4 13431 B16R1.610 CC(C)OCCNC(=O)Cc1cccnc1 11a_100000701111_100000737805 [0,0,0,0,0,2|2,0,0]=4 13432 B16R1.610 CC(C)OCCNC(=O)Cc1cccnc1 240690a_100000701111_100000737805 [0,0,0,0,0,2|2,0,0]=4 13433 B16R1.610 CC(C)OCCNC(=O)Cc1cccnc1 527a_100000701111_100000737805 [0,0,0,0,0,2|2,0,0]=4 13434 B16R1.610 CC(C)OCCNC(=O)Cc1ccncc1 11a_100000701111_100011201483 [0,0,0,0,0,2|2,0,0]=4 13435 B16R1.610 CC(C)OCCNC(=O)Cc1ccncc1 240690a_100000701111_100011201483 [0,0,0,0,0,2|2,0,0]=4 13436 B16R1.610 CC(C)OCCNC(=O)Nc1ccccc1 2430a_100000106764_100000701111 [0,0,0,0,0,2|1,0,0]=3 13437 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 34a_100000211219_200011218536 [0,0,0,0,0,2|1,0,1]=4 13438 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 34a_100000748627_100000211751 [0,0,0,0,0,2|1,0,1]=4 13439 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 7a_100000211219_200011218536 [0,0,0,0,0,2|1,0,1]=4 13440 B16R1.610 CC(C)OCCOC(C)Cc1ccccc1 7a_100000748627_100000211751 [0,0,0,0,0,2|1,0,1]=4 13441 B16R1.610 CC(C)OCOCC(=O)Nc1ccccc1 34a_100000246334_100000709892 [0,0,0,0,0,2|1,0,0]=3 13442 B16R1.610 CC(C)OCSCC(=O)Cc1ccccc1 62a_100000233483_100000709892 [0,0,0,0,0,2|1,1,0]=4 13443 B16R1.610 CC(C)OCSCC(=O)Cc1ccccc1 62a_100000709892_100000233483 [0,0,0,0,0,2|1,1,0]=4 13444 B16R1.610 CC(C)OCSCC(=O)Nc1ccccc1 62a_100000709892_100000182850 [0,0,0,0,0,2|1,1,0]=4 13445 B16R1.610 CC(C)OCSCC(=O)Nc1ccccc1 62a_100012148978_100000709892 [0,0,0,0,0,2|1,1,0]=4 13446 B16R1.610 CC(C)OCSCC(=O)Oc1ccccc1 62a_100000709892_100009813826 [0,0,0,0,0,2|1,1,0]=4 13447 B16R1.610 CC(C)OCSCC(=O)Oc1ccccc1 62a_100009813826_100000709892 [0,0,0,0,0,2|1,1,0]=4 13448 B16R1.610 CC(C)SCCCC(=O)Nc1ccccc1 62a_100000210206_100011194425 [0,0,0,0,0,2|1,0,0]=3 13449 B16R1.610 CC(C)SCCNC(=O)C[n+]1ccccc1 11a_100000731138_200000086051 [0,0,0,0,0,2|2,0,0]=4 13450 B16R1.610 CC(C)SCCNC(=O)C[n+]1ccccc1 240690a_100000731138_200000086051 [0,0,0,0,0,2|2,0,0]=4 13451 B16R1.610 CC(C)SCCNC(=O)C[n+]1ccccc1 527a_100000731138_200000086051 [0,0,0,0,0,2|2,0,0]=4 13452 B16R1.610 CC(C)SCCNC(=O)Cc1ccccn1 11a_100000731138_100000233486 [0,0,0,0,0,2|2,0,0]=4 13453 B16R1.610 CC(C)SCCNC(=O)Cc1cccnc1 11a_100000731138_100000737805 [0,0,0,0,0,2|2,0,0]=4 13454 B16R1.610 CC(C)SCCNC(=O)Cc1cccnc1 240690a_100000731138_100000737805 [0,0,0,0,0,2|2,0,0]=4 13455 B16R1.610 CC(C)SCCNC(=O)Cc1cccnc1 527a_100000731138_100000737805 [0,0,0,0,0,2|2,0,0]=4 13456 B16R1.610 CC(C)SCCNC(=O)Cc1ccncc1 11a_100000731138_100011201483 [0,0,0,0,0,2|2,0,0]=4 13457 B16R1.610 CC(C)SCCNC(=O)Cc1ccncc1 240690a_100000731138_100011201483 [0,0,0,0,0,2|2,0,0]=4 13458 B16R1.610 CC(C)SCCNC(=O)Nc1ccccc1 2430a_100000106764_100000731138 [0,0,0,0,0,2|1,0,0]=3 13459 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 34a_100000748627_100000730970 [0,0,0,0,0,2|1,0,1]=4 13460 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 34a_200011212901_200011218536 [0,0,0,0,0,2|1,0,1]=4 13461 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 7a_100000748627_100000730970 [0,0,0,0,0,2|1,0,1]=4 13462 B16R1.610 CC(Cc1ccccc1)OCCSC(C)C 7a_200011212901_200011218536 [0,0,0,0,0,2|1,0,1]=4 13463 B16R1.610 CC(F)COCCC(=O)Nc1ccccc1 34a_100015925927_100000242058 [0,0,0,0,0,2|2,0,0]=4 13464 B16R1.610 CC(O)CCNCC(=O)Cc1ccccc1 2230a_200000755665_100000233483 [0,0,0,0,0,2|2,0,0]=4 13465 B16R1.610 CC(O)CCNCC(=O)Nc1ccccc1 2230a_200000755665_100000182850 [0,0,0,0,0,2|2,0,0]=4 13466 B16R1.610 CC(O)CCNCC(=O)Oc1ccccc1 2230a_200000755665_100009813826 [0,0,0,0,0,2|2,0,0]=4 13467 B16R1.610 CC(O)CCOCC(=O)Nc1ccccc1 34a_100000246334_100012276601 [0,0,0,0,0,2|1,0,0]=3 13468 B16R1.610 CC(O)CCSCC(=O)Cc1ccccc1 62a_100000233483_100012276601 [0,0,0,0,0,2|1,1,0]=4 13469 B16R1.610 CC(O)CCSCC(=O)Cc1ccccc1 62a_100012276601_100000233483 [0,0,0,0,0,2|1,1,0]=4 13470 B16R1.610 CC(O)CCSCC(=O)Nc1ccccc1 62a_100012148978_100012276601 [0,0,0,0,0,2|1,1,0]=4 13471 B16R1.610 CC(O)CCSCC(=O)Nc1ccccc1 62a_100012276601_100000182850 [0,0,0,0,0,2|1,1,0]=4 13472 B16R1.610 CC(O)CCSCC(=O)Oc1ccccc1 62a_100009813826_100012276601 [0,0,0,0,0,2|1,1,0]=4 13473 B16R1.610 CC(O)CCSCC(=O)Oc1ccccc1 62a_100012276601_100009813826 [0,0,0,0,0,2|1,1,0]=4 13474 B16R1.610 CC(O)CNCCC(=O)Nc1ccccc1 2230a_100000210904_100000242058 [0,0,0,0,0,2|2,0,0]=4 13475 B16R1.610 CC(O)CNCCC(=O)Nc1ccccc1 34a_100000210904_100000242058 [0,0,0,0,0,2|2,0,0]=4 13476 B16R1.610 CC(O)CNCCC(=O)Oc1ccccc1 2230a_100000210904_200000035796 [0,0,0,0,0,2|2,0,0]=4 13477 B16R1.610 CC(O)CSCCC(=O)Nc1ccccc1 62a_100011218427_100000242058 [0,0,0,0,0,2|2,0,0]=4 13478 B16R1.610 CC(O)CSCCC(=O)Oc1ccccc1 62a_100011218427_200000035796 [0,0,0,0,0,2|2,0,0]=4 13479 B16R1.610 CN(C)CCCCC(=O)Nc1ccccc1 11a_100000106764_100000751710 [0,0,0,0,0,2|2,0,0]=4 13480 B16R1.610 CN(C)CCCCC(=O)Nc1ccccc1 22a_100000106764_100000751710 [0,0,0,0,0,2|2,0,0]=4 13481 B16R1.610 CN(C)CCCCC(=O)Nc1ccccc1 527a_100000106764_100000751710 [0,0,0,0,0,2|2,0,0]=4 13482 B16R1.610 CN(C)CCSCC(=O)Cc1ccccc1 62a_100000233483_100000755713 [0,0,0,0,0,2|1,1,0]=4 13483 B16R1.610 CN(C)CCSCC(=O)Nc1ccccc1 62a_100012148978_100000755713 [0,0,0,0,0,2|1,1,0]=4 13484 B16R1.610 CN(C)CCSCC(=O)Oc1ccccc1 62a_100009813826_100000755713 [0,0,0,0,0,2|1,1,0]=4 13485 B16R1.610 C[C@@H](Cl)COCCC(=O)Nc1ccccc1 34a_100016084084_100000242058 [0,0,0,0,0,2|2,0,0]=4 13486 B16R1.610 C[C@@H](N)CCOCC(=O)Nc1ccccc1 34a_100000706166_100000182850 [0,0,0,0,0,2|1,0,0]=3 13487 B16R1.610 C[C@@H](N)CCOCC(=O)Oc1ccccc1 34a_100000706166_100009813826 [0,0,0,0,0,2|1,0,0]=3 13488 B16R1.610 C[C@@H](N)COCCC(=O)Nc1ccccc1 34a_100000737577_100000242058 [0,0,0,0,0,2|2,0,0]=4 13489 B16R1.610 C[C@@H](O)CSCCC(=O)Nc1ccccc1 62a_100009817552_100000242058 [0,0,0,0,0,2|2,0,0]=4 13490 B16R1.610 C[C@@H](O)CSCCC(=O)Oc1ccccc1 62a_100009817552_200000035796 [0,0,0,0,0,2|2,0,0]=4 13491 B16R1.610 O=C(COCCC(F)F)Nc1ccccc1 34a_100103093639_100000182850 [0,0,0,0,0,2|2,0,0]=4 13492 B16R1.610 O=C(COCCC(F)F)Oc1ccccc1 34a_100103093639_100009813826 [0,0,0,0,0,2|2,0,0]=4 13493 B16R1.608 CC(=NNc1ccccc1)CCCC(C)C 4a_100015195140_100000753411 [0,0,0,0,0,2|2,0,0]=4 13494 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011214892 [0,0,0,0,0,2|1,0,0]=3 13495 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100011214892 [0,0,0,0,0,2|2,0,0]=4 13496 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,0,0,0,0,2|1,0,0]=3 13497 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214892 [0,0,0,0,0,2|2,0,0]=4 13498 B16R1.608 CC(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214892 [0,0,0,0,0,2|2,0,0]=4 13499 B16R1.608 CC(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214892 [0,0,0,0,0,2|2,0,0]=4 13500 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100011214892 [0,0,0,0,0,2|1,0,0]=3 13501 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100011216857_100000765856 [0,0,0,0,0,2|1,0,0]=3 13502 B16R1.608 CC(C)CCCC(=O)CCc1ccccn1 1458a_100011216857_100015183660 [0,0,0,0,0,2|2,0,0]=4 13503 B16R1.608 CC(C)CCCC(=O)CCc1ccccn1 1458a_100015195070_100011214892 [0,0,0,0,0,2|2,0,0]=4 13504 B16R1.608 CC(C)CCCC(=O)CCc1cccnc1 1458a_100000198484_100011214892 [0,0,0,0,0,2|2,0,0]=4 13505 B16R1.608 CC(C)CCCC(=O)CCc1cccnc1 1458a_100011216857_200011713674 [0,0,0,0,0,2|2,0,0]=4 13506 B16R1.608 CC(C)CCCC(=O)CCc1ccncc1 1458a_100011216857_100000723409 [0,0,0,0,0,2|2,0,0]=4 13507 B16R1.608 CC(C)CCCC(=O)CCc1ccncc1 1458a_100011225043_100011214892 [0,0,0,0,0,2|2,0,0]=4 13508 B16R1.608 CC(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100011214892 [0,0,0,0,0,2|1,0,0]=3 13509 B16R1.608 CC(C)CCCC(=O)COc1ccccn1 1458a_100102699861_100011214892 [0,0,0,0,0,2|2,0,0]=4 13510 B16R1.608 CC(C)CCCC(=O)COc1cccnc1 1458a_100015207166_100011214892 [0,0,0,0,0,2|2,0,0]=4 13511 B16R1.608 CC(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100011214892 [0,0,0,0,0,2|1,0,0]=3 13512 B16R1.608 CC(C)CCCC(=O)CSc1ccccn1 1458a_100000156281_100011214892 [0,0,0,0,0,2|2,0,0]=4 13513 B16R1.608 CC(C)CCCC(=O)CSc1ccncc1 1458a_100000211328_100011214892 [0,0,0,0,0,2|2,0,0]=4 13514 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100011216857 [0,0,0,0,0,2|1,0,0]=3 13515 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 1626a_100015324214_100011216857 [0,0,0,0,0,2|1,0,0]=3 13516 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100011216857 [0,0,0,0,0,2|1,0,0]=3 13517 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 527a_100015324214_100011216857 [0,0,0,0,0,2|1,0,0]=3 13518 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 11a_100000210449_100011216857 [0,0,0,0,0,2|2,0,0]=4 13519 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 1626a_100000210449_100011216857 [0,0,0,0,0,2|2,0,0]=4 13520 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 240690a_100000210449_100011216857 [0,0,0,0,0,2|2,0,0]=4 13521 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 527a_100000210449_100011216857 [0,0,0,0,0,2|2,0,0]=4 13522 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 11a_100000210453_100011216857 [0,0,0,0,0,2|2,0,0]=4 13523 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 240690a_100000210453_100011216857 [0,0,0,0,0,2|2,0,0]=4 13524 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 527a_100000210453_100011216857 [0,0,0,0,0,2|2,0,0]=4 13525 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 11a_100000210450_100011216857 [0,0,0,0,0,2|2,0,0]=4 13526 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 1626a_100000210450_100011216857 [0,0,0,0,0,2|2,0,0]=4 13527 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 240690a_100000210450_100011216857 [0,0,0,0,0,2|2,0,0]=4 13528 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 527a_100000210450_100011216857 [0,0,0,0,0,2|2,0,0]=4 13529 B16R1.608 CC(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100011216857 [0,0,0,0,0,2|1,0,0]=3 13530 B16R1.608 CC(C)CCCC(=O)NNc1ccccn1 22a_100000183288_100011216857 [0,0,0,0,0,2|2,0,0]=4 13531 B16R1.608 CC(C)CCCC(=O)NNc1cccnc1 22a_100000728903_100011216857 [0,0,0,0,0,2|2,0,0]=4 13532 B16R1.608 CC(C)CCCC(=O)NNc1ccncc1 22a_100000698918_100011216857 [0,0,0,0,0,2|2,0,0]=4 13533 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210545_100000736102 [0,0,0,0,0,2|1,0,0]=3 13534 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,0,0,0,0,2|1,0,0]=3 13535 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,0,0,0,0,2|1,0,0]=3 13536 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 11a_100000210545_100000740811 [0,0,0,0,0,2|2,0,0]=4 13537 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210545_100000740811 [0,0,0,0,0,2|2,0,0]=4 13538 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 11a_100000210545_100000735890 [0,0,0,0,0,2|2,0,0]=4 13539 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210545_100000735890 [0,0,0,0,0,2|2,0,0]=4 13540 B16R1.608 CC(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210545_100000682801 [0,0,0,0,0,2|2,0,0]=4 13541 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 11a_100000210545_100000185753 [0,0,0,0,0,2|1,0,0]=3 13542 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 1626a_100000210545_100000185753 [0,0,0,0,0,2|1,0,0]=3 13543 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 240690a_100000210545_100000185753 [0,0,0,0,0,2|1,0,0]=3 13544 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 527a_100000210545_100000185753 [0,0,0,0,0,2|1,0,0]=3 13545 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 11a_100000210545_100015195070 [0,0,0,0,0,2|2,0,0]=4 13546 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 240690a_100000210545_100015195070 [0,0,0,0,0,2|2,0,0]=4 13547 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 527a_100000210545_100015195070 [0,0,0,0,0,2|2,0,0]=4 13548 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 11a_100000210545_100000198484 [0,0,0,0,0,2|2,0,0]=4 13549 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 1626a_100000210545_100000198484 [0,0,0,0,0,2|2,0,0]=4 13550 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 240690a_100000210545_100000198484 [0,0,0,0,0,2|2,0,0]=4 13551 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 527a_100000210545_100000198484 [0,0,0,0,0,2|2,0,0]=4 13552 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 11a_100000210545_100011225043 [0,0,0,0,0,2|2,0,0]=4 13553 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 240690a_100000210545_100011225043 [0,0,0,0,0,2|2,0,0]=4 13554 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 527a_100000210545_100011225043 [0,0,0,0,0,2|2,0,0]=4 13555 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 11a_100000210545_100000186222 [0,0,0,0,0,2|1,0,0]=3 13556 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 1626a_100000210545_100000186222 [0,0,0,0,0,2|1,0,0]=3 13557 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 240690a_100000210545_100000186222 [0,0,0,0,0,2|1,0,0]=3 13558 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 527a_100000210545_100000186222 [0,0,0,0,0,2|1,0,0]=3 13559 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 1626a_100000210545_100102699861 [0,0,0,0,0,2|2,0,0]=4 13560 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 240690a_100000210545_100102699861 [0,0,0,0,0,2|2,0,0]=4 13561 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 527a_100000210545_100102699861 [0,0,0,0,0,2|2,0,0]=4 13562 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 11a_100000210545_100015207166 [0,0,0,0,0,2|2,0,0]=4 13563 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 1626a_100000210545_100015207166 [0,0,0,0,0,2|2,0,0]=4 13564 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 240690a_100000210545_100015207166 [0,0,0,0,0,2|2,0,0]=4 13565 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 527a_100000210545_100015207166 [0,0,0,0,0,2|2,0,0]=4 13566 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 11a_100000210545_100000211596 [0,0,0,0,0,2|1,0,0]=3 13567 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 1626a_100000210545_100000211596 [0,0,0,0,0,2|1,0,0]=3 13568 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 240690a_100000210545_100000211596 [0,0,0,0,0,2|1,0,0]=3 13569 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 527a_100000210545_100000211596 [0,0,0,0,0,2|1,0,0]=3 13570 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 11a_100000210545_100000156281 [0,0,0,0,0,2|2,0,0]=4 13571 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 240690a_100000210545_100000156281 [0,0,0,0,0,2|2,0,0]=4 13572 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 527a_100000210545_100000156281 [0,0,0,0,0,2|2,0,0]=4 13573 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 11a_100000210545_100000211328 [0,0,0,0,0,2|2,0,0]=4 13574 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 1626a_100000210545_100000211328 [0,0,0,0,0,2|2,0,0]=4 13575 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 240690a_100000210545_100000211328 [0,0,0,0,0,2|2,0,0]=4 13576 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 527a_100000210545_100000211328 [0,0,0,0,0,2|2,0,0]=4 13577 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100000210545_100015324214 [0,0,0,0,0,2|1,0,0]=3 13578 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210545 [0,0,0,0,0,2|1,0,0]=3 13579 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100000210545_100015324214 [0,0,0,0,0,2|1,0,0]=3 13580 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210545 [0,0,0,0,0,2|1,0,0]=3 13581 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100000210545_100015324214 [0,0,0,0,0,2|1,0,0]=3 13582 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210545 [0,0,0,0,0,2|1,0,0]=3 13583 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 2708a_100000210449_100000210545 [0,0,0,0,0,2|2,0,0]=4 13584 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 2708a_100000210545_100000210449 [0,0,0,0,0,2|2,0,0]=4 13585 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 273464a_100000210449_100000210545 [0,0,0,0,0,2|2,0,0]=4 13586 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 273464a_100000210545_100000210449 [0,0,0,0,0,2|2,0,0]=4 13587 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 512a_100000210545_100000210449 [0,0,0,0,0,2|2,0,0]=4 13588 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 2708a_100000210453_100000210545 [0,0,0,0,0,2|2,0,0]=4 13589 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 2708a_100000210545_100000210453 [0,0,0,0,0,2|2,0,0]=4 13590 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 273464a_100000210453_100000210545 [0,0,0,0,0,2|2,0,0]=4 13591 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 273464a_100000210545_100000210453 [0,0,0,0,0,2|2,0,0]=4 13592 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 512a_100000210453_100000210545 [0,0,0,0,0,2|2,0,0]=4 13593 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 512a_100000210545_100000210453 [0,0,0,0,0,2|2,0,0]=4 13594 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 2708a_100000210450_100000210545 [0,0,0,0,0,2|2,0,0]=4 13595 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 2708a_100000210545_100000210450 [0,0,0,0,0,2|2,0,0]=4 13596 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 273464a_100000210450_100000210545 [0,0,0,0,0,2|2,0,0]=4 13597 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 273464a_100000210545_100000210450 [0,0,0,0,0,2|2,0,0]=4 13598 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 512a_100000210545_100000210450 [0,0,0,0,0,2|2,0,0]=4 13599 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 273464a_100000210545_100015195140 [0,0,0,0,0,2|1,0,0]=3 13600 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 512a_100000210545_100015195140 [0,0,0,0,0,2|1,0,0]=3 13601 B16R1.608 CC(C)CCNC(=O)NNc1ccccn1 273464a_100000210545_100000183288 [0,0,0,0,0,2|2,0,0]=4 13602 B16R1.608 CC(C)CCNC(=O)NNc1ccccn1 512a_100000210545_100000183288 [0,0,0,0,0,2|2,0,0]=4 13603 B16R1.608 CC(C)CCNC(=O)NNc1cccnc1 273464a_100000210545_100000728903 [0,0,0,0,0,2|2,0,0]=4 13604 B16R1.608 CC(C)CCNC(=O)NNc1cccnc1 512a_100000210545_100000728903 [0,0,0,0,0,2|2,0,0]=4 13605 B16R1.608 CC(C)CCNC(=O)NNc1ccncc1 273464a_100000210545_100000698918 [0,0,0,0,0,2|2,0,0]=4 13606 B16R1.608 CC(C)CCNC(=O)NNc1ccncc1 512a_100000210545_100000698918 [0,0,0,0,0,2|2,0,0]=4 13607 B16R1.608 CC(C)CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210312 [0,0,0,0,0,2|1,0,1]=4 13608 B16R1.608 CC(C)CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210626 [0,0,0,0,0,2|1,0,1]=4 13609 B16R1.608 CC(C)CCOC(C)COc1ccccc1 34a_100000210911_100000210312 [0,0,0,0,0,2|1,0,1]=4 13610 B16R1.608 CC(C)CCOC(C)COc1ccccc1 7a_100000210911_100000210626 [0,0,0,0,0,2|1,0,1]=4 13611 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210312 [0,0,0,0,0,2|1,0,1]=4 13612 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210626 [0,0,0,0,0,2|1,0,1]=4 13613 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 2230a_100000210953_100012361361 [0,0,0,0,0,2|2,0,0]=4 13614 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 34a_100000210953_100012361361 [0,0,0,0,0,2|2,0,0]=4 13615 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000210953_100000183539 [0,0,0,0,0,2|2,0,0]=4 13616 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000739245_100000210760 [0,0,0,0,0,2|2,0,0]=4 13617 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 270004a_100000739245_100000210432 [0,0,0,0,0,2|2,0,0]=4 13618 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 34a_100000210953_100000183539 [0,0,0,0,0,2|2,0,0]=4 13619 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 2230a_100000210953_100000753625 [0,0,0,0,0,2|2,0,0]=4 13620 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 34a_100000210953_100000753625 [0,0,0,0,0,2|2,0,0]=4 13621 B16R1.608 CC(C)CNNC(=O)C#Cc1ccccc1 22a_100000696102_100000736102 [0,0,0,0,0,2|2,0,0]=4 13622 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,0,0,0,0,2|2,0,0]=4 13623 B16R1.608 CC(C)CNNC(=O)CCc1ccccc1 22a_100000696102_100000185753 [0,0,0,0,0,2|2,0,0]=4 13624 B16R1.608 CC(C)CNNC(=O)COc1ccccc1 22a_100000696102_100000186222 [0,0,0,0,0,2|2,0,0]=4 13625 B16R1.608 CC(C)CNNC(=O)CSc1ccccc1 22a_100000696102_100000211596 [0,0,0,0,0,2|2,0,0]=4 13626 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 273464a_100015324214_100000696102 [0,0,0,0,0,2|2,0,0]=4 13627 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100000696102_100015324214 [0,0,0,0,0,2|2,0,0]=4 13628 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100015324214_100000696102 [0,0,0,0,0,2|2,0,0]=4 13629 B16R1.608 CC(C)CNNC(=O)NNc1ccccc1 512a_100000696102_100015195140 [0,0,0,0,0,2|2,0,0]=4 13630 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 1458a_100011223364_100000765856 [0,0,0,0,0,2|2,0,0]=4 13631 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 34a_100000210257_100012361361 [0,0,0,0,0,2|2,0,0]=4 13632 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 11a_100015324214_100011223364 [0,0,0,0,0,2|2,0,0]=4 13633 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 1626a_100015324214_100011223364 [0,0,0,0,0,2|2,0,0]=4 13634 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 240690a_100015324214_100011223364 [0,0,0,0,0,2|2,0,0]=4 13635 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 34a_100000210257_100000183539 [0,0,0,0,0,2|2,0,0]=4 13636 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 527a_100015324214_100011223364 [0,0,0,0,0,2|2,0,0]=4 13637 B16R1.608 CC(C)COCC(=O)NNc1ccccc1 22a_100015195140_100011223364 [0,0,0,0,0,2|2,0,0]=4 13638 B16R1.608 CC(C)COCC(=O)OCc1ccccc1 34a_100000210257_100000753625 [0,0,0,0,0,2|2,0,0]=4 13639 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100000210624_100012361361 [0,0,0,0,0,2|2,0,0]=4 13640 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100012361361_100000210760 [0,0,0,0,0,2|2,0,0]=4 13641 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000183539_100000210760 [0,0,0,0,0,2|2,0,0]=4 13642 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000210624_100000183539 [0,0,0,0,0,2|2,0,0]=4 13643 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000210624_100000753625 [0,0,0,0,0,2|2,0,0]=4 13644 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000753625_100000210760 [0,0,0,0,0,2|2,0,0]=4 13645 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 2230a_100025741942_100000210206 [0,0,0,0,0,2|2,0,0]=4 13646 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 34a_100025741942_100000210206 [0,0,0,0,0,2|2,0,0]=4 13647 B16R1.608 CC(C)NCCC(=O)OCc1ccccc1 2230a_100138425928_100009813219 [0,0,0,0,0,2|2,0,0]=4 13648 B16R1.608 CC(C)OCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000211751 [0,0,0,0,0,2|2,0,0]=4 13649 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,0,0,0,0,2|2,0,0]=4 13650 B16R1.608 CC(C)OCCC(=O)CCc1ccccc1 1458a_100000185753_100000211751 [0,0,0,0,0,2|2,0,0]=4 13651 B16R1.608 CC(C)OCCC(=O)COc1ccccc1 1458a_100000186222_100000211751 [0,0,0,0,0,2|2,0,0]=4 13652 B16R1.608 CC(C)OCCC(=O)CSc1ccccc1 1458a_100000211596_100000211751 [0,0,0,0,0,2|2,0,0]=4 13653 B16R1.608 CC(C)OCCC(=O)OCc1ccccc1 7a_100009831632_100000210206 [0,0,0,0,0,2|2,0,0]=4 13654 B16R1.608 CC(C)SCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000730970 [0,0,0,0,0,2|2,0,0]=4 13655 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,0,0,0,0,2|2,0,0]=4 13656 B16R1.608 CC(C)SCCC(=O)CCc1ccccc1 1458a_100000185753_100000730970 [0,0,0,0,0,2|2,0,0]=4 13657 B16R1.608 CC(C)SCCC(=O)COc1ccccc1 1458a_100000186222_100000730970 [0,0,0,0,0,2|2,0,0]=4 13658 B16R1.608 CC(C)SCCC(=O)CSc1ccccc1 1458a_100000211596_100000730970 [0,0,0,0,0,2|2,0,0]=4 13659 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100000210206_100009813219 [0,0,0,0,0,2|2,0,0]=4 13660 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100009813219_100000210206 [0,0,0,0,0,2|2,0,0]=4 13661 B16R1.608 CC(O)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_200000718107 [0,0,0,0,0,2|2,0,0]=4 13662 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,0,0,0,0,2|2,0,0]=4 13663 B16R1.608 CC(O)CCCC(=O)CCc1ccccc1 1458a_100000185753_200000718107 [0,0,0,0,0,2|2,0,0]=4 13664 B16R1.608 CC(O)CCCC(=O)COc1ccccc1 1458a_100000186222_200000718107 [0,0,0,0,0,2|2,0,0]=4 13665 B16R1.608 CC(O)CCCC(=O)CSc1ccccc1 1458a_100000211596_200000718107 [0,0,0,0,0,2|2,0,0]=4 13666 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 1626a_100015324214_100000761597 [0,0,0,0,0,2|2,0,0]=4 13667 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 527a_100015324214_100000761597 [0,0,0,0,0,2|2,0,0]=4 13668 B16R1.608 CC(O)CCCC(=O)NNc1ccccc1 22a_100015195140_100000761597 [0,0,0,0,0,2|2,0,0]=4 13669 B16R1.608 CC(O)CCNC(=O)C#Cc1ccccc1 240690a_200000755665_100000736102 [0,0,0,0,0,2|2,0,0]=4 13670 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 240690a_200000755665_100000185753 [0,0,0,0,0,2|2,0,0]=4 13671 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 527a_200000755665_100000185753 [0,0,0,0,0,2|2,0,0]=4 13672 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 240690a_200000755665_100000186222 [0,0,0,0,0,2|2,0,0]=4 13673 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 527a_200000755665_100000186222 [0,0,0,0,0,2|2,0,0]=4 13674 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 240690a_200000755665_100000211596 [0,0,0,0,0,2|2,0,0]=4 13675 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 527a_200000755665_100000211596 [0,0,0,0,0,2|2,0,0]=4 13676 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 2708a_100015324214_200000755665 [0,0,0,0,0,2|2,0,0]=4 13677 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 273464a_200000755665_100015324214 [0,0,0,0,0,2|2,0,0]=4 13678 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_100015324214_200000755665 [0,0,0,0,0,2|2,0,0]=4 13679 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_200000755665_100015324214 [0,0,0,0,0,2|2,0,0]=4 13680 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 273464a_200000755665_100015195140 [0,0,0,0,0,2|2,0,0]=4 13681 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 512a_200000755665_100015195140 [0,0,0,0,0,2|2,0,0]=4 13682 B16R1.608 CN(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000695564 [0,0,0,0,0,2|2,0,0]=4 13683 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695564 [0,0,0,0,0,2|2,0,0]=4 13684 B16R1.608 CN(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100000695564 [0,0,0,0,0,2|2,0,0]=4 13685 B16R1.608 CN(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100000695564 [0,0,0,0,0,2|2,0,0]=4 13686 B16R1.608 CN(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100000695564 [0,0,0,0,0,2|2,0,0]=4 13687 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100000740757 [0,0,0,0,0,2|2,0,0]=4 13688 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100000740757 [0,0,0,0,0,2|2,0,0]=4 13689 B16R1.608 CN(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100000740757 [0,0,0,0,0,2|2,0,0]=4 13690 B16R1.608 CN(C)CCCC(=O)OCc1ccccc1 2230a_100102631434_100009813218 [0,0,0,0,0,2|2,0,0]=4 13691 B16R1.608 CN(C)CCCC(=O)OCc1ccccc1 269982a_100102631434_100009813218 [0,0,0,0,0,2|2,0,0]=4 13692 B16R1.608 CN(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210585_100000736102 [0,0,0,0,0,2|2,0,0]=4 13693 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 240690a_100000210585_100000185753 [0,0,0,0,0,2|2,0,0]=4 13694 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 527a_100000210585_100000185753 [0,0,0,0,0,2|2,0,0]=4 13695 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 240690a_100000210585_100000186222 [0,0,0,0,0,2|2,0,0]=4 13696 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 527a_100000210585_100000186222 [0,0,0,0,0,2|2,0,0]=4 13697 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 240690a_100000210585_100000211596 [0,0,0,0,0,2|2,0,0]=4 13698 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 527a_100000210585_100000211596 [0,0,0,0,0,2|2,0,0]=4 13699 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210585 [0,0,0,0,0,2|2,0,0]=4 13700 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 273464a_100000210585_100015324214 [0,0,0,0,0,2|2,0,0]=4 13701 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210585 [0,0,0,0,0,2|2,0,0]=4 13702 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210585 [0,0,0,0,0,2|2,0,0]=4 13703 B16R1.608 CN(C)CCNC(=O)NNc1ccccc1 273464a_100000210585_100015195140 [0,0,0,0,0,2|2,0,0]=4 13704 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 2230a_100016987931_200000210301 [0,0,0,0,0,2|2,0,0]=4 13705 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 2230a_100102631434_100012357035 [0,0,0,0,0,2|2,0,0]=4 13706 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 269982a_100016987931_200000210301 [0,0,0,0,0,2|2,0,0]=4 13707 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 269982a_100102631434_100012357035 [0,0,0,0,0,2|2,0,0]=4 13708 B16R1.608 CN([13CH3])CCNC(=O)OCc1ccccc1 2230a_100016987931_200025704644 [0,0,0,0,0,2|2,0,0]=4 13709 B16R1.608 CN([13CH3])CCNC(=O)OCc1ccccc1 269982a_100016987931_200025704644 [0,0,0,0,0,2|2,0,0]=4