0 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.107 CC(=O)CN(C)c1ncccn1 1458a_200000737684_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,0,0,0,0,0|2,0,0]=2 29 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,0,0,0,0|1,0,0]=1 35 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,0,0,0,0|1,0,0]=1 36 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,0,0,0,0|1,0,0]=1 37 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.107 CC(=O)OC(C)N1CC=CCC1 269982a_100000698166_100009818208 [0,0,0,0,0,0|1,0,3]=4 41 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,0,0,0,0,0|2,0,1]=3 46 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,0,0,0,0,0|1,0,1]=2 52 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,0,0,0,0,0|1,0,1]=2 53 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,0,0,0,0,0|1,0,1]=2 54 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,0,0,0,0,0|1,1,1]=3 55 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,0,0,0,0,0|1,1,1]=3 56 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,0,0|1,0,0]=1 57 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,0,0,0,0,0|2,0,2]=4 63 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,0,0,0,0|3,0,0]=3 72 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,0,0,0,0|2,0,0]=2 74 B12R1.107 CN(CC(=O)[13CH3])c1ncccn1 1458a_200000737684_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,0,0,0,0|3,0,0]=3 76 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,0,0,0,0,0|2,0,2]=4 82 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,0,0,0,0,0|2,0,2]=4 83 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,0,0,0,0,0|2,0,2]=4 84 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,0,0,0,0,0|1,1,1]=4 106 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,0,0,0,0,0|1,1,1]=4 107 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,0,0,0,0|2,0,1]=4 110 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,0,0,0,0|1,0,1]=3 117 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,0,0,0,0|1,0,1]=3 125 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,0,0,0,0|0,0,1]=2 126 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,0,0,0,0|0,0,1]=2 127 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,0,0,0,0|0,0,1]=2 128 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,0,0,0,0|0,1,1]=3 129 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,0,0,0,0|0,1,1]=3 130 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,0,0,0,0|2,0,0]=3 139 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,0,0,0,0,0|1,0,1]=3 164 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,0,0,0,0,0|1,0,1]=3 165 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|1,0,1]=3 177 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|1,0,1]=3 179 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|1,0,0]=2 183 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|1,0,0]=2 184 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,0|2,0,0]=3 188 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,0|2,0,0]=3 189 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|1,0,0]=2 197 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|1,0,0]=2 198 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|1,0,0]=2 199 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|1,0,0]=2 200 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,0|2,0,0]=3 211 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,0|2,0,0]=3 212 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,0|2,0,0]=3 214 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|2,0,0]=3 227 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,0,0,0,0,0|2,0,1]=4 233 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,0,0,0,0,0|1,0,1]=3 236 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,0,0,0,0,0|1,0,1]=3 237 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,0,0,0,0,0|1,0,1]=3 238 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,0,0,0,0,0|1,1,1]=4 241 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,0,0,0,0,0|1,1,1]=4 242 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|3,0,0]=4 252 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|3,0,0]=4 257 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|1,0,1]=3 258 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|1,0,1]=3 260 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|1,0,0]=2 264 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [0,1,0,0,0,0|1,0,1]=3 274 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,1,0,0,0,0|1,0,1]=3 279 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,1,0,0,0,0|1,1,1]=4 280 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,1,0,0,0,0|1,0,1]=3 281 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,1,0,0,0,0|1,0,1]=3 282 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,1,0,0,0,0|1,0,1]=3 283 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,1,0,0,0,0|2,0,1]=4 284 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,1,0,0,0,0|2,0,1]=4 285 B13R1.11 C=CC(=O)NC(C)c1ccccn1 1626a_100000181244_100000185746 [0,1,0,0,0,0|2,0,1]=4 286 B13R1.11 C=CC(=O)NC(C)c1ccccn1 240690a_100000181244_200121576911 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.11 C=CC(=O)NC(C)c1cccnc1 240690a_100000195435_200121576911 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.11 C=CC(=O)NC(C)c1ccncc1 240690a_100000181269_200121576911 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185746 [0,1,0,0,0,0|1,0,1]=3 290 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_200121576911 [0,1,0,0,0,0|1,0,1]=3 291 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,1,0,0,0,0|1,0,1]=3 292 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,1,0,0,0,0|1,1,1]=4 293 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,0,0,0,0|1,0,1]=3 294 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,1,0,0,0,0|1,0,1]=3 297 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,1,0,0,0,0|1,0,1]=3 298 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,1,0,0,0,0|1,1,1]=4 299 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,1,0,0,0,0|1,1,1]=4 300 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,1,0,0,0,0|1,0,0]=2 301 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,0,0,0,0|1,0,0]=2 302 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,0|1,0,1]=3 303 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,0|1,0,1]=3 304 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,0|1,0,1]=3 305 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,0,0,0,0|1,0,2]=4 306 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,0|0,0,2]=3 307 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,0|0,0,2]=3 308 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,0,0,0,0|0,1,2]=4 309 B13R1.11 CC(NC(=O)CO)c1ccccn1 240690a_100000181244_100000210174 [0,1,0,0,0,0|2,0,0]=3 310 B13R1.11 CC(NC(=O)CO)c1ccccn1 527a_100000181244_100000210174 [0,1,0,0,0,0|2,0,0]=3 311 B13R1.11 CC(NC(=O)CO)c1cccnc1 240690a_100000195435_100000210174 [0,1,0,0,0,0|2,0,0]=3 312 B13R1.11 CC(NC(=O)CO)c1cccnc1 527a_100000195435_100000210174 [0,1,0,0,0,0|2,0,0]=3 313 B13R1.11 CC(NC(=O)CO)c1ccncc1 240690a_100000181269_100000210174 [0,1,0,0,0,0|2,0,0]=3 314 B13R1.11 CC(NC(=O)CO)c1ccncc1 527a_100000181269_100000210174 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.11 CC(NC(=O)CO)c1ncccn1 240690a_100020641698_100000210174 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.11 CC(NC(=O)CO)c1ncccn1 527a_100020641698_100000210174 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,0,0,0,0|2,0,1]=4 318 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,0,0,0,0|1,0,2]=4 319 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,0,0,0,0|1,0,2]=4 320 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,0,0,0,0|0,1,2]=4 321 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,0,0,0,0|0,1,2]=4 322 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,0,0,0,0|1,0,1]=3 323 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,1,0,0,0,0|1,0,0]=2 326 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,1,0,0,0,0|1,0,0]=2 327 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,1,0,0,0,0|2,0,0]=3 328 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,1,0,0,0,0|2,0,0]=3 329 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [0,1,0,0,0,0|2,0,0]=3 330 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [0,1,0,0,0,0|2,0,0]=3 331 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,1,0,0,0,0|2,0,0]=3 332 B13R1.11 CCC(=O)NC(C)c1ccccn1 11a_100000181244_100000210414 [0,1,0,0,0,0|2,0,0]=3 333 B13R1.11 CCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210414 [0,1,0,0,0,0|2,0,0]=3 334 B13R1.11 CCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210414 [0,1,0,0,0,0|2,0,0]=3 335 B13R1.11 CCC(=O)NC(C)c1ccccn1 527a_100000181244_100000210414 [0,1,0,0,0,0|2,0,0]=3 336 B13R1.11 CCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210414 [0,1,0,0,0,0|2,0,0]=3 337 B13R1.11 CCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210414 [0,1,0,0,0,0|2,0,0]=3 338 B13R1.11 CCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210414 [0,1,0,0,0,0|2,0,0]=3 339 B13R1.11 CCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000210414 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.11 CCC(=O)NC(C)c1ccncc1 527a_100000181269_100000210414 [0,1,0,0,0,0|2,0,0]=3 341 B13R1.11 CCC(=O)NC(C)c1ncccn1 11a_100020641698_100000210414 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.11 CCC(=O)NC(C)c1ncccn1 1626a_100020641698_100000210414 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.11 CCC(=O)NC(C)c1ncccn1 240690a_100020641698_100000210414 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.11 CCC(=O)NC(C)c1ncccn1 527a_100020641698_100000210414 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,1,0,0,0,0|1,0,0]=2 346 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,1,0,0,0,0|1,0,0]=2 347 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,1,0,0,0,0|1,0,0]=2 348 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,1,0,0,0,0|1,0,0]=2 349 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100000210414 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100000210414 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.11 CCC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100000210414 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,0|2,0,1]=4 355 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,0|1,0,1]=3 356 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,0|1,0,1]=3 357 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,0|1,0,1]=3 358 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,0|1,1,1]=4 359 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,0|1,1,1]=4 360 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [0,1,0,0,0,0|2,0,0]=3 363 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,0,0,0,0|1,0,1]=3 364 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,0,0,0,0|1,0,1]=3 365 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,0,0,0,0|1,0,1]=3 366 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,0,0,0,0|1,0,1]=3 367 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,0,0,0,0|1,0,0]=2 369 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,0,0,0,0|1,0,0]=2 370 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,0,0,0,0|1,0,0]=2 371 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,0,0,0,0|1,0,0]=2 372 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,1,0,0,0,0|2,0,0]=3 374 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,1,0,0,0,0|2,0,0]=3 375 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,1,0,0,0,0|2,0,0]=3 376 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,1,0,0,0,0|2,0,0]=3 377 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,1,0,0,0,0|2,0,0]=3 378 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100000181244_106832991635 [0,1,0,0,0,0|2,0,0]=3 379 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100102657272_100000181244 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100000181244_100102657272 [0,1,0,0,0,0|2,0,0]=3 381 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100102657272_100000181244 [0,1,0,0,0,0|2,0,0]=3 382 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_100000181244_100102657272 [0,1,0,0,0,0|2,0,0]=3 383 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_106832991638_100000181244 [0,1,0,0,0,0|2,0,0]=3 384 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100000195435_106832991635 [0,1,0,0,0,0|2,0,0]=3 385 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100102657272_100000195435 [0,1,0,0,0,0|2,0,0]=3 386 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100000195435_100102657272 [0,1,0,0,0,0|2,0,0]=3 387 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100102657272_100000195435 [0,1,0,0,0,0|2,0,0]=3 388 B13R1.11 CNC(=O)NC(C)c1cccnc1 512a_106832991638_100000195435 [0,1,0,0,0,0|2,0,0]=3 389 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100000181269_106832991635 [0,1,0,0,0,0|2,0,0]=3 390 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100102657272_100000181269 [0,1,0,0,0,0|2,0,0]=3 391 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100000181269_100102657272 [0,1,0,0,0,0|2,0,0]=3 392 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100102657272_100000181269 [0,1,0,0,0,0|2,0,0]=3 393 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_100000181269_100102657272 [0,1,0,0,0,0|2,0,0]=3 394 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_106832991638_100000181269 [0,1,0,0,0,0|2,0,0]=3 395 B13R1.11 CNC(=O)NC(C)c1ncccn1 2708a_100020641698_106832991635 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.11 CNC(=O)NC(C)c1ncccn1 2708a_100102657272_100020641698 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.11 CNC(=O)NC(C)c1ncccn1 273464a_100020641698_100102657272 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.11 CNC(=O)NC(C)c1ncccn1 273464a_100102657272_100020641698 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.11 CNC(=O)NC(C)c1ncccn1 512a_100020641698_100102657272 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.11 CNC(=O)NC(C)c1ncccn1 512a_106832991638_100020641698 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,0,0,0,0|1,0,0]=2 402 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,0,0,0,0|1,0,0]=2 403 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,0,0,0,0|1,0,0]=2 404 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,0,0,0,0|1,0,0]=2 405 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,0,0,0,0|1,0,0]=2 406 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,0,0,0,0|1,0,0]=2 407 B13R1.11 CNC(=O)N[C@H](C)c1cnccn1 2708a_100020589798_106832991635 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.11 CNC(=O)N[C@H](C)c1cnccn1 2708a_100102657272_100020589798 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.11 CNC(=O)N[C@H](C)c1cnccn1 273464a_100020589798_100102657272 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.11 CNC(=O)N[C@H](C)c1cnccn1 273464a_100102657272_100020589798 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.11 CNC(=O)N[C@H](C)c1cnccn1 512a_106832991638_100020589798 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,0,0,0,0|2,0,0]=3 414 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,0,0,0,0|2,0,0]=3 415 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,0,0,0,0|2,0,0]=3 416 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,1,0,0,0,0|0,1,2]=4 421 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,1,0,0,0,0|0,1,2]=4 422 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,0,0,0,0|1,0,0]=2 423 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,0,0,0,0|1,0,0]=2 424 B13R1.11 C[C@@H](NC(=O)CO)c1cnccn1 240690a_100020589798_100000210174 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.11 C[C@@H](NC(=O)CO)c1cnccn1 527a_100020589798_100000210174 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,1,0,0,0,0|2,0,0]=3 427 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,0|2,0,0]=3 429 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,0|2,0,0]=3 430 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000748629 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000748629 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 34a_100000219623_100000748629 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 2230a_100000219977_100000748629 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 269982a_100000219977_100000748629 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 34a_100000219977_100000748629 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748629 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000748629 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000748629 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 2230a_100000219829_100000748629 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 269982a_100000219829_100000748629 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 34a_100000219829_100000748629 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 2230a_100000743151_100000748629 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 269982a_100000743151_100000748629 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 34a_100000743151_100000748629 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000748629 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000748629 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,0,0|1,0,0]=2 455 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.132 CC(=O)CN(C)c1ccc(cn1)Cl 1458a_100020591386_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,0,0|2,0,0]=3 458 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,1,0,0,0,0|1,0,0]=2 459 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 11a_100000723930_100015343762 [0,1,0,0,0,0|2,0,0]=3 460 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 1626a_100000723930_100015343762 [0,1,0,0,0,0|2,0,0]=3 461 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 240690a_100000723930_100015343762 [0,1,0,0,0,0|2,0,0]=3 462 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 527a_100000723930_100103153847 [0,1,0,0,0,0|2,0,0]=3 463 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 11a_100011815741_100015343762 [0,1,0,0,0,0|2,0,0]=3 464 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 1626a_100011815741_100015343762 [0,1,0,0,0,0|2,0,0]=3 465 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 240690a_100011815741_100015343762 [0,1,0,0,0,0|2,0,0]=3 466 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 527a_100011815741_100103153847 [0,1,0,0,0,0|2,0,0]=3 467 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,1,0,0,0,0|1,0,0]=2 468 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,1,0,0,0,0|1,0,0]=2 469 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,1,0,0,0,0|1,0,0]=2 470 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,1,0,0,0,0|1,0,0]=2 471 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,1,0,0,0,0|1,0,0]=2 472 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,1,0,0,0,0|1,0,0]=2 473 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,1,0,0,0,0|1,0,0]=2 474 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,1,0,0,0,0|1,0,0]=2 475 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,1,0,0,0,0|1,0,0]=2 476 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 11a_100015387476_100015343762 [0,1,0,0,0,0|2,0,0]=3 477 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 1626a_100015387476_100015343762 [0,1,0,0,0,0|2,0,0]=3 478 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 240690a_100015387476_100015343762 [0,1,0,0,0,0|2,0,0]=3 479 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 527a_100015387476_100103153847 [0,1,0,0,0,0|2,0,0]=3 480 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,1,0,0,0,0|1,0,0]=2 481 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,1,0,0,0,0|1,0,0]=2 482 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,1,0,0,0,0|1,0,0]=2 483 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,1,0,0,0,0|1,0,0]=2 484 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,1,0,0,0,0|1,0,0]=2 485 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,1,0,0,0,0|1,0,0]=2 486 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,1,0,0,0,0|1,0,0]=2 487 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,1,0,0,0,0|1,0,0]=2 488 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,1,0,0,0,0|1,0,0]=2 489 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,1,0,0,0,0|1,0,0]=2 490 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,1,0,0,0,0|1,0,0]=2 491 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,1,0,0,0,0|1,0,0]=2 492 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [0,1,0,0,0,0|2,0,1]=4 495 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,1,0,0,0,0|2,0,1]=4 501 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,1,0,0,0,0|1,0,1]=3 505 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,1,0,0,0,0|1,0,1]=3 506 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,1,0,0,0,0|1,0,1]=3 507 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,1,0,0,0,0|1,0,1]=3 508 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,1,0,0,0,0|1,0,1]=3 509 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,1,0,0,0,0|1,0,1]=3 510 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,1,0,0,0,0|1,0,1]=3 511 B13R1.132 CC(C)OC(C)c1ccc(cn1)Br 34a_100012353650_100000210206 [0,1,0,0,0,0|2,0,1]=4 512 B13R1.132 CC(C)OC(C)c1ccc(cn1)Br 7a_100012353650_100000210206 [0,1,0,0,0,0|2,0,1]=4 513 B13R1.132 CC(C)OC(C)c1ccc(nc1)Br 34a_200010274204_100000210206 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.132 CC(C)OC(C)c1ccc(nc1)Br 7a_200010274204_100000210206 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.132 CC(C)OC(C)c1ccc(nc1)Cl 34a_200012017543_100000210206 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.132 CC(C)OC(C)c1ccc(nc1)Cl 7a_200012017543_100000210206 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,1,0,0,0,0|1,0,1]=3 518 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,1,0,0,0,0|1,0,1]=3 519 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000210206_100000755118 [0,1,0,0,0,0|1,1,1]=4 520 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000210206 [0,1,0,0,0,0|1,1,1]=4 521 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000210206_100000684792 [0,1,0,0,0,0|1,1,1]=4 522 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000210206 [0,1,0,0,0,0|1,1,1]=4 523 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000210206_100000743420 [0,1,0,0,0,0|1,1,1]=4 524 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000210206 [0,1,0,0,0,0|1,1,1]=4 525 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.132 CN(CC(=O)[13CH3])c1ccc(cn1)Cl 1458a_100020591386_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,0,0|1,0,0]=2 555 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,1,0,0,0,0|1,0,1]=3 558 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,1,0,0,0,0|1,1,1]=4 559 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,1,0,0,0,0|1,1,1]=4 560 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,1,0,0,0,0|1,0,1]=3 568 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,1,0,0,0,0|1,0,1]=3 569 B13R1.132 Cc1ccc(cn1)C(C)OC(C)C 34a_200011815720_100000210206 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.132 Cc1ccc(cn1)C(C)OC(C)C 7a_200011815720_100000210206 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 34a_217856618577_100000210206 [0,1,0,0,0,0|2,0,1]=4 576 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 7a_217856618577_100000210206 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 2230a_100000219648_100000748629 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 269982a_100000219648_100000748629 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 34a_100000219648_100000748629 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 2230a_100000219674_100000748629 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 269982a_100000219674_100000748629 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 34a_100000219674_100000748629 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000748629 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000748629 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 34a_100000220044_100000748629 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 2230a_100020633736_100000748629 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 269982a_100020633736_100000748629 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 34a_100020633736_100000748629 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 2230a_100000221217_100000748629 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 269982a_100000221217_100000748629 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 34a_100000221217_100000748629 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 34a_100000756613_100000748629 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,0,0,0,0|2,0,1]=4 597 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,0,0|2,0,0]=3 601 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 11a_100011933787_100015343762 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 1626a_100011933787_100015343762 [0,1,0,0,0,0|2,0,0]=3 603 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 240690a_100011933787_100015343762 [0,1,0,0,0,0|2,0,0]=3 604 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 527a_100011933787_100103153847 [0,1,0,0,0,0|2,0,0]=3 605 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100015343762 [0,1,0,0,0,0|1,0,0]=2 606 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100015343762 [0,1,0,0,0,0|1,0,0]=2 607 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100015343762 [0,1,0,0,0,0|1,0,0]=2 608 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100103153847 [0,1,0,0,0,0|1,0,0]=2 609 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100015343762 [0,1,0,0,0,0|1,0,0]=2 610 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100015343762 [0,1,0,0,0,0|1,0,0]=2 611 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100015343762 [0,1,0,0,0,0|1,0,0]=2 612 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100103153847 [0,1,0,0,0,0|1,0,0]=2 613 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [0,1,0,0,0,0|1,0,0]=2 614 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [0,1,0,0,0,0|1,0,0]=2 615 B13R1.147 CC(=O)NC(C)c1cccc(n1)Br 11a_200010173468_100015343762 [0,1,0,0,0,0|2,0,0]=3 616 B13R1.147 CC(=O)NC(C)c1cccc(n1)Br 1626a_200010173468_100015343762 [0,1,0,0,0,0|2,0,0]=3 617 B13R1.147 CC(=O)NC(C)c1cccc(n1)Br 240690a_200010173468_100015343762 [0,1,0,0,0,0|2,0,0]=3 618 B13R1.147 CC(=O)NC(C)c1cccc(n1)Br 527a_200010173468_100103153847 [0,1,0,0,0,0|2,0,0]=3 619 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 11a_100011877385_100015343762 [0,1,0,0,0,0|2,0,0]=3 620 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 1626a_100011877385_100015343762 [0,1,0,0,0,0|2,0,0]=3 621 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 240690a_100011877385_100015343762 [0,1,0,0,0,0|2,0,0]=3 622 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 527a_100011877385_100103153847 [0,1,0,0,0,0|2,0,0]=3 623 B13R1.147 CC(=O)N[C@@H](C)c1cccc(n1)F 11a_100025709760_100015343762 [0,1,0,0,0,0|2,0,0]=3 624 B13R1.147 CC(=O)N[C@@H](C)c1cccc(n1)F 1626a_100025709760_100015343762 [0,1,0,0,0,0|2,0,0]=3 625 B13R1.147 CC(=O)N[C@@H](C)c1cccc(n1)F 240690a_100025709760_100015343762 [0,1,0,0,0,0|2,0,0]=3 626 B13R1.147 CC(=O)N[C@@H](C)c1cccc(n1)F 527a_100025709760_100103153847 [0,1,0,0,0,0|2,0,0]=3 627 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [0,1,0,0,0,0|1,0,0]=2 628 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [0,1,0,0,0,0|1,0,0]=2 629 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [0,1,0,0,0,0|1,0,0]=2 630 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [0,1,0,0,0,0|1,0,0]=2 631 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100015343762 [0,1,0,0,0,0|1,0,0]=2 632 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100015343762 [0,1,0,0,0,0|1,0,0]=2 633 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100015343762 [0,1,0,0,0,0|1,0,0]=2 634 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100103153847 [0,1,0,0,0,0|1,0,0]=2 635 B13R1.147 CC(=O)N[C@H](C)c1cncc(c1)Br 11a_100012350620_100015343762 [0,1,0,0,0,0|2,0,0]=3 636 B13R1.147 CC(=O)N[C@H](C)c1cncc(c1)Br 240690a_100012350620_100015343762 [0,1,0,0,0,0|2,0,0]=3 637 B13R1.147 CC(=O)N[C@H](C)c1cncc(c1)Br 527a_100012350620_100103153847 [0,1,0,0,0,0|2,0,0]=3 638 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.147 CC(C)OC(C)c1cc(ccn1)Cl 7a_100000144657_100000210206 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,1,0,0,0,0|1,0,1]=3 646 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,1,0,0,0,0|1,0,1]=3 647 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,1,0,0,0,0|1,0,1]=3 648 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,1,0,0,0,0|1,0,1]=3 649 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,1,0,0,0,0|1,0,1]=3 650 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,1,0,0,0,0|1,0,1]=3 651 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,1,0,0,0,0|1,0,1]=3 652 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,1,0,0,0,0|1,0,1]=3 653 B13R1.147 CC(C)OC(C)c1cccc(n1)Br 7a_100009820884_100000210206 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.147 CC(C)OC(C)c1cncc(c1)Br 34a_100012351597_100000210206 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.147 CC(C)OC(C)c1cncc(c1)Br 7a_100012351597_100000210206 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,1,0,0,0,0|1,0,1]=3 657 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,1,0,0,0,0|1,0,1]=3 658 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 269982a_100000219648_100020667443 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 34a_100000219648_100020667443 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 269982a_100000220044_100020667443 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 34a_100000220044_100020667443 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 269982a_100020633736_100020667443 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 34a_100020633736_100020667443 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 269982a_100000221217_100020667443 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 34a_100000221217_100020667443 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 269982a_100000756613_100020667443 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 34a_100000756613_100020667443 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,1,0,0,0,0|1,0,1]=3 686 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,1,0,0,0,0|1,0,1]=3 687 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.147 Cc1cccc(n1)C(C)OC(C)C 34a_200011877368_100000210206 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.147 Cc1cccc(n1)C(C)OC(C)C 7a_200011877368_100000210206 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,0,0|2,0,0]=3 697 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,0,0,0,0|2,0,0]=3 700 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,0,0,0,0|2,0,0]=3 704 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,1,0,0,0,0|2,0,0]=3 708 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,1,0,0,0,0|1,0,0]=2 709 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,1,0,0,0,0|1,0,0]=2 710 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,1,0,0,0,0|1,0,0]=2 711 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,1,0,0,0,0|1,0,0]=2 712 B13R1.152 CC(=O)N(C)C(C)c1ccccn1 11a_100000231138_100015343762 [0,1,0,0,0,0|2,0,0]=3 713 B13R1.152 CC(=O)N(C)C(C)c1ccccn1 1626a_100000231138_100015343762 [0,1,0,0,0,0|2,0,0]=3 714 B13R1.152 CC(=O)N(C)C(C)c1ccccn1 240690a_100000231138_100015343762 [0,1,0,0,0,0|2,0,0]=3 715 B13R1.152 CC(=O)N(C)C(C)c1ccccn1 527a_100000231138_100103153847 [0,1,0,0,0,0|2,0,0]=3 716 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 11a_100000232774_100015343762 [0,1,0,0,0,0|2,0,0]=3 717 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 240690a_100000232774_100015343762 [0,1,0,0,0,0|2,0,0]=3 718 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 527a_100000232774_100103153847 [0,1,0,0,0,0|2,0,0]=3 719 B13R1.152 CC(=O)N(C)C(C)c1ccncc1 11a_100000231139_100015343762 [0,1,0,0,0,0|2,0,0]=3 720 B13R1.152 CC(=O)N(C)C(C)c1ccncc1 240690a_100000231139_100015343762 [0,1,0,0,0,0|2,0,0]=3 721 B13R1.152 CC(=O)N(C)C(C)c1ccncc1 527a_100000231139_100103153847 [0,1,0,0,0,0|2,0,0]=3 722 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,1,0,0,0,0|1,0,2]=4 728 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,1,0,0,0,0|1,0,2]=4 729 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,0,0,0,0|2,0,0]=3 739 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 742 B13R1.152 CN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210012_100020610796 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.201 C=C(C)CN(C)c1ccccc1Br 2230a_100020606079_100000748629 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.201 C=C(C)CN(C)c1ccccc1Br 269982a_100020606079_100000748629 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.201 C=C(C)CN(C)c1ccccc1Br 34a_100020606079_100000748629 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.201 C=C(C)CN(C)c1ccccc1C 2230a_100000219699_100000748629 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.201 C=C(C)CN(C)c1ccccc1C 269982a_100000219699_100000748629 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.201 C=C(C)CN(C)c1ccccc1C 34a_100000219699_100000748629 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.201 C=C(C)CN(C)c1ccccc1F 2230a_100000220357_100000748629 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.201 C=C(C)CN(C)c1ccccc1F 269982a_100000220357_100000748629 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.201 C=C(C)CN(C)c1ccccc1F 34a_100000220357_100000748629 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.201 C=C(C)CN(C)c1ccccc1F 38a_100000220357_100000748629 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.201 C=C(C)CN(C)c1ccccc1O 269982a_100000033821_100000748629 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,0,0,0,0|2,0,1]=4 767 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,1,0,0,0,0|1,0,0]=2 768 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,1,0,0,0,0|1,0,0]=2 769 B13R1.201 CC(=O)NC(C)c1ccccc1Br 11a_100000181357_100015343762 [0,1,0,0,0,0|1,0,0]=2 770 B13R1.201 CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100015343762 [0,1,0,0,0,0|1,0,0]=2 771 B13R1.201 CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100015343762 [0,1,0,0,0,0|1,0,0]=2 772 B13R1.201 CC(=O)NC(C)c1ccccc1Br 527a_100000181357_100103153847 [0,1,0,0,0,0|1,0,0]=2 773 B13R1.201 CC(=O)NC(C)c1ccccc1C 11a_100000181355_100015343762 [0,1,0,0,0,0|1,0,0]=2 774 B13R1.201 CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100015343762 [0,1,0,0,0,0|1,0,0]=2 775 B13R1.201 CC(=O)NC(C)c1ccccc1C 240690a_100000181355_100015343762 [0,1,0,0,0,0|1,0,0]=2 776 B13R1.201 CC(=O)NC(C)c1ccccc1C 527a_100000181355_100103153847 [0,1,0,0,0,0|1,0,0]=2 777 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [0,1,0,0,0,0|1,0,0]=2 778 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [0,1,0,0,0,0|1,0,0]=2 779 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [0,1,0,0,0,0|1,0,0]=2 780 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [0,1,0,0,0,0|1,0,0]=2 781 B13R1.201 CC(=O)NC(C)c1ccccc1F 11a_100000181408_100015343762 [0,1,0,0,0,0|1,0,0]=2 782 B13R1.201 CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100015343762 [0,1,0,0,0,0|1,0,0]=2 783 B13R1.201 CC(=O)NC(C)c1ccccc1F 240690a_100000181408_100015343762 [0,1,0,0,0,0|1,0,0]=2 784 B13R1.201 CC(=O)NC(C)c1ccccc1F 527a_100000181408_100103153847 [0,1,0,0,0,0|1,0,0]=2 785 B13R1.201 CC(=O)NC(C)c1cccnc1O 11a_100159269580_100015343762 [0,1,0,0,0,0|2,0,0]=3 786 B13R1.201 CC(=O)NC(C)c1cccnc1O 240690a_100159269580_100015343762 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.201 CC(=O)NC(C)c1cccnc1O 527a_100159269580_100103153847 [0,1,0,0,0,0|2,0,0]=3 788 B13R1.201 CC(=O)NC(C)c1ncccc1Br 11a_100159271932_100015343762 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.201 CC(=O)NC(C)c1ncccc1Br 1626a_100159271932_100015343762 [0,1,0,0,0,0|2,0,0]=3 790 B13R1.201 CC(=O)NC(C)c1ncccc1Br 240690a_100159271932_100015343762 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.201 CC(=O)NC(C)c1ncccc1Br 527a_100159271932_100103153847 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.201 CC(=O)NC(C)c1ncccc1C 11a_100011536111_100015343762 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.201 CC(=O)NC(C)c1ncccc1C 1626a_100011536111_100015343762 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.201 CC(=O)NC(C)c1ncccc1C 240690a_100011536111_100015343762 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.201 CC(=O)NC(C)c1ncccc1C 527a_100011536111_100103153847 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [0,1,0,0,0,0|1,0,0]=2 797 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [0,1,0,0,0,0|1,0,0]=2 798 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [0,1,0,0,0,0|2,0,1]=4 799 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,1,0,0,0,0|2,0,1]=4 800 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,1,0,0,0,0|2,0,1]=4 802 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [0,1,0,0,0,0|2,0,1]=4 803 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [0,1,0,0,0,0|2,0,1]=4 804 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,1,0,0,0,0|1,0,1]=3 808 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,1,0,0,0,0|1,0,1]=3 809 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,1,0,0,0,0|1,0,1]=3 810 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,1,0,0,0,0|1,0,1]=3 811 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,1,0,0,0,0|1,0,1]=3 812 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,1,0,0,0,0|1,0,1]=3 813 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,1,0,0,0,0|1,0,1]=3 814 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,1,0,0,0,0|1,0,1]=3 815 B13R1.201 CC(C)OC(C)c1cccnc1Cl 34a_100009865335_100000210206 [0,1,0,0,0,0|2,0,1]=4 816 B13R1.201 CC(C)OC(C)c1cccnc1Cl 7a_100009865335_100000210206 [0,1,0,0,0,0|2,0,1]=4 817 B13R1.201 CC(C)OC(C)c1ccncc1F 34a_100012180158_100000210206 [0,1,0,0,0,0|2,0,1]=4 818 B13R1.201 CC(C)O[C@@H](C)c1ncccc1Br 7a_100013325542_100000210206 [0,1,0,0,0,0|2,0,1]=4 819 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,1,0,0,0,0|1,1,1]=4 820 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,1,0,0,0,0|1,1,1]=4 821 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_100000210206_200000741388 [0,1,0,0,0,0|1,1,1]=4 822 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_200000741388_100000210206 [0,1,0,0,0,0|1,1,1]=4 823 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,1,0,0,0,0|1,0,0]=2 824 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,1,0,0,0,0|1,0,0]=2 825 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 269982a_100020606079_100020667443 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 34a_100020606079_100020667443 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 269982a_100000219374_100020667443 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 34a_100000219374_100020667443 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 269982a_100000220357_100020667443 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 34a_100000220357_100020667443 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 38a_100000220357_100020667443 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,1,0,0,0,0|2,0,1]=4 848 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,1,0,0,0,0|1,0,1]=3 849 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,1,0,0,0,0|1,0,1]=3 850 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000070787_100000240042 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200000210301 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.347 CC(=O)C[Si](C)(C)c1ccccc1 1458a_100000070787_100000038972 [0,1,0,0,0,0|1,1,0]=3 863 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100015343762 [0,1,0,0,0,0|1,0,0]=2 864 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100015343762 [0,1,0,0,0,0|1,0,0]=2 865 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100015343762 [0,1,0,0,0,0|1,0,0]=2 866 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100103153847 [0,1,0,0,0,0|1,0,0]=2 867 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 11a_100011999416_100015343762 [0,1,0,0,0,0|2,0,0]=3 868 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 1626a_100011999416_100015343762 [0,1,0,0,0,0|2,0,0]=3 869 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 240690a_100011999416_100015343762 [0,1,0,0,0,0|2,0,0]=3 870 B13R1.347 CC(=O)NC(C)(C)c1ccccn1 527a_100011999416_100103153847 [0,1,0,0,0,0|2,0,0]=3 871 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 11a_100011376175_100015343762 [0,1,0,0,0,0|2,0,0]=3 872 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 1626a_100011376175_100015343762 [0,1,0,0,0,0|2,0,0]=3 873 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 240690a_100011376175_100015343762 [0,1,0,0,0,0|2,0,0]=3 874 B13R1.347 CC(=O)NC(C)(C)c1cccnc1 527a_100011376175_100103153847 [0,1,0,0,0,0|2,0,0]=3 875 B13R1.347 CC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100015343762 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,1,0,0,0,0|1,0,0]=2 877 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000210206 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100138425928_100000034625 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,1,0,0,0,0|1,0,1]=3 880 B13R1.347 CC(C)OC(C)(C)c1ccccn1 7a_100000041474_100000210206 [0,1,0,0,0,0|2,0,1]=4 881 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000210206 [0,1,0,0,0,0|1,1,1]=4 882 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000210206_100000034625 [0,1,0,0,0,0|1,1,1]=4 883 B13R1.347 CN(C)CC(C)(C)c1ccccc1 269982a_100102631434_100000703224 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.347 [13CH3]C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200025704644 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.352 CC(NS(=O)(=O)C)c1ccccn1 40a_100000181244_100000738038 [0,1,0,0,0,0|3,0,0]=4 891 B13R1.352 CC(NS(=O)(=O)C)c1cccnc1 40a_100000195435_100000738038 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.352 CC(NS(=O)(=O)C)c1ccncc1 40a_100000181269_100000738038 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,1,0,0,0,0|1,0,1]=3 894 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,1,0,0,0,0|1,0,1]=3 895 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [0,1,0,0,0,0|1,1,1]=4 896 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [0,1,0,0,0,0|1,1,1]=4 897 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 40a_100000751104_100000738038 [0,1,0,0,0,0|2,0,0]=3 898 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,1,0,0,0,0|1,0,1]=3 899 B13R1.352 C[C@@H](OC(F)(F)F)c1ccccc1 34a_100000761318_200103152311 [0,1,0,0,0,0|2,0,1]=4 900 B13R1.352 C[C@@H](OC(F)(F)F)c1ccccc1 7a_100000761318_200000243211 [0,1,0,0,0,0|2,0,1]=4 901 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,1,0,0,0,0|1,0,2]=4 902 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,1,0,0,0,0|1,0,2]=4 903 B13R1.713 C=C(C)CN(CC)c1ccccc1 2230a_100000210013_100000748629 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.713 C=C(C)CN(CC)c1ccccc1 269982a_100000210013_100000748629 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.713 C=C(C)CN(CC)c1ccccc1 34a_100000210013_100000748629 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,1,0,0,0,0|1,0,2]=4 907 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,1,0,0,0,0|1,0,2]=4 908 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,1,0,0,0,0|1,0,1]=3 909 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,1,0,0,0,0|1,0,0]=2 910 B13R1.713 CC(=O)NC(C#N)c1ccccc1 1626a_100020627052_100015343762 [0,1,0,0,0,0|1,0,1]=3 911 B13R1.713 CC(=O)NC(C#N)c1ccccc1 240690a_100020627052_100015343762 [0,1,0,0,0,0|1,0,1]=3 912 B13R1.713 CC(=O)NC(CO)c1ccccn1 240690a_100015196888_100015343762 [0,1,0,0,0,0|2,0,0]=3 913 B13R1.713 CC(=O)NC(CO)c1ccccn1 527a_100015196888_100103153847 [0,1,0,0,0,0|2,0,0]=3 914 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,1,0,0,0,0|1,0,0]=2 915 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,1,0,0,0,0|1,0,0]=2 916 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100015343762 [0,1,0,0,0,0|2,0,0]=3 917 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100103153847 [0,1,0,0,0,0|2,0,0]=3 918 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,1,0,0,0,0|1,0,2]=4 922 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,1,0,0,0,0|1,0,1]=3 923 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,1,0,0,0,0|1,0,1]=3 924 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,1,0,0,0,0|1,0,1]=3 925 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,1,0,0,0,0|1,0,1]=3 926 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,1,0,0,0,0|1,0,0]=2 928 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,1,0,0,0,0|1,0,0]=2 929 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,1,0,0,0,0|1,0,0]=2 930 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,1,0,0,0,0|1,0,0]=2 931 B13R1.713 CCC(NC(=O)C)c1ccccn1 11a_100015186561_100015343762 [0,1,0,0,0,0|2,0,0]=3 932 B13R1.713 CCC(NC(=O)C)c1ccccn1 1626a_100015186561_100015343762 [0,1,0,0,0,0|2,0,0]=3 933 B13R1.713 CCC(NC(=O)C)c1ccccn1 240690a_100015186561_100015343762 [0,1,0,0,0,0|2,0,0]=3 934 B13R1.713 CCC(NC(=O)C)c1ccccn1 527a_100015186561_100103153847 [0,1,0,0,0,0|2,0,0]=3 935 B13R1.713 CCC(NC(=O)C)c1cccnc1 11a_100000246009_100015343762 [0,1,0,0,0,0|2,0,0]=3 936 B13R1.713 CCC(NC(=O)C)c1cccnc1 1626a_100000246009_100015343762 [0,1,0,0,0,0|2,0,0]=3 937 B13R1.713 CCC(NC(=O)C)c1cccnc1 240690a_100000246009_100015343762 [0,1,0,0,0,0|2,0,0]=3 938 B13R1.713 CCC(NC(=O)C)c1cccnc1 527a_100000246009_100103153847 [0,1,0,0,0,0|2,0,0]=3 939 B13R1.713 CCC(NC(=O)C)c1ccncc1 11a_100000246010_100015343762 [0,1,0,0,0,0|2,0,0]=3 940 B13R1.713 CCC(NC(=O)C)c1ccncc1 1626a_100000246010_100015343762 [0,1,0,0,0,0|2,0,0]=3 941 B13R1.713 CCC(NC(=O)C)c1ccncc1 240690a_100000246010_100015343762 [0,1,0,0,0,0|2,0,0]=3 942 B13R1.713 CCC(NC(=O)C)c1ccncc1 527a_100000246010_100103153847 [0,1,0,0,0,0|2,0,0]=3 943 B13R1.713 CCC(NC(=O)C)c1cnccn1 11a_200016994365_100015343762 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.713 CCC(NC(=O)C)c1cnccn1 1626a_200016994365_100015343762 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.713 CCC(NC(=O)C)c1cnccn1 240690a_200016994365_100015343762 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.713 CCC(NC(=O)C)c1cnccn1 527a_200016994365_100103153847 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,1,0,0,0,0|1,0,1]=3 949 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,1,0,0,0,0|1,0,1]=3 950 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [0,1,0,0,0,0|3,0,0]=4 955 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,1,0,0,0,0|3,0,0]=4 956 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 269982a_100000210013_100020667443 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 34a_100000210013_100020667443 [0,1,0,0,0,0|3,0,0]=4 958 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,1,0,0,0,0|2,0,1]=4 960 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,1,0,0,0,0|2,0,0]=3 961 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.713 NC(=O)CN(CF)c1ccccc1 269982a_100000212578_100015361967 [0,1,0,0,0,0|3,0,0]=4 963 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,1,0,0,0,0|3,0,0]=4 964 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,1,0,0,0,0|1,0,1]=3 965 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,1,0,0,0,0|1,0,0]=2 966 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,1,0,0,0,0|3,0,0]=4 967 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,1,0,0,0,0|2,0,0]=3 968 B11R0.68 C/C=C/CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100102629194 [0,0,1,0,0,0|1,0,2]=4 969 B11R0.68 C=CC=CC(=O)C(C)OC(=O)C 1458a_100016291481_100009818208 [0,0,1,0,0,0|1,0,0]=2 970 B11R0.68 C=CCCC(=O)C(C)OC(=O)C 1458a_100000749702_100009818208 [0,0,1,0,0,0|1,0,2]=4 971 B11R0.68 C=CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000754431 [0,0,1,0,0,0|1,0,2]=4 972 B11R0.68 C=CCNC(=O)[C@H](C)OC(=O)C 1626a_100020586998_100009816467 [0,0,1,0,0,0|2,0,1]=4 973 B11R0.68 C=CCNC(=O)[C@H](C)OC(=O)C 240690a_100020586998_100009816467 [0,0,1,0,0,0|2,0,1]=4 974 B11R0.68 C=CCNC(=O)[C@H](C)OC(=O)C 527a_100020586998_100009816467 [0,0,1,0,0,0|2,0,1]=4 975 B11R0.68 CC=CCC(=O)C(C)OC(=O)C 1458a_100121576822_100009818208 [0,0,1,0,0,0|1,0,2]=4 976 B11R0.68 CC=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000070051 [0,0,1,0,0,0|1,0,2]=4 977 B11R0.68 CCC=CC(=O)C(C)OC(=O)C 1458a_100000212282_100009818208 [0,0,1,0,0,0|1,0,2]=4 978 B11R0.68 COC=CC(=O)C(C)OC(=O)C 1458a_100016268678_100009818208 [0,0,1,0,0,0|2,0,1]=4 979 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 980 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 981 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,1,0,0|3,0,0]=4 982 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,0,0,1,0,0|1,0,2]=4 983 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,0,0,1,0,0|2,0,1]=4 984 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,0|1,0,1]=3 985 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,0,1,0,0|2,0,1]=4 986 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,0,1,0,0|2,0,1]=4 987 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,0,1,0,0|2,0,1]=4 988 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 989 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 990 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,1,0,0|3,0,0]=4 991 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,0,0,1,0,0|3,0,0]=4 992 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,0,0,1,0,0|3,0,0]=4 993 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,0,0,1,0,0|3,0,0]=4 994 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,0,0,1,0,0|3,0,0]=4 995 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,0,0,1,0,0|3,0,0]=4 996 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,0,0,1,0,0|3,0,0]=4 997 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,0|2,0,0]=3 998 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,0|1,0,0]=2 999 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,0|2,0,0]=3 1000 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,0|1,0,0]=2 1001 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,0,0,1,0,0|2,0,1]=4 1002 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,0,0,1,0,0|1,1,1]=4 1003 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,0,0,1,0,0|1,0,1]=3 1004 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,0,0,1,0,0|1,1,1]=4 1005 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,0,0,1,0,0|1,1,1]=4 1006 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,1,0|0,0,2]=3 1007 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,1,0|0,0,2]=3 1008 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,0,0,1,0|1,0,1]=3 1009 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,0,0,0,1,0|2,0,1]=4 1010 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,0,0,0,1,0|2,0,1]=4 1011 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,0,0,0,1,0|2,0,1]=4 1012 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,1,0|0,0,0]=1 1013 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,0,0,1,0|1,0,0]=2 1014 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,0,0,0,1,0|2,0,0]=3 1015 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,1,0|1,0,0]=2 1016 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,1,0|1,0,0]=2 1017 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,1,0|1,0,0]=2 1018 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,1,0|1,0,0]=2 1019 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,1,0|0,0,0]=1 1020 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,1,0|1,0,0]=2 1021 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,0,0,1,0|1,0,0]=2 1022 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,0,0,0,1,0|2,0,1]=4 1023 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,0,0,0,1,0|2,0,1]=4 1024 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,0,0,0,1,0|2,0,1]=4 1025 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,0,0,0,1,0|2,0,1]=4 1026 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,0,0,0,1,0|2,0,1]=4 1027 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,0,0,0,1,0|2,0,1]=4 1028 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,0,0,0,1,0|2,0,1]=4 1029 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,0,0,0,1,0|2,0,1]=4 1030 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,0,0,0,1,0|2,0,1]=4 1031 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,0,0,0,1,0|2,0,1]=4 1032 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,0,0,0,1,0|2,0,1]=4 1033 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,0,0,0,1,0|2,0,0]=3 1034 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,0,0,0,1,0|2,0,0]=3 1035 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,0,0,0,1,0|2,0,0]=3 1036 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,0,0,0,1,0|2,0,0]=3 1037 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,0,0,0,1,0|2,0,0]=3 1038 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,0,0,0,1,0|2,0,0]=3 1039 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,0,0,0,1,0|3,0,0]=4 1040 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,0,0,0,1,0|3,0,0]=4 1041 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,0,0,0,1,0|3,0,0]=4 1042 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,0,0,0,1,0|3,0,0]=4 1043 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,0,0,0,1,0|3,0,0]=4 1044 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,0,0,0,1,0|3,0,0]=4 1045 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,0,0,0,1,0|3,0,0]=4 1046 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,0,0,0,1,0|3,0,0]=4 1047 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [0,0,0,0,1,0|3,0,0]=4 1048 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [0,0,0,0,1,0|3,0,0]=4 1049 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [0,0,0,0,1,0|3,0,0]=4 1050 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [0,0,0,0,1,0|3,0,0]=4 1051 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,1,0|0,0,0]=1 1052 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,1,0|1,0,0]=2 1053 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,1,0|1,0,0]=2 1054 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,0,0,0,1,0|3,0,0]=4 1055 B11R1.77 CC(=O)CC(C)n1ccnc1 1458a_100000707578_200000210301 [0,0,0,0,1,0|3,0,0]=4 1056 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,0,0,0,1,0|2,0,0]=3 1057 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,0,0,0,1,0|2,0,0]=3 1058 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,0,0,0,1,0|2,0,0]=3 1059 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,0,0,0,1,0|2,0,0]=3 1060 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [0,0,0,0,1,0|2,0,0]=3 1061 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [0,0,0,0,1,0|2,0,0]=3 1062 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [0,0,0,0,1,0|2,0,0]=3 1063 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [0,0,0,0,1,0|2,0,0]=3 1064 B11R1.77 CC(=O)NC(C)c1ccsc1 11a_100000748604_100015343762 [0,0,0,0,1,0|2,0,0]=3 1065 B11R1.77 CC(=O)NC(C)c1ccsc1 1626a_100000748604_100015343762 [0,0,0,0,1,0|2,0,0]=3 1066 B11R1.77 CC(=O)NC(C)c1ccsc1 240690a_100000748604_100015343762 [0,0,0,0,1,0|2,0,0]=3 1067 B11R1.77 CC(=O)NC(C)c1ccsc1 527a_100000748604_100103153847 [0,0,0,0,1,0|2,0,0]=3 1068 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,0,0,0,1,0|3,0,0]=4 1069 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,0,0,0,1,0|3,0,0]=4 1070 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,0,0,0,1,0|3,0,0]=4 1071 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,0,0,0,1,0|3,0,0]=4 1072 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,0,0,0,1,0|2,0,0]=3 1073 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,0,0,0,1,0|2,0,0]=3 1074 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,0,0,0,1,0|2,0,0]=3 1075 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,0,0,0,1,0|2,0,0]=3 1076 B11R1.77 CC(=O)OC(C)N1CC=CC1 269982a_100015195280_100009818208 [0,0,0,0,1,0|1,0,2]=4 1077 B11R1.77 CC(C)OC(C)c1ccsc1 34a_100011350980_100000210206 [0,0,0,0,1,0|2,0,1]=4 1078 B11R1.77 CC(C)OC(C)c1ccsc1 7a_100011350980_100000210206 [0,0,0,0,1,0|2,0,1]=4 1079 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,0,0,0,1,0|2,0,1]=4 1080 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,0,0,0,1,0|2,0,1]=4 1081 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,0,0,0,1,0|2,0,1]=4 1082 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,0,0,0,1,0|3,0,0]=4 1083 B11R1.77 CC(CC(=O)[13CH3])n1ccnc1 1458a_100000707578_200025704644 [0,0,0,0,1,0|3,0,0]=4 1084 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,0,0,0,0,1|3,0,0]=4 1085 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,0,0,0,0,1|3,0,0]=4 1086 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,0,0,0,0,1|3,0,0]=4 1087 B13R1.45 C=C(C)CNC(C)c1ccccn1 2230a_100000181244_100000748629 [0,0,0,0,0,1|3,0,0]=4 1088 B13R1.45 C=C(C)CNC(C)c1cccnc1 2230a_100000195435_100000748629 [0,0,0,0,0,1|3,0,0]=4 1089 B13R1.45 C=C(C)CNC(C)c1ccncc1 2230a_100000181269_100000748629 [0,0,0,0,0,1|3,0,0]=4 1090 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,0,0,0,0,1|2,0,0]=3 1091 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,0,0,0,0,1|1,0,0]=2 1092 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,0,0,0,0,1|1,0,0]=2 1093 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,0,0,0,0,1|1,0,0]=2 1094 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,0,0,0,0,1|1,1,0]=3 1095 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,0,0,0,0,1|1,1,0]=3 1096 B13R1.45 C=C(F)CN[C@H](C)c1ccccc1 2230a_100000751104_100009893438 [0,0,0,0,0,1|2,0,1]=4 1097 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [0,0,0,0,0,1|1,0,1]=3 1098 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [0,0,0,0,0,1|1,0,1]=3 1099 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [0,0,0,0,0,1|1,0,1]=3 1100 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000042424_100000230085 [0,0,0,0,0,1|1,1,1]=4 1101 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000230085_100000042424 [0,0,0,0,0,1|1,1,1]=4 1102 B13R1.45 CC(=CCN(C)c1ccccc1)C 2230a_100000210012_100000761012 [0,0,0,0,0,1|3,0,0]=4 1103 B13R1.45 CC(=CCN(C)c1ccccc1)C 269982a_100000210012_100000761012 [0,0,0,0,0,1|3,0,0]=4 1104 B13R1.45 CC(=CCN(C)c1ccccc1)C 34a_100000210012_100000761012 [0,0,0,0,0,1|3,0,0]=4 1105 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,0,1|2,0,1]=4 1106 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,0,0,0,0,1|2,0,0]=3 1107 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,0,0,0,0,1|2,0,0]=3 1108 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,0,1|2,0,1]=4 1109 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,0,1|1,0,1]=3 1110 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,0,0,0,0,1|0,0,0]=1 1111 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,0,0,0,0,1|1,1,1]=4 1112 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,0,0,0,0,1|1,0,0]=2 1113 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,0,0,0,0,1|1,0,0]=2 1114 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,0,0,0,0,1|1,0,0]=2 1115 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,0,0,0,0,1|1,0,0]=2 1116 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,0,0,0,0,1|2,0,0]=3 1117 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,0,0,0,0,1|2,0,0]=3 1118 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,0,0,0,0,1|3,0,0]=4 1120 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,0,0,0,0,1|3,0,0]=4 1121 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,0,0,0,0,1|3,0,0]=4 1122 B13R1.45 CC(=O)NN=C(C)c1ccccc1 4a_100000189765_100000185851 [0,0,0,0,0,1|1,0,1]=3 1123 B13R1.45 CC(=O)NN=C(C)c1ccccn1 4a_100000189765_100000210467 [0,0,0,0,0,1|2,0,1]=4 1124 B13R1.45 CC(=O)NN=C(C)c1cccnc1 4a_100000189765_100000210468 [0,0,0,0,0,1|2,0,1]=4 1125 B13R1.45 CC(=O)NN=C(C)c1ccncc1 4a_100000189765_100000185792 [0,0,0,0,0,1|2,0,1]=4 1126 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,0,0,0,1|2,0,1]=4 1127 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,0,0,0,1|2,0,1]=4 1128 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,0,0,0,0,1|1,0,0]=2 1129 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,0,0,0,0,1|1,0,0]=2 1130 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,0,0,0,0,1|1,0,1]=3 1131 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,0,0,0,0,1|2,0,1]=4 1132 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,0,0,0,0,1|2,0,1]=4 1133 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,0,0,0,0,1|2,0,1]=4 1134 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,0,0,0,0,1|2,0,1]=4 1135 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,0,0,0,0,1|2,0,1]=4 1136 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,0,0,0,0,1|1,0,1]=3 1137 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,0,0,0,0,1|1,0,1]=3 1138 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,0,0,0,0,1|1,0,1]=3 1139 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,0,0,0,0,1|1,1,1]=4 1140 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,0,0,0,0,1|1,1,1]=4 1141 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,0,0,0,0,1|2,0,1]=4 1142 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,0,0,0,0,1|2,0,1]=4 1143 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,0,0,0,0,1|2,0,1]=4 1144 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,0,0,0,0,1|2,0,1]=4 1145 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,0,0,0,0,1|1,0,1]=3 1146 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,0,0,0,0,1|1,0,1]=3 1147 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,0,0,0,0,1|1,0,1]=3 1148 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,0,0,0,0,1|2,0,1]=4 1149 B13R1.45 CC(C)OCN(C)c1ccccc1 2230a_100000210012_100000709892 [0,0,0,0,0,1|2,0,1]=4 1150 B13R1.45 CC(C)OCN(C)c1ccccc1 269982a_100000210012_100000709892 [0,0,0,0,0,1|2,0,1]=4 1151 B13R1.45 CC(C)OCN(C)c1ccccc1 34a_100000210012_100000709892 [0,0,0,0,0,1|2,0,1]=4 1152 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,0,1|2,0,1]=4 1153 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,0,0,0,0,1|2,0,1]=4 1154 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,0,0,0,0,1|1,1,1]=4 1155 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,0,0,0,0,1|1,1,1]=4 1156 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,0,0,0,0,1|3,0,0]=4 1157 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,0,0,0,0,1|1,0,1]=3 1158 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,0,0,0,0,1|2,0,0]=3 1159 B13R1.45 CC(NCC(=O)N)c1ccccn1 2230a_100000181244_100000747473 [0,0,0,0,0,1|3,0,0]=4 1160 B13R1.45 CC(NCC(=O)N)c1cccnc1 2230a_100000195435_100000747473 [0,0,0,0,0,1|3,0,0]=4 1161 B13R1.45 CC(NCC(=O)N)c1ccncc1 2230a_100000181269_100000747473 [0,0,0,0,0,1|3,0,0]=4 1162 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,0,0,0,1|2,0,0]=3 1163 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,0,0,0,0,1|1,0,2]=4 1164 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,0,0,0,0,1|1,0,2]=4 1165 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,0,0,0,0,1|1,0,2]=4 1166 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,0,0,0,0,1|1,0,2]=4 1167 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,0,0,0,0,1|0,0,2]=3 1168 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,0,0,0,0,1|0,0,2]=3 1169 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,0,0,0,0,1|0,1,2]=4 1170 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,0,0,0,0,1|0,1,2]=4 1171 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,0,0,0,0,1|2,0,1]=4 1172 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,0,0,0,0,1|1,0,1]=3 1173 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,0,0,0,0,1|1,0,1]=3 1174 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,0,0,0,0,1|1,1,0]=3 1175 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,0,0,0,0,1|1,1,0]=3 1176 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,0,0,0,0,1|1,1,0]=3 1177 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,0,0,0,0,1|1,1,0]=3 1178 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,0,0,0,0,1|0,1,2]=4 1179 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,0,0,0,0,1|0,1,2]=4 1180 B13R1.45 CC(SC[N+](=O)[O-])c1ccccc1 62a_100000230085_100000761209 [0,0,0,0,0,1|2,1,0]=4 1181 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,0,0,0,0,1|3,0,0]=4 1182 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,0,0,0,0,1|3,0,0]=4 1183 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,0,0,0,0,1|3,0,0]=4 1184 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,0,0,0,0,1|2,0,0]=3 1185 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,0,0,0,0,1|1,0,2]=4 1186 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,0,0,0,0,1|0,0,2]=3 1187 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,0,0,0,0,1|0,0,2]=3 1188 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,0,0,0,0,1|1,0,0]=2 1189 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,0,0,0,0,1|1,0,0]=2 1190 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,0,0,0,0,1|1,0,0]=2 1191 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,0,0,0,0,1|2,0,1]=4 1192 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,0,0,0,0,1|2,0,1]=4 1193 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [0,0,0,0,0,1|2,0,0]=3 1194 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,0,1|2,0,1]=4 1195 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,0,0,0,0,1|1,1,1]=4 1196 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,0,0,0,0,1|3,0,0]=4 1197 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,0,0,0,0,1|3,0,0]=4 1198 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,0,0,0,0,1|3,0,0]=4 1199 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,0,0,0,0,1|3,0,0]=4 1200 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,0,0,0,0,1|3,0,0]=4 1201 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,0,0,0,0,1|3,0,0]=4 1202 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,0,0,0,0,1|3,0,0]=4 1203 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,0,0,0,0,1|3,0,0]=4 1204 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,0,0,0,0,1|3,0,0]=4 1205 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,0,1|2,0,1]=4 1206 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,0,0,0,1|2,0,1]=4 1207 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,0,0,0,1|2,0,1]=4 1208 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,0,0,0,0,1|2,0,0]=3 1209 B13R1.348 CC(=O)CN(C)Cc1ccccn1 1458a_100015184508_200000210301 [0,0,0,0,0,1|3,0,0]=4 1210 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,0,0,0,0,1|2,0,0]=3 1211 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,0,0,0,0,1|2,0,0]=3 1212 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,0,0,0,0,1|2,0,0]=3 1213 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,0,0,0,0,1|2,0,0]=3 1214 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,0,0,0,0,1|2,0,0]=3 1215 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,0,0,0,0,1|2,0,0]=3 1216 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,0,0,0,0,1|2,0,0]=3 1217 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,0,0,0,0,1|2,0,0]=3 1218 B13R1.348 CC(=O)NC(C)Cc1cnccn1 11a_100011277835_100015343762 [0,0,0,0,0,1|3,0,0]=4 1219 B13R1.348 CC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100015343762 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.348 CC(=O)NC(C)Cc1cnccn1 240690a_100011277835_100015343762 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.348 CC(=O)NC(C)Cc1cnccn1 527a_100011277835_100103153847 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,0,0,0,0,1|0,0,0]=1 1223 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,0,0,0,0,1|0,0,0]=1 1224 B13R1.348 CC(=O)OC(C)Sc1ccccn1 62a_100009818208_100011216584 [0,0,0,0,0,1|1,0,0]=2 1225 B13R1.348 CC(=O)OC(C)Sc1ccccn1 62a_100011216584_100009818208 [0,0,0,0,0,1|1,0,0]=2 1226 B13R1.348 CC(=O)OC(C)Sc1cccnc1 62a_100000210063_100009818208 [0,0,0,0,0,1|1,0,0]=2 1227 B13R1.348 CC(=O)OC(C)Sc1cccnc1 62a_100009818208_100000210063 [0,0,0,0,0,1|1,0,0]=2 1228 B13R1.348 CC(=O)OC(C)Sc1cccnn1 62a_100009818208_100016991348 [0,0,0,0,0,1|2,0,0]=3 1229 B13R1.348 CC(=O)OC(C)Sc1cccnn1 62a_100016991348_100009818208 [0,0,0,0,0,1|2,0,0]=3 1230 B13R1.348 CC(=O)OC(C)Sc1ccncc1 62a_100000728582_100009818208 [0,0,0,0,0,1|1,0,0]=2 1231 B13R1.348 CC(=O)OC(C)Sc1ccncc1 62a_100009818208_100000728582 [0,0,0,0,0,1|1,0,0]=2 1232 B13R1.348 CC(=O)OC(C)Sc1ccncn1 62a_100000703185_100009818208 [0,0,0,0,0,1|2,0,0]=3 1233 B13R1.348 CC(=O)OC(C)Sc1ccncn1 62a_100009818208_100000703185 [0,0,0,0,0,1|2,0,0]=3 1234 B13R1.348 CC(=O)OC(C)Sc1ccnnc1 62a_100000732662_100009818208 [0,0,0,0,0,1|2,0,0]=3 1235 B13R1.348 CC(=O)OC(C)Sc1ccnnc1 62a_100009818208_100000732662 [0,0,0,0,0,1|2,0,0]=3 1236 B13R1.348 CC(=O)OC(C)Sc1cnccn1 62a_100000211759_100009818208 [0,0,0,0,0,1|2,0,0]=3 1237 B13R1.348 CC(=O)OC(C)Sc1cnccn1 62a_100009818208_100000211759 [0,0,0,0,0,1|2,0,0]=3 1238 B13R1.348 CC(=O)OC(C)Sc1cncnc1 62a_100009818208_100011206942 [0,0,0,0,0,1|2,0,0]=3 1239 B13R1.348 CC(=O)OC(C)Sc1cncnc1 62a_100011206942_100009818208 [0,0,0,0,0,1|2,0,0]=3 1240 B13R1.348 CC(=O)OC(C)Sc1cnnnc1 62a_100009818208_100009846058 [0,0,0,0,0,1|3,0,0]=4 1241 B13R1.348 CC(=O)OC(C)Sc1cnnnc1 62a_100009846058_100009818208 [0,0,0,0,0,1|3,0,0]=4 1242 B13R1.348 CC(=O)OC(C)Sc1ncccn1 62a_100000211032_100009818208 [0,0,0,0,0,1|2,0,0]=3 1243 B13R1.348 CC(=O)OC(C)Sc1ncccn1 62a_100009818208_100000211032 [0,0,0,0,0,1|2,0,0]=3 1244 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,0,0,0,0,1|2,0,1]=4 1245 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,0,0,0,0,1|2,0,1]=4 1246 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,0,0,0,0,1|2,0,1]=4 1247 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,0,0,0,0,1|2,0,1]=4 1248 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,0,0,0,0,1|2,0,1]=4 1249 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,0,0,0,0,1|2,0,1]=4 1250 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,0,0,0,0,1|1,0,1]=3 1251 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,0,0,0,0,1|1,0,1]=3 1252 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,0,0,0,0,1|1,0,1]=3 1253 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,0,0,0,0,1|1,1,1]=4 1254 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,0,0,0,0,1|1,1,1]=4 1255 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100000719477_100020606517 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100020606517_100000041952 [0,0,0,0,0,1|3,0,0]=4 1257 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,0,0,0,0,1|3,0,0]=4 1258 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,0,0,0,0,1|3,0,0]=4 1259 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,0,0,0,0,1|3,0,0]=4 1260 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,0,0,0,0,1|3,0,0]=4 1261 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,0,1|3,0,0]=4 1262 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,0,1|3,0,0]=4 1263 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,0,0,0,0,1|2,0,0]=3 1264 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccn1 1458a_100015184508_200025704644 [0,0,0,0,0,1|3,0,0]=4 1265 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,0,0,0,0,1|3,0,0]=4 1266 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,0,1|3,0,0]=4 1267 B10R0.32 C=CCC(=O)C(C)OC(=O)C 1458a_100000210193_100009818208 [1,0,1,0,0,0|1,0,1]=4 1268 B10R0.32 C=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210623 [1,0,1,0,0,0|1,0,1]=4 1269 B10R0.32 CC(=O)OC(C)C(=O)C=CBr 1458a_100016273825_100009818208 [1,0,1,0,0,0|2,0,0]=4 1270 B10R0.32 CC(=O)OC(C)C(=O)C=CCl 1458a_200016279998_100009818208 [1,0,1,0,0,0|2,0,0]=4 1271 B10R0.32 CC(=O)OC(C)C(=O)C=CI 1458a_100016256311_100009818208 [1,0,1,0,0,0|2,0,0]=4 1272 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [1,0,1,0,0,0|1,0,1]=4 1273 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [2,0,0,0,0,0|2,0,0]=4 1274 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1275 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [2,0,0,0,0,0|2,0,0]=4 1276 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|0,1,0]=3 1277 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|0,1,0]=3 1278 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|1,0,1]=4 1279 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 1280 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|1,0,1]=4 1281 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 1282 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|1,0,1]=4 1283 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|1,0,1]=4 1284 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 1285 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 1286 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|1,0,1]=4 1287 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1288 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|1,0,0]=3 1289 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|1,0,0]=3 1290 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1291 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [2,0,0,0,0,0|2,0,0]=4 1292 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [2,0,0,0,0,0|2,0,0]=4 1293 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1294 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [2,0,0,0,0,0|2,0,0]=4 1295 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [2,0,0,0,0,0|2,0,0]=4 1296 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [2,0,0,0,0,0|2,0,0]=4 1297 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|1,0,0]=3 1298 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|0,0,0]=2 1299 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|0,0,0]=2 1300 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|0,0,0]=2 1301 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|0,1,0]=3 1302 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|0,1,0]=3 1303 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|1,0,0]=3 1304 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|0,0,0]=2 1305 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|0,0,0]=2 1306 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [2,0,0,0,0,0|2,0,0]=4 1307 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,1]=4 1308 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 1309 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1310 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,1]=4 1311 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,1]=4 1312 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1313 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|0,0,1]=3 1314 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|0,0,1]=3 1315 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|0,0,1]=3 1316 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [2,0,0,0,0,0|1,0,1]=4 1317 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [2,0,0,0,0,0|1,0,1]=4 1318 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|0,1,1]=4 1319 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|0,1,1]=4 1320 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 1321 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 1322 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 1323 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|2,0,0]=4 1324 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 1325 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 1326 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|2,0,0]=4 1327 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 1328 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|2,0,0]=4 1329 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|2,0,0]=4 1330 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 1331 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 1332 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|2,0,0]=4 1333 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|2,0,0]=4 1334 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|2,0,0]=4 1335 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|2,0,0]=4 1336 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|2,0,0]=4 1337 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 1338 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 1339 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 1340 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 1341 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|2,0,0]=4 1342 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|2,0,0]=4 1343 B12R0.141 C/C=C/C=CC(=O)C(C)OC(=O)C 1458a_100000185730_100009818208 [0,1,1,0,0,0|0,0,1]=3 1344 B12R0.159 C=CCN(CC=C)C(C)OC(=O)C 269982a_100000210471_100009818208 [0,1,1,0,0,0|1,0,1]=4 1345 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [1,1,0,0,0,0|0,0,2]=4 1346 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [1,1,0,0,0,0|0,0,2]=4 1347 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [1,1,0,0,0,0|0,0,2]=4 1348 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [1,1,0,0,0,0|0,0,2]=4 1349 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1350 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 1351 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1352 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 1353 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,1,0,0,0,0|2,0,0]=4 1354 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1357 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1359 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1360 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|1,0,1]=4 1361 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|1,0,1]=4 1362 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|1,0,1]=4 1363 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|1,0,1]=4 1364 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|1,0,1]=4 1365 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|1,0,1]=4 1366 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|1,0,1]=4 1367 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|1,0,1]=4 1368 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|1,0,1]=4 1369 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [1,1,0,0,0,0|2,0,0]=4 1371 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [1,1,0,0,0,0|2,0,0]=4 1372 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [1,1,0,0,0,0|1,0,1]=4 1373 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [1,1,0,0,0,0|1,0,1]=4 1374 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1375 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1376 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [1,1,0,0,0,0|0,0,2]=4 1377 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [1,1,0,0,0,0|0,0,1]=3 1378 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,1,0,0,0,0|0,0,1]=3 1379 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,1,0,0,0,0|0,0,1]=3 1380 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,1,0,0,0,0|0,0,1]=3 1381 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [1,1,0,0,0,0|0,0,1]=3 1382 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [1,1,0,0,0,0|0,0,1]=3 1383 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,1,0,0,0,0|2,0,0]=4 1384 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 1386 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [1,1,0,0,0,0|1,0,1]=4 1393 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [1,1,0,0,0,0|1,0,1]=4 1394 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [1,1,0,0,0,0|1,0,1]=4 1395 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [1,1,0,0,0,0|1,0,1]=4 1396 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [1,1,0,0,0,0|1,0,1]=4 1398 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [1,1,0,0,0,0|1,0,1]=4 1399 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [1,1,0,0,0,0|1,0,1]=4 1400 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [1,1,0,0,0,0|1,0,1]=4 1401 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [1,1,0,0,0,0|1,0,1]=4 1402 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [1,1,0,0,0,0|1,0,1]=4 1403 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [1,1,0,0,0,0|1,0,1]=4 1404 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [1,1,0,0,0,0|1,0,1]=4 1405 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [1,1,0,0,0,0|1,0,1]=4 1406 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [1,1,0,0,0,0|1,0,1]=4 1407 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [1,1,0,0,0,0|1,0,1]=4 1408 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [1,1,0,0,0,0|1,0,1]=4 1409 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [1,1,0,0,0,0|1,0,1]=4 1410 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [1,1,0,0,0,0|1,0,1]=4 1411 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [1,1,0,0,0,0|1,0,1]=4 1412 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [1,1,0,0,0,0|1,0,1]=4 1413 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [1,1,0,0,0,0|1,0,1]=4 1414 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [1,1,0,0,0,0|1,0,1]=4 1415 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [1,1,0,0,0,0|1,0,1]=4 1416 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [1,1,0,0,0,0|1,0,1]=4 1417 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [1,1,0,0,0,0|1,0,1]=4 1418 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [1,1,0,0,0,0|1,0,1]=4 1419 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [1,1,0,0,0,0|1,0,1]=4 1420 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [1,1,0,0,0,0|0,0,1]=3 1421 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [1,1,0,0,0,0|0,0,1]=3 1422 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [1,1,0,0,0,0|0,0,1]=3 1423 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [1,1,0,0,0,0|0,0,1]=3 1424 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [1,1,0,0,0,0|0,0,1]=3 1425 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [1,1,0,0,0,0|0,0,1]=3 1426 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [1,1,0,0,0,0|0,0,1]=3 1427 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [1,1,0,0,0,0|0,0,1]=3 1428 B12R1.16 CCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210202 [1,1,0,0,0,0|1,0,1]=4 1429 B12R1.16 CCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210202 [1,1,0,0,0,0|1,0,1]=4 1430 B12R1.16 CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210202 [1,1,0,0,0,0|1,0,1]=4 1431 B12R1.16 CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210202 [1,1,0,0,0,0|1,0,1]=4 1432 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1433 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1434 B12R1.16 CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1435 B12R1.16 CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210202 [1,1,0,0,0,0|1,0,1]=4 1436 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [1,1,0,0,0,0|0,0,1]=3 1437 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [1,1,0,0,0,0|0,0,1]=3 1438 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [1,1,0,0,0,0|0,0,1]=3 1439 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [1,1,0,0,0,0|0,0,1]=3 1440 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [1,1,0,0,0,0|0,1,1]=4 1441 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [1,1,0,0,0,0|0,1,1]=4 1442 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [1,1,0,0,0,0|0,1,1]=4 1443 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [1,1,0,0,0,0|0,1,1]=4 1444 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [1,1,0,0,0,0|0,1,1]=4 1445 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [1,1,0,0,0,0|0,1,1]=4 1446 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [1,1,0,0,0,0|0,1,1]=4 1447 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [1,1,0,0,0,0|0,1,1]=4 1448 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [1,1,0,0,0,0|2,0,0]=4 1450 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [1,1,0,0,0,0|2,0,0]=4 1451 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [1,1,0,0,0,0|2,0,0]=4 1452 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [1,1,0,0,0,0|2,0,0]=4 1453 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [1,1,0,0,0,0|2,0,0]=4 1454 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [1,1,0,0,0,0|2,0,0]=4 1455 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [1,1,0,0,0,0|2,0,0]=4 1456 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [1,1,0,0,0,0|2,0,0]=4 1457 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [1,1,0,0,0,0|2,0,0]=4 1458 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [1,1,0,0,0,0|2,0,0]=4 1459 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [1,1,0,0,0,0|2,0,0]=4 1460 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [1,1,0,0,0,0|2,0,0]=4 1461 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [1,1,0,0,0,0|2,0,0]=4 1462 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [1,1,0,0,0,0|1,0,1]=4 1464 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [1,1,0,0,0,0|1,0,1]=4 1465 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [1,1,0,0,0,0|2,0,0]=4 1466 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [1,1,0,0,0,0|2,0,0]=4 1467 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [1,1,0,0,0,0|2,0,0]=4 1468 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [1,1,0,0,0,0|1,0,1]=4 1469 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [1,1,0,0,0,0|1,0,1]=4 1470 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1471 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [1,1,0,0,0,0|1,0,1]=4 1472 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [1,1,0,0,0,0|1,0,1]=4 1473 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [1,1,0,0,0,0|1,0,1]=4 1474 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [1,1,0,0,0,0|1,0,1]=4 1475 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [1,1,0,0,0,0|1,0,1]=4 1476 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [1,1,0,0,0,0|1,0,1]=4 1477 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [1,1,0,0,0,0|1,0,1]=4 1478 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [1,1,0,0,0,0|1,0,1]=4 1479 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [1,1,0,0,0,0|1,0,1]=4 1480 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [1,1,0,0,0,0|1,0,1]=4 1481 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [1,1,0,0,0,0|1,0,1]=4 1482 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [1,1,0,0,0,0|1,0,1]=4 1483 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [1,1,0,0,0,0|1,0,1]=4 1484 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [1,1,0,0,0,0|1,0,1]=4 1485 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [1,1,0,0,0,0|1,0,1]=4 1486 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [1,1,0,0,0,0|1,0,1]=4 1487 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [1,1,0,0,0,0|1,0,1]=4 1488 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [1,1,0,0,0,0|1,0,1]=4 1489 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [1,1,0,0,0,0|1,0,1]=4 1490 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [1,1,0,0,0,0|1,0,1]=4 1491 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [1,1,0,0,0,0|1,0,1]=4 1492 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [1,1,0,0,0,0|1,0,1]=4 1493 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [1,1,0,0,0,0|1,0,1]=4 1494 B12R1.17 CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210202 [1,1,0,0,0,0|1,0,1]=4 1495 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [1,1,0,0,0,0|0,0,1]=3 1496 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [1,1,0,0,0,0|0,0,1]=3 1497 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [1,1,0,0,0,0|0,0,1]=3 1498 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [1,1,0,0,0,0|0,0,1]=3 1499 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [1,1,0,0,0,0|0,0,1]=3 1500 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [1,1,0,0,0,0|0,0,1]=3 1501 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [1,1,0,0,0,0|0,0,1]=3 1502 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [1,1,0,0,0,0|0,0,1]=3 1503 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [1,1,0,0,0,0|0,0,1]=3 1504 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [1,1,0,0,0,0|0,0,1]=3 1505 B12R1.17 CCOC(C)c1cccc(n1)Br 7a_100009820884_100000210202 [1,1,0,0,0,0|1,0,1]=4 1506 B12R1.17 CCOC(C)c1cccc(n1)C 34a_200011877368_100000210202 [1,1,0,0,0,0|1,0,1]=4 1507 B12R1.17 CCOC(C)c1cccc(n1)C 7a_200011877368_100000210202 [1,1,0,0,0,0|1,0,1]=4 1508 B12R1.17 CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210202 [1,1,0,0,0,0|1,0,1]=4 1509 B12R1.17 CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210202 [1,1,0,0,0,0|1,0,1]=4 1510 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [1,1,0,0,0,0|0,0,1]=3 1511 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [1,1,0,0,0,0|0,0,1]=3 1512 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [1,1,0,0,0,0|2,0,0]=4 1513 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [1,1,0,0,0,0|2,0,0]=4 1514 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [1,1,0,0,0,0|2,0,0]=4 1515 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [1,1,0,0,0,0|2,0,0]=4 1516 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [1,1,0,0,0,0|2,0,0]=4 1517 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [1,1,0,0,0,0|2,0,0]=4 1518 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [1,1,0,0,0,0|2,0,0]=4 1519 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [1,1,0,0,0,0|2,0,0]=4 1520 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [1,1,0,0,0,0|2,0,0]=4 1521 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [1,1,0,0,0,0|2,0,0]=4 1522 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [1,1,0,0,0,0|2,0,0]=4 1523 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [1,1,0,0,0,0|2,0,0]=4 1524 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [1,1,0,0,0,0|2,0,0]=4 1525 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [1,1,0,0,0,0|2,0,0]=4 1526 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [1,1,0,0,0,0|2,0,0]=4 1527 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [1,1,0,0,0,0|1,0,1]=4 1528 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [1,1,0,0,0,0|1,0,1]=4 1529 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [1,1,0,0,0,0|1,0,1]=4 1530 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [1,1,0,0,0,0|1,0,1]=4 1531 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [1,1,0,0,0,0|2,0,0]=4 1532 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [1,1,0,0,0,0|2,0,0]=4 1533 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [1,1,0,0,0,0|2,0,0]=4 1534 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [1,1,0,0,0,0|0,0,2]=4 1535 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [1,1,0,0,0,0|0,0,2]=4 1536 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [1,1,0,0,0,0|0,0,2]=4 1537 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [1,1,0,0,0,0|2,0,0]=4 1538 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [1,1,0,0,0,0|2,0,0]=4 1539 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,1,0,0,0,0|1,0,1]=4 1540 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,1,0,0,0,0|1,0,1]=4 1541 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [1,1,0,0,0,0|0,0,1]=3 1542 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [1,1,0,0,0,0|0,0,1]=3 1543 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [1,1,0,0,0,0|0,0,1]=3 1544 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [1,1,0,0,0,0|0,1,1]=4 1545 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [1,1,0,0,0,0|0,1,1]=4 1546 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|2,0,0]=4 1547 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,1,0,0,0,0|1,0,1]=4 1548 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,1,0,0,0,0|1,0,1]=4 1549 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,1,0,0,0,0|2,0,0]=4 1550 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,1,0,0,0,0|2,0,0]=4 1551 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [1,1,0,0,0,0|2,0,0]=4 1552 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [1,1,0,0,0,0|2,0,0]=4 1553 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [1,1,0,0,0,0|2,0,0]=4 1554 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,1,0,0,0,0|1,0,1]=4 1555 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,1,0,0,0,0|1,0,1]=4 1556 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,1,0,0,0,0|1,0,1]=4 1557 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,1,0,0,0,0|1,0,1]=4 1558 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,1,0,0,0,0|1,0,1]=4 1559 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,1,0,0,0,0|0,0,1]=3 1560 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,1,0,0,0,0|0,0,1]=3 1561 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|0,1,0]=3 1562 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|0,1,0]=3 1563 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,1,0,0,0,0|0,1,1]=4 1564 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,1,0,0,0,0|0,1,1]=4 1565 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,1,0,0,0,0|0,1,1]=4 1566 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,1,0,0,0,0|0,1,1]=4 1567 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [1,1,0,0,0,0|2,0,0]=4 1568 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [1,1,0,0,0,0|2,0,0]=4 1569 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,1,0,0,0,0|1,0,1]=4 1570 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,1,0,0,0,0|1,0,1]=4 1571 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,1,0,0,0,0|0,0,1]=3 1572 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,1,0,0,0,0|0,0,1]=3 1573 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,1,0,0,0,0|0,0,1]=3 1574 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,1,0,0,0,0|0,1,1]=4 1575 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,1,0,0,0,0|0,1,1]=4 1576 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,1]=4 1577 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,1]=4 1578 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,1]=4 1579 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,1]=4 1580 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,1,0,0,0,0|0,0,1]=3 1581 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,1,0,0,0,0|0,0,1]=3 1582 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,1,0,0,0,0|0,0,1]=3 1583 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,1,0,0,0,0|1,0,1]=4 1584 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|1,0,1]=4 1586 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,1,0,0,0,0|1,0,1]=4 1587 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,1,0,0,0,0|0,1,1]=4 1588 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,1,0,0,0,0|0,1,1]=4 1589 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|1,0,1]=4 1590 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,1,0,0,0,0|1,0,1]=4 1591 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,1,0,0,0,0|0,1,1]=4 1592 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,1,0,0,0,0|0,1,1]=4 1593 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,1,0,0,0,0|1,0,1]=4 1594 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,1,0,0,0,0|0,0,1]=3 1595 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,1,0,0,0,0|0,1,1]=4 1596 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,1,0,0,0,0|0,1,1]=4 1597 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|1,0,0]=3 1598 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,1,0,0,0,0|1,0,1]=4 1599 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,1,0,0,0,0|1,0,1]=4 1600 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [1,1,0,0,0,0|0,0,2]=4 1601 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|0,0,0]=2 1602 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|0,0,0]=2 1603 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,1,0,0,0,0|0,0,1]=3 1604 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,1,0,0,0,0|0,0,1]=3 1605 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,1,0,0,0,0|0,0,1]=3 1606 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,1,0,0,0,0|0,0,1]=3 1607 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [1,1,0,0,0,0|1,0,1]=4 1608 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,1,0,0,0,0|1,0,1]=4 1609 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,1,0,0,0,0|1,0,1]=4 1610 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [1,1,0,0,0,0|1,0,1]=4 1611 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [1,1,0,0,0,0|1,0,1]=4 1612 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [1,1,0,0,0,0|1,0,1]=4 1613 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [1,1,0,0,0,0|1,0,1]=4 1614 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|2,0,0]=4 1615 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1617 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 1618 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,1,0,0,0,0|2,0,0]=4 1620 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,1,0,0,0,0|2,0,0]=4 1621 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,1,0,0,0,0|2,0,0]=4 1622 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [1,1,0,0,0,0|1,0,1]=4 1623 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,1,0,0,0,0|2,0,0]=4 1624 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [1,1,0,0,0,0|1,0,1]=4 1625 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [1,1,0,0,0,0|1,0,1]=4 1626 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [1,1,0,0,0,0|0,0,1]=3 1627 B12R1.39 CCOC(C)(C)c1ccccn1 7a_100000041474_100000210202 [1,1,0,0,0,0|1,0,1]=4 1628 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [1,1,0,0,0,0|0,1,1]=4 1629 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [1,1,0,0,0,0|0,1,1]=4 1630 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1631 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,1,0,0,0,0|2,0,0]=4 1633 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,1,0,0,0,0|2,0,0]=4 1634 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,1,0,0,0,0|2,0,0]=4 1635 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [1,1,0,0,0,0|1,0,1]=4 1636 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [1,1,0,0,0,0|1,0,1]=4 1637 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [1,1,0,0,0,0|1,0,1]=4 1638 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [1,1,0,0,0,0|1,0,1]=4 1639 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [1,1,0,0,0,0|1,0,1]=4 1640 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [1,1,0,0,0,0|1,0,1]=4 1641 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [1,1,0,0,0,0|1,0,1]=4 1642 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [1,1,0,0,0,0|1,0,1]=4 1643 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [1,1,0,0,0,0|1,0,1]=4 1644 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [1,1,0,0,0,0|1,0,1]=4 1645 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [1,1,0,0,0,0|1,0,1]=4 1646 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [1,1,0,0,0,0|1,0,1]=4 1647 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [1,1,0,0,0,0|1,0,1]=4 1648 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [1,1,0,0,0,0|1,0,1]=4 1649 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [1,1,0,0,0,0|1,0,1]=4 1650 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [1,1,0,0,0,0|1,0,1]=4 1651 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [1,1,0,0,0,0|1,0,1]=4 1652 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [1,1,0,0,0,0|1,0,1]=4 1653 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [1,1,0,0,0,0|1,0,1]=4 1654 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [1,1,0,0,0,0|1,0,1]=4 1655 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [1,1,0,0,0,0|1,0,1]=4 1656 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [1,1,0,0,0,0|1,0,1]=4 1657 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [1,1,0,0,0,0|0,0,1]=3 1658 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [1,1,0,0,0,0|0,0,1]=3 1659 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [1,1,0,0,0,0|0,0,1]=3 1660 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [1,1,0,0,0,0|0,0,1]=3 1661 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [1,1,0,0,0,0|0,0,1]=3 1662 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [1,1,0,0,0,0|0,0,1]=3 1663 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [1,1,0,0,0,0|0,0,1]=3 1664 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [1,1,0,0,0,0|0,0,1]=3 1665 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [1,1,0,0,0,0|0,0,1]=3 1666 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [1,1,0,0,0,0|0,0,1]=3 1667 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [1,1,0,0,0,0|1,0,1]=4 1668 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [1,1,0,0,0,0|1,0,1]=4 1669 B12R1.308 CCOC(C)c1ccncc1F 34a_100012180158_100000210202 [1,1,0,0,0,0|1,0,1]=4 1670 B12R1.308 CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210202 [1,1,0,0,0,0|1,0,1]=4 1671 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [1,1,0,0,0,0|0,1,1]=4 1672 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [1,1,0,0,0,0|0,1,1]=4 1673 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [1,1,0,0,0,0|0,1,1]=4 1674 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [1,1,0,0,0,0|0,1,1]=4 1675 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [1,1,0,0,0,0|2,0,0]=4 1676 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [1,1,0,0,0,0|2,0,0]=4 1677 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [1,1,0,0,0,0|2,0,0]=4 1678 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [1,1,0,0,0,0|2,0,0]=4 1679 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [1,1,0,0,0,0|2,0,0]=4 1680 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [1,1,0,0,0,0|2,0,0]=4 1681 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [1,1,0,0,0,0|2,0,0]=4 1682 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [1,1,0,0,0,0|2,0,0]=4 1683 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [1,1,0,0,0,0|2,0,0]=4 1685 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [1,1,0,0,0,0|1,0,1]=4 1686 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [1,1,0,0,0,0|1,0,1]=4 1687 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [1,1,0,0,0,0|2,0,0]=4 1688 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [1,1,0,0,0,0|2,0,0]=4 1689 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [1,1,0,0,0,0|2,0,0]=4 1690 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,1,0,0,0,0|1,0,1]=4 1691 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [1,1,0,0,0,0|1,0,1]=4 1692 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [1,1,0,0,0,0|1,0,1]=4 1693 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [1,1,0,0,0,0|1,0,1]=4 1694 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,1,0,0,0,0|1,0,1]=4 1695 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,1,0,0,0,0|1,0,1]=4 1696 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,1,0,0,0,0|1,0,1]=4 1697 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,1,0,0,0,0|1,0,1]=4 1698 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,1,0,0,0,0|1,0,1]=4 1699 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|1,0,0]=3 1700 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|1,0,0]=3 1701 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|1,0,0]=3 1702 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|1,0,0]=3 1703 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|1,0,0]=3 1704 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|1,0,0]=3 1705 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|1,0,0]=3 1706 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|1,0,0]=3 1707 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|1,0,0]=3 1708 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|1,0,0]=3 1709 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1710 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|1,0,0]=3 1711 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1712 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,1,0,0,0,0|2,0,0]=4 1713 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1718 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,1,0,0,0,0|1,0,0]=3 1722 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,1,0,0,0,0|1,0,0]=3 1723 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,1,0,0,0,0|1,0,0]=3 1724 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,1,0,0,0,0|1,0,0]=3 1725 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|1,0,0]=3 1726 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|1,0,0]=3 1727 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|1,0,0]=3 1728 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|1,0,0]=3 1729 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,1,0,0,0,0|1,0,0]=3 1730 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,1,0,0,0,0|1,0,0]=3 1731 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,1,0,0,0,0|1,0,0]=3 1732 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,1,0,0,0,0|1,0,0]=3 1733 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,1,0,0,0,0|1,0,0]=3 1734 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,1,0,0,0,0|1,0,0]=3 1735 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,1,0,0,0,0|1,0,0]=3 1736 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,1,0,0,0,0|1,0,0]=3 1737 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,1,0,0,0,0|1,0,0]=3 1738 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,1,0,0,0,0|1,0,0]=3 1739 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,1,0,0,0,0|1,0,0]=3 1740 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,1,0,0,0,0|1,0,0]=3 1741 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|1,0,0]=3 1742 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|1,0,0]=3 1743 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|1,0,0]=3 1744 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1746 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1747 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [1,1,0,0,0,0|2,0,0]=4 1748 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [1,1,0,0,0,0|2,0,0]=4 1749 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [1,1,0,0,0,0|2,0,0]=4 1750 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [1,1,0,0,0,0|2,0,0]=4 1751 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [1,1,0,0,0,0|2,0,0]=4 1752 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [1,1,0,0,0,0|2,0,0]=4 1753 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [1,1,0,0,0,0|2,0,0]=4 1754 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [1,1,0,0,0,0|2,0,0]=4 1755 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [1,1,0,0,0,0|2,0,0]=4 1756 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [1,1,0,0,0,0|2,0,0]=4 1757 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [1,1,0,0,0,0|2,0,0]=4 1758 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [1,1,0,0,0,0|2,0,0]=4 1759 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [1,1,0,0,0,0|2,0,0]=4 1760 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [1,1,0,0,0,0|2,0,0]=4 1761 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [1,1,0,0,0,0|2,0,0]=4 1765 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [1,1,0,0,0,0|2,0,0]=4 1766 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [1,1,0,0,0,0|2,0,0]=4 1767 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [1,1,0,0,0,0|2,0,0]=4 1768 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [1,1,0,0,0,0|2,0,0]=4 1775 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,1,0,0,0,0|2,0,0]=4 1784 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [1,1,0,0,0,0|1,0,1]=4 1785 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [1,1,0,0,0,0|1,0,1]=4 1786 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [1,1,0,0,0,0|1,0,1]=4 1787 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [1,1,0,0,0,0|1,0,1]=4 1788 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [1,1,0,0,0,0|1,0,1]=4 1789 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [1,1,0,0,0,0|1,0,1]=4 1790 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [1,1,0,0,0,0|1,0,1]=4 1791 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [1,1,0,0,0,0|1,0,1]=4 1792 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [1,1,0,0,0,0|1,0,1]=4 1793 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [1,1,0,0,0,0|1,0,1]=4 1794 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [1,1,0,0,0,0|1,0,1]=4 1795 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [1,1,0,0,0,0|1,0,1]=4 1796 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [1,1,0,0,0,0|1,0,1]=4 1797 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,1,0,0,0,0|1,0,1]=4 1798 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|1,0,0]=3 1799 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [1,1,0,0,0,0|1,0,1]=4 1800 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [1,1,0,0,0,0|1,0,1]=4 1801 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [1,1,0,0,0,0|1,0,1]=4 1802 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [1,1,0,0,0,0|1,0,1]=4 1806 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [1,1,0,0,0,0|1,0,1]=4 1807 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [1,1,0,0,0,0|1,0,1]=4 1808 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,1,0,0,0,0|1,0,1]=4 1809 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,1,0,0,0,0|1,0,1]=4 1810 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,1,0,0,0,0|1,0,1]=4 1811 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,1,0,0,0,0|1,0,1]=4 1812 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|1,0,0]=3 1813 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|1,0,0]=3 1814 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|1,0,0]=3 1815 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|1,0,0]=3 1816 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1817 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [1,1,0,0,0,0|1,0,1]=4 1826 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [1,1,0,0,0,0|1,0,1]=4 1827 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [1,1,0,0,0,0|1,0,1]=4 1828 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [1,1,0,0,0,0|1,0,1]=4 1829 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,1,0,0,0,0|1,0,1]=4 1830 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [1,1,0,0,0,0|1,0,1]=4 1831 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [1,1,0,0,0,0|1,0,1]=4 1832 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [1,1,0,0,0,0|1,0,1]=4 1833 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [1,1,0,0,0,0|1,0,1]=4 1834 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [1,1,0,0,0,0|1,0,1]=4 1835 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [1,1,0,0,0,0|1,0,1]=4 1836 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [1,1,0,0,0,0|1,0,1]=4 1837 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [1,1,0,0,0,0|1,0,1]=4 1838 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,1,0,0,0,0|0,0,2]=4 1839 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,1,0,0,0,0|0,0,2]=4 1840 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [1,1,0,0,0,0|1,0,1]=4 1841 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,1,0,0,0,0|1,0,1]=4 1842 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,1,0,0,0,0|1,0,0]=3 1843 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,1,0,0,0,0|1,0,0]=3 1844 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [1,1,0,0,0,0|2,0,0]=4 1848 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [1,1,0,0,0,0|2,0,0]=4 1849 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [1,1,0,0,0,0|2,0,0]=4 1850 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1856 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1857 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1858 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,1,0,0,0,0|1,0,0]=3 1859 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [1,1,0,0,0,0|1,0,1]=4 1872 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [1,1,0,0,0,0|1,0,1]=4 1874 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [1,1,0,0,0,0|1,0,1]=4 1875 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,1,0,0,0,0|1,0,1]=4 1876 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,1,0,0,0,0|1,0,1]=4 1877 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,1,0,0,0,0|1,0,0]=3 1878 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1879 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1880 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1881 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [1,1,0,0,0,0|2,0,0]=4 1891 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [1,1,0,0,0,0|2,0,0]=4 1892 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,1,0,0,0,0|1,0,0]=3 1905 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,1,0,0,0,0|1,0,0]=3 1906 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,1,0,0,0,0|1,0,0]=3 1907 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,1,0,0,0,0|1,0,0]=3 1908 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,1,0,0,0,0|1,0,0]=3 1909 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,1,0,0,0,0|1,0,0]=3 1910 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [1,1,0,0,0,0|2,0,0]=4 1912 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [1,1,0,0,0,0|2,0,0]=4 1915 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [1,1,0,0,0,0|2,0,0]=4 1916 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [1,1,0,0,0,0|2,0,0]=4 1917 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [1,1,0,0,0,0|2,0,0]=4 1919 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [1,1,0,0,0,0|2,0,0]=4 1920 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [1,1,0,0,0,0|2,0,0]=4 1921 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [1,1,0,0,0,0|2,0,0]=4 1927 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [1,1,0,0,0,0|1,0,1]=4 1934 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,1,0,0,0,0|1,0,1]=4 1935 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,1,0,0,0,0|1,0,0]=3 1936 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|1,0,0]=3 1942 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1946 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1947 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,1,0,0,0,0|1,0,1]=4 1955 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,1,0,0,0,0|1,0,1]=4 1957 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,1,0,0,0,0|1,0,1]=4 1958 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1959 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|1,0,0]=3 1961 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|1,0,0]=3 1962 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1969 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1970 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|1,0,0]=3 1971 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|1,0,0]=3 1972 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|1,0,0]=3 1982 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|1,0,0]=3 1983 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,1,0,0,0,0|1,0,1]=4 1987 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1988 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|1,0,0]=3 1990 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [1,1,0,0,0,0|1,0,1]=4 1991 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,1,0,0,0,0|1,0,1]=4 1992 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,1,0,0,0,0|1,0,1]=4 1993 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,1,0,0,0,0|1,0,1]=4 1994 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,1,0,0,0,0|1,0,1]=4 1995 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,1,0,0,0,0|1,0,0]=3 1996 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,1,0,0,0,0|1,0,0]=3 1997 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|1,0,0]=3 1998 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|1,0,0]=3 1999 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,1,0,0,0,0|1,0,0]=3 2000 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,1,0,0,0,0|1,0,0]=3 2001 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,1,0,0,0,0|1,0,0]=3 2002 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,1,0,0,0,0|1,0,0]=3 2003 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,1,0,0,0,0|1,0,0]=3 2004 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|1,0,0]=3 2005 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|1,0,0]=3 2006 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [1,1,0,0,0,0|1,0,0]=3 2016 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [1,1,0,0,0,0|1,0,0]=3 2017 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [1,1,0,0,0,0|1,0,0]=3 2018 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [1,1,0,0,0,0|1,0,0]=3 2019 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|1,0,0]=3 2020 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|1,0,0]=3 2021 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|1,0,0]=3 2022 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|1,0,0]=3 2023 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [1,1,0,0,0,0|1,0,0]=3 2024 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [1,1,0,0,0,0|1,0,0]=3 2025 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [1,1,0,0,0,0|1,0,0]=3 2026 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [1,1,0,0,0,0|1,0,0]=3 2027 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [1,1,0,0,0,0|1,0,0]=3 2028 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [1,1,0,0,0,0|1,0,0]=3 2029 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [1,1,0,0,0,0|1,0,0]=3 2030 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [1,1,0,0,0,0|1,0,0]=3 2031 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [1,1,0,0,0,0|1,0,0]=3 2032 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [1,1,0,0,0,0|1,0,0]=3 2033 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [1,1,0,0,0,0|1,0,0]=3 2034 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [1,1,0,0,0,0|1,0,0]=3 2035 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|1,0,0]=3 2036 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|1,0,0]=3 2037 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|1,0,0]=3 2038 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2058 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2059 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [1,1,0,0,0,0|2,0,0]=4 2061 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [1,1,0,0,0,0|2,0,0]=4 2062 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [1,1,0,0,0,0|2,0,0]=4 2063 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [1,1,0,0,0,0|2,0,0]=4 2075 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [1,1,0,0,0,0|2,0,0]=4 2076 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [1,1,0,0,0,0|2,0,0]=4 2077 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [1,1,0,0,0,0|2,0,0]=4 2078 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [1,1,0,0,0,0|2,0,0]=4 2079 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [1,1,0,0,0,0|2,0,0]=4 2080 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [1,1,0,0,0,0|2,0,0]=4 2081 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [1,1,0,0,0,0|2,0,0]=4 2082 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [1,1,0,0,0,0|2,0,0]=4 2083 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [1,1,0,0,0,0|1,0,1]=4 2084 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [1,1,0,0,0,0|1,0,1]=4 2085 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [1,1,0,0,0,0|1,0,1]=4 2086 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [1,1,0,0,0,0|1,0,1]=4 2087 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [1,1,0,0,0,0|1,0,1]=4 2088 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [1,1,0,0,0,0|1,0,1]=4 2089 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [1,1,0,0,0,0|1,0,1]=4 2090 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [1,1,0,0,0,0|1,0,1]=4 2091 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [1,1,0,0,0,0|1,0,1]=4 2092 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [1,1,0,0,0,0|1,0,1]=4 2093 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [1,1,0,0,0,0|1,0,1]=4 2094 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [1,1,0,0,0,0|1,0,1]=4 2095 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [1,1,0,0,0,0|1,0,1]=4 2096 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|1,0,0]=3 2097 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [1,1,0,0,0,0|1,0,1]=4 2098 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [1,1,0,0,0,0|1,0,1]=4 2099 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [1,1,0,0,0,0|1,0,1]=4 2100 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,1,0,0,0,0|2,0,0]=4 2103 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [1,1,0,0,0,0|1,0,1]=4 2104 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,1,0,0,0,0|1,0,1]=4 2105 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,1,0,0,0,0|1,0,1]=4 2106 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,1,0,0,0,0|1,0,1]=4 2107 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,1,0,0,0,0|1,0,1]=4 2108 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,1,0,0,0,0|1,0,0]=3 2109 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,1,0,0,0,0|1,0,0]=3 2110 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,1,0,0,0,0|1,0,0]=3 2111 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,1,0,0,0,0|1,0,0]=3 2112 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|1,0,0]=3 2113 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [1,1,0,0,0,0|2,0,0]=4 2114 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [1,1,0,0,0,0|2,0,0]=4 2115 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2118 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,1,0,0,0,0|1,0,1]=4 2121 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [1,1,0,0,0,0|1,0,1]=4 2122 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [1,1,0,0,0,0|1,0,1]=4 2123 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [1,1,0,0,0,0|1,0,1]=4 2124 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [1,1,0,0,0,0|1,0,1]=4 2125 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,1,0,0,0,0|1,0,1]=4 2126 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,1,0,0,0,0|1,0,1]=4 2127 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,1,0,0,0,0|1,0,1]=4 2128 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,1,0,0,0,0|1,0,1]=4 2129 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,1,0,0,0,0|1,0,1]=4 2130 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,1,0,0,0,0|1,0,1]=4 2131 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|1,0,0]=3 2132 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|1,0,0]=3 2133 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|1,0,0]=3 2134 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|1,0,0]=3 2135 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|1,0,0]=3 2136 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|1,0,0]=3 2137 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|1,0,0]=3 2138 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|1,0,0]=3 2139 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|1,0,0]=3 2140 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|1,0,0]=3 2141 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|1,0,0]=3 2142 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,1,0,0,0,0|2,0,0]=4 2147 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [1,1,0,0,0,0|2,0,0]=4 2148 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [1,1,0,0,0,0|2,0,0]=4 2149 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [1,1,0,0,0,0|2,0,0]=4 2150 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [1,1,0,0,0,0|2,0,0]=4 2151 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [1,1,0,0,0,0|2,0,0]=4 2152 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [1,1,0,0,0,0|2,0,0]=4 2153 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [1,1,0,0,0,0|2,0,0]=4 2154 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [1,1,0,0,0,0|2,0,0]=4 2155 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [1,1,0,0,0,0|2,0,0]=4 2156 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [1,1,0,0,0,0|2,0,0]=4 2157 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [1,1,0,0,0,0|2,0,0]=4 2158 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [1,1,0,0,0,0|2,0,0]=4 2159 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2160 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2161 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2162 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,1,0,0,0,0|1,0,0]=3 2164 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,1,0,0,0,0|1,0,0]=3 2165 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,1,0,0,0,0|1,0,0]=3 2166 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,1,0,0,0,0|1,0,0]=3 2167 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,1,0,0,0,0|1,0,0]=3 2168 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,1,0,0,0,0|1,0,0]=3 2169 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,1,0,0,0,0|1,0,0]=3 2170 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,1,0,0,0,0|1,0,0]=3 2171 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,1,0,0,0,0|1,0,0]=3 2172 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,1,0,0,0,0|1,0,0]=3 2173 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,1,0,0,0,0|1,0,0]=3 2174 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,1,0,0,0,0|1,0,0]=3 2175 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,1,0,0,0,0|1,0,0]=3 2176 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,1,0,0,0,0|1,0,0]=3 2177 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,1,0,0,0,0|1,0,0]=3 2178 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,1,0,0,0,0|1,0,0]=3 2179 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,1,0,0,0,0|1,0,0]=3 2180 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,1,0,0,0,0|1,0,0]=3 2181 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,1,0,0,0,0|1,0,0]=3 2182 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,1,0,0,0,0|1,0,0]=3 2183 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|1,0,0]=3 2184 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|1,0,0]=3 2185 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|1,0,0]=3 2186 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [1,1,0,0,0,0|2,0,0]=4 2192 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [1,1,0,0,0,0|2,0,0]=4 2193 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [1,1,0,0,0,0|2,0,0]=4 2194 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [1,1,0,0,0,0|2,0,0]=4 2195 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [1,1,0,0,0,0|2,0,0]=4 2196 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [1,1,0,0,0,0|2,0,0]=4 2197 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [1,1,0,0,0,0|2,0,0]=4 2198 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [1,1,0,0,0,0|2,0,0]=4 2199 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [1,1,0,0,0,0|2,0,0]=4 2200 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [1,1,0,0,0,0|2,0,0]=4 2201 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [1,1,0,0,0,0|2,0,0]=4 2203 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [1,1,0,0,0,0|2,0,0]=4 2204 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [1,1,0,0,0,0|2,0,0]=4 2205 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [1,1,0,0,0,0|2,0,0]=4 2206 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [1,1,0,0,0,0|2,0,0]=4 2208 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [1,1,0,0,0,0|2,0,0]=4 2209 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [1,1,0,0,0,0|2,0,0]=4 2213 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [1,1,0,0,0,0|2,0,0]=4 2214 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [1,1,0,0,0,0|2,0,0]=4 2215 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [1,1,0,0,0,0|2,0,0]=4 2216 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [1,1,0,0,0,0|2,0,0]=4 2218 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [1,1,0,0,0,0|2,0,0]=4 2219 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [1,1,0,0,0,0|2,0,0]=4 2220 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [1,1,0,0,0,0|2,0,0]=4 2226 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [1,1,0,0,0,0|2,0,0]=4 2227 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [1,1,0,0,0,0|2,0,0]=4 2228 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [1,1,0,0,0,0|2,0,0]=4 2229 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [1,1,0,0,0,0|2,0,0]=4 2230 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [1,1,0,0,0,0|2,0,0]=4 2231 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [1,1,0,0,0,0|2,0,0]=4 2237 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [1,1,0,0,0,0|2,0,0]=4 2240 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [1,1,0,0,0,0|1,0,1]=4 2241 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [1,1,0,0,0,0|1,0,1]=4 2242 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [1,1,0,0,0,0|1,0,1]=4 2243 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [1,1,0,0,0,0|1,0,1]=4 2244 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2245 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [1,1,0,0,0,0|1,0,1]=4 2246 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [1,1,0,0,0,0|1,0,1]=4 2247 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [1,1,0,0,0,0|1,0,1]=4 2248 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [1,1,0,0,0,0|1,0,1]=4 2249 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [1,1,0,0,0,0|1,0,1]=4 2250 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [1,1,0,0,0,0|1,0,1]=4 2251 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [1,1,0,0,0,0|1,0,1]=4 2252 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [1,1,0,0,0,0|1,0,1]=4 2253 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [1,1,0,0,0,0|1,0,1]=4 2254 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [1,1,0,0,0,0|1,0,1]=4 2255 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,1,0,0,0,0|1,0,1]=4 2256 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|1,0,0]=3 2257 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [1,1,0,0,0,0|1,0,1]=4 2258 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [1,1,0,0,0,0|1,0,1]=4 2259 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [1,1,0,0,0,0|1,0,1]=4 2260 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [1,1,0,0,0,0|1,0,1]=4 2263 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [1,1,0,0,0,0|1,0,1]=4 2264 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [1,1,0,0,0,0|1,0,1]=4 2265 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,1,0,0,0,0|1,0,1]=4 2266 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,1,0,0,0,0|1,0,1]=4 2267 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,1,0,0,0,0|1,0,1]=4 2268 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,1,0,0,0,0|1,0,1]=4 2269 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|1,0,0]=3 2271 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|1,0,0]=3 2272 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|1,0,0]=3 2273 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|1,0,0]=3 2274 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|1,0,0]=3 2275 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,1,0,0,0,0|2,0,0]=4 2277 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,1,0,0,0,0|2,0,0]=4 2278 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,1,0,0,0,0|2,0,0]=4 2279 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [1,1,0,0,0,0|1,0,1]=4 2280 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [1,1,0,0,0,0|1,0,1]=4 2281 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [1,1,0,0,0,0|1,0,1]=4 2282 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [1,1,0,0,0,0|2,0,0]=4 2283 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,1,0,0,1,0|1,0,1]=4 2284 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,1,0,0,1,0|1,0,1]=4 2285 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,1,0,0,1,0|1,0,1]=4 2286 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,1,0,0,1,0|1,0,1]=4 2287 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,1,0,0,1,0|1,0,1]=4 2288 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,1,0|1,0,1]=4 2289 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,1,0|0,0,0]=2 2290 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,1,0|0,0,0]=2 2291 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,1,0|0,0,0]=2 2292 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,1,0|0,0,0]=2 2293 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,1,0|0,0,0]=2 2294 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,1,0|0,0,0]=2 2295 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,1,0|0,0,0]=2 2296 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,1,0|0,0,0]=2 2297 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,1,0|1,0,0]=3 2298 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,1,0|1,0,0]=3 2299 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,1,0|1,0,0]=3 2300 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,1,0|1,0,0]=3 2301 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,1,0|1,0,0]=3 2302 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,1,0|1,0,0]=3 2303 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,1,0|1,0,0]=3 2304 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,1,0|1,0,0]=3 2305 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,1,0|1,0,0]=3 2306 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,1,0|1,0,0]=3 2307 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,1,0|1,0,0]=3 2308 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,1,0|1,0,0]=3 2309 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,1,0|1,0,0]=3 2310 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,1,0|1,0,0]=3 2311 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,1,0|1,0,0]=3 2312 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,1,0|1,0,0]=3 2313 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,1,0|1,0,0]=3 2314 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,1,0|1,0,0]=3 2315 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,1,0|1,0,0]=3 2316 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,1,0|1,0,0]=3 2317 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,1,0|1,0,0]=3 2318 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,1,0|1,0,0]=3 2319 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,1,0|1,0,0]=3 2320 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,1,0|1,0,0]=3 2321 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,1,0|0,0,0]=2 2322 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,1,0|0,0,0]=2 2323 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,1,0|0,0,0]=2 2324 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,1,0,0,1,0|2,0,0]=4 2325 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,1,0,0,1,0|2,0,0]=4 2326 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,1,0,0,1,0|2,0,0]=4 2327 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,1,0,0,1,0|2,0,0]=4 2328 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,1,0,0,1,0|2,0,0]=4 2329 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,1,0,0,1,0|2,0,0]=4 2330 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,1,0,0,1,0|2,0,0]=4 2331 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,1,0,0,1,0|2,0,0]=4 2332 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,1,0,0,1,0|2,0,0]=4 2333 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,1,0,0,1,0|2,0,0]=4 2334 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,1,0,0,1,0|2,0,0]=4 2335 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,1,0,0,1,0|2,0,0]=4 2336 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,1,0,0,1,0|2,0,0]=4 2337 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,1,0,0,1,0|2,0,0]=4 2338 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,1,0,0,1,0|2,0,0]=4 2339 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,1,0,0,1,0|2,0,0]=4 2340 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,1,0,0,1,0|2,0,0]=4 2341 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,1,0,0,1,0|2,0,0]=4 2342 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,1,0,0,1,0|2,0,0]=4 2343 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,1,0,0,1,0|2,0,0]=4 2344 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,1,0|0,0,0]=2 2345 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,1,0,0,1,0|2,0,0]=4 2346 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,1,0,0,1,0|2,0,0]=4 2347 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,1,0|1,0,0]=3 2348 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,1,0|1,0,0]=3 2349 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,1,0|1,0,0]=3 2350 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,1,0|1,0,0]=3 2351 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,1,0|1,0,0]=3 2352 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,1,0|1,0,0]=3 2353 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,0,0,1,0|1,0,1]=4 2354 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,0,0,1,0|1,0,1]=4 2355 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,0,0,1,0|1,0,1]=4 2356 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,0,0,1,0|1,0,1]=4 2357 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,0,0,1,0|1,0,1]=4 2358 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,1,0|1,0,1]=4 2359 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,1,0|0,0,0]=2 2360 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,1,0|0,0,0]=2 2361 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,1,0|0,0,0]=2 2362 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,1,0|0,0,0]=2 2363 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,1,0|1,0,0]=3 2364 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,1,0|1,0,0]=3 2365 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,1,0|1,0,0]=3 2366 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,0,0,1,0|1,0,0]=3 2367 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,0,0,1,0|1,0,0]=3 2368 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,1,0|1,0,0]=3 2369 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,1,0|1,0,0]=3 2370 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,1,0|1,0,0]=3 2371 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,0,0,1,0|1,0,0]=3 2372 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,0,0,1,0|1,0,0]=3 2373 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,0,0,1,0|1,0,0]=3 2374 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,0,0,1,0|1,0,0]=3 2375 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,0,0,1,0|1,0,0]=3 2376 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,1,0|1,0,0]=3 2377 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,1,0|1,0,0]=3 2378 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,1,0|0,0,0]=2 2379 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,1,0|0,0,0]=2 2380 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,1,0,0,1,0|2,0,0]=4 2381 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,1,0,0,1,0|2,0,0]=4 2382 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,1,0,0,1,0|2,0,0]=4 2383 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,1,0,0,1,0|2,0,0]=4 2384 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,1,0,0,1,0|2,0,0]=4 2385 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,1,0,0,1,0|2,0,0]=4 2386 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,1,0,0,1,0|2,0,0]=4 2387 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,1,0,0,1,0|2,0,0]=4 2388 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,1,0,0,1,0|2,0,0]=4 2389 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,1,0,0,1,0|2,0,0]=4 2390 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,1,0,0,1,0|2,0,0]=4 2391 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,1,0,0,1,0|2,0,0]=4 2392 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,1,0,0,1,0|2,0,0]=4 2393 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,1,0,0,1,0|2,0,0]=4 2394 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,1,0|1,0,0]=3 2395 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,1,0|1,0,0]=3 2396 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,1,0|1,0,0]=3 2397 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,1,0,0,1,0|1,0,1]=4 2398 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,1,0,0,1,0|1,0,1]=4 2399 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,1,0,0,1,0|1,0,1]=4 2400 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,1,0,0,1,0|1,0,1]=4 2401 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,1,0,0,1,0|1,0,1]=4 2402 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,1,0,0,1,0|1,0,1]=4 2403 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,1,0,0,1,0|1,0,1]=4 2404 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,1,0|0,0,0]=2 2405 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,1,0|0,0,0]=2 2406 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,1,0|0,0,0]=2 2407 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,1,0|1,0,0]=3 2408 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,1,0|1,0,0]=3 2409 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,1,0|1,0,0]=3 2410 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,0,0,1,0|1,0,0]=3 2411 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,0,0,1,0|1,0,0]=3 2412 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,0,0,1,0|1,0,0]=3 2413 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,0,0,1,0|1,0,0]=3 2414 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,1,0|1,0,0]=3 2415 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,1,0|1,0,0]=3 2416 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,1,0|1,0,0]=3 2417 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,0,0,1,0|1,0,0]=3 2418 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,0,0,1,0|1,0,0]=3 2419 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,0,0,1,0|1,0,0]=3 2420 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,0,0,1,0|1,0,0]=3 2421 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,0,0,1,0|1,0,0]=3 2422 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,0,0,1,0|1,0,0]=3 2423 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,0,0,1,0|1,0,0]=3 2424 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,0,0,1,0|1,0,0]=3 2425 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,0,0,1,0|1,0,0]=3 2426 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,0,0,1,0|1,0,0]=3 2427 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,1,0|0,0,0]=2 2428 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,1,0|0,0,0]=2 2429 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,1,0|0,0,0]=2 2430 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,1,0|0,0,0]=2 2431 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [0,1,0,0,1,0|2,0,0]=4 2432 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [0,1,0,0,1,0|2,0,0]=4 2433 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [0,1,0,0,1,0|2,0,0]=4 2434 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [0,1,0,0,1,0|2,0,0]=4 2435 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [0,1,0,0,1,0|2,0,0]=4 2436 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [0,1,0,0,1,0|2,0,0]=4 2437 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [0,1,0,0,1,0|2,0,0]=4 2438 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [0,1,0,0,1,0|2,0,0]=4 2439 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [0,1,0,0,1,0|2,0,0]=4 2440 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [0,1,0,0,1,0|2,0,0]=4 2441 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,1,0|1,0,0]=3 2442 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,1,0|0,0,0]=2 2443 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,1,0|1,0,0]=3 2444 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,1,0|1,0,0]=3 2445 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,0,0,1,0|0,0,0]=2 2446 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,0,0,1,0|0,0,0]=2 2447 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,1,0,0,1,0|1,0,0]=3 2448 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,0,0,1,0|0,0,0]=2 2449 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,0,0,1,0|0,0,0]=2 2450 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,1,0,0,1,0|2,0,0]=4 2451 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,1,0,0,1,0|2,0,0]=4 2452 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,0,0,1,0|0,0,0]=2 2453 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,1,0|1,0,0]=3 2454 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,1,0|1,0,0]=3 2455 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,1,0|1,0,0]=3 2456 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,1,0|1,0,0]=3 2457 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,1,0|0,0,0]=2 2458 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,1,0|0,0,0]=2 2459 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,1,0|0,0,0]=2 2460 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,0,0,1,0|1,0,1]=4 2461 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,0,0,1,0|1,0,1]=4 2462 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,1,0,0,1,0|1,0,1]=4 2463 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,1,0,0,1,0|1,0,1]=4 2464 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,1,0|0,0,0]=2 2465 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,1,0|0,0,0]=2 2466 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,1,0,0,1,0|2,0,0]=4 2467 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,1,0,0,1,0|2,0,0]=4 2468 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,1,0,0,1,0|2,0,0]=4 2469 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,1,0,0,1,0|2,0,0]=4 2470 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,0,0,1,0|1,0,0]=3 2471 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,0,0,1,0|1,0,0]=3 2472 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,0,0,1,0|1,0,0]=3 2473 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,1,0|0,0,0]=2 2474 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,1,0|0,0,0]=2 2475 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,1,0|1,0,0]=3 2476 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,1,0|1,0,0]=3 2477 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,1,0|1,0,0]=3 2478 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,1,0,0,1,0|2,0,0]=4 2479 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,1,0|1,0,0]=3 2480 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,1,0|0,0,2]=4 2481 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,1,0,0,1,0|1,0,1]=4 2482 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,1,0,0,1,0|1,0,1]=4 2483 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,1,0|1,0,0]=3 2484 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,1,0|1,0,0]=3 2485 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,0,0,1,0|1,0,1]=4 2486 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,0,0,1,0|1,0,1]=4 2487 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,1,0|0,0,0]=2 2488 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,1,0|0,0,0]=2 2489 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,1,0|0,0,0]=2 2490 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,1,0|0,0,0]=2 2491 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,1,0|1,0,0]=3 2492 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,1,0|1,0,0]=3 2493 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,1,0|0,0,2]=4 2494 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,1,0|0,0,0]=2 2495 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,1,0|1,0,0]=3 2496 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,1,0,0,1,0|2,0,0]=4 2497 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,1,0|1,0,0]=3 2498 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,1,0|1,0,0]=3 2499 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,1,0|1,0,0]=3 2500 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,1,0|1,0,0]=3 2501 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,1,0|1,0,0]=3 2502 B12R1.15 CC(NC(=O)CO)c1cccs1 240690a_100000703493_100000210174 [0,1,0,0,1,0|2,0,0]=4 2503 B12R1.15 CC(NC(=O)CO)c1cccs1 527a_100000703493_100000210174 [0,1,0,0,1,0|2,0,0]=4 2504 B12R1.15 CC(NC(=O)CO)c1ccoc1 240690a_100000690049_100000210174 [0,1,0,0,1,0|2,0,0]=4 2505 B12R1.15 CC(NC(=O)CO)c1ccoc1 527a_100000690049_100000210174 [0,1,0,0,1,0|2,0,0]=4 2506 B12R1.15 CC(NC(=O)CO)c1ccsc1 240690a_100000748604_100000210174 [0,1,0,0,1,0|2,0,0]=4 2507 B12R1.15 CC(NC(=O)CO)c1ccsc1 527a_100000748604_100000210174 [0,1,0,0,1,0|2,0,0]=4 2508 B12R1.15 CCC(=O)NC(C)c1cccs1 11a_100000703493_100000210414 [0,1,0,0,1,0|2,0,0]=4 2509 B12R1.15 CCC(=O)NC(C)c1cccs1 1626a_100000703493_100000210414 [0,1,0,0,1,0|2,0,0]=4 2510 B12R1.15 CCC(=O)NC(C)c1cccs1 240690a_100000703493_100000210414 [0,1,0,0,1,0|2,0,0]=4 2511 B12R1.15 CCC(=O)NC(C)c1cccs1 527a_100000703493_100000210414 [0,1,0,0,1,0|2,0,0]=4 2512 B12R1.15 CCC(=O)NC(C)c1ccoc1 11a_100000690049_100000210414 [0,1,0,0,1,0|2,0,0]=4 2513 B12R1.15 CCC(=O)NC(C)c1ccoc1 1626a_100000690049_100000210414 [0,1,0,0,1,0|2,0,0]=4 2514 B12R1.15 CCC(=O)NC(C)c1ccoc1 240690a_100000690049_100000210414 [0,1,0,0,1,0|2,0,0]=4 2515 B12R1.15 CCC(=O)NC(C)c1ccoc1 527a_100000690049_100000210414 [0,1,0,0,1,0|2,0,0]=4 2516 B12R1.15 CCC(=O)NC(C)c1ccsc1 11a_100000748604_100000210414 [0,1,0,0,1,0|2,0,0]=4 2517 B12R1.15 CCC(=O)NC(C)c1ccsc1 1626a_100000748604_100000210414 [0,1,0,0,1,0|2,0,0]=4 2518 B12R1.15 CCC(=O)NC(C)c1ccsc1 240690a_100000748604_100000210414 [0,1,0,0,1,0|2,0,0]=4 2519 B12R1.15 CCC(=O)NC(C)c1ccsc1 527a_100000748604_100000210414 [0,1,0,0,1,0|2,0,0]=4 2520 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2521 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2522 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2523 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2524 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100000703493_106832991635 [0,1,0,0,1,0|2,0,0]=4 2525 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100102657272_100000703493 [0,1,0,0,1,0|2,0,0]=4 2526 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100000703493_100102657272 [0,1,0,0,1,0|2,0,0]=4 2527 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100102657272_100000703493 [0,1,0,0,1,0|2,0,0]=4 2528 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_100000703493_100102657272 [0,1,0,0,1,0|2,0,0]=4 2529 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_106832991638_100000703493 [0,1,0,0,1,0|2,0,0]=4 2530 B12R1.15 CNC(=O)NC(C)c1ccoc1 2708a_100000690049_106832991635 [0,1,0,0,1,0|2,0,0]=4 2531 B12R1.15 CNC(=O)NC(C)c1ccoc1 2708a_100102657272_100000690049 [0,1,0,0,1,0|2,0,0]=4 2532 B12R1.15 CNC(=O)NC(C)c1ccoc1 273464a_100000690049_100102657272 [0,1,0,0,1,0|2,0,0]=4 2533 B12R1.15 CNC(=O)NC(C)c1ccoc1 273464a_100102657272_100000690049 [0,1,0,0,1,0|2,0,0]=4 2534 B12R1.15 CNC(=O)NC(C)c1ccoc1 512a_100000690049_100102657272 [0,1,0,0,1,0|2,0,0]=4 2535 B12R1.15 CNC(=O)NC(C)c1ccoc1 512a_106832991638_100000690049 [0,1,0,0,1,0|2,0,0]=4 2536 B12R1.15 CNC(=O)NC(C)c1ccsc1 2708a_100000748604_106832991635 [0,1,0,0,1,0|2,0,0]=4 2537 B12R1.15 CNC(=O)NC(C)c1ccsc1 2708a_100102657272_100000748604 [0,1,0,0,1,0|2,0,0]=4 2538 B12R1.15 CNC(=O)NC(C)c1ccsc1 273464a_100000748604_100102657272 [0,1,0,0,1,0|2,0,0]=4 2539 B12R1.15 CNC(=O)NC(C)c1ccsc1 273464a_100102657272_100000748604 [0,1,0,0,1,0|2,0,0]=4 2540 B12R1.15 CNC(=O)NC(C)c1ccsc1 512a_100000748604_100102657272 [0,1,0,0,1,0|2,0,0]=4 2541 B12R1.15 CNC(=O)NC(C)c1ccsc1 512a_106832991638_100000748604 [0,1,0,0,1,0|2,0,0]=4 2542 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [0,1,0,0,1,0|2,0,0]=4 2543 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [0,1,0,0,1,0|2,0,0]=4 2544 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [0,1,0,0,1,0|2,0,0]=4 2545 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [0,1,0,0,1,0|2,0,0]=4 2546 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [0,1,0,0,1,0|2,0,0]=4 2547 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [0,1,0,0,1,0|2,0,0]=4 2548 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [0,1,0,0,1,0|2,0,0]=4 2549 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [0,1,0,0,1,0|2,0,0]=4 2550 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 11a_100159270200_100015343762 [0,1,0,0,1,0|2,0,0]=4 2551 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 1626a_100159270200_100015343762 [0,1,0,0,1,0|2,0,0]=4 2552 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 240690a_100159270200_100015343762 [0,1,0,0,1,0|2,0,0]=4 2553 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 527a_100159270200_100103153847 [0,1,0,0,1,0|2,0,0]=4 2554 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 11a_100102723530_100015343762 [0,1,0,0,1,0|2,0,0]=4 2555 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 1626a_100102723530_100015343762 [0,1,0,0,1,0|2,0,0]=4 2556 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 240690a_100102723530_100015343762 [0,1,0,0,1,0|2,0,0]=4 2557 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 527a_100102723530_100103153847 [0,1,0,0,1,0|2,0,0]=4 2558 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 11a_100102723459_100015343762 [0,1,0,0,1,0|2,0,0]=4 2559 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 1626a_100102723459_100015343762 [0,1,0,0,1,0|2,0,0]=4 2560 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 527a_100102723459_100103153847 [0,1,0,0,1,0|2,0,0]=4 2561 B12R1.120 CC(=O)N(C)C(C)c1ccco1 11a_100000232712_100015343762 [0,1,0,0,1,0|2,0,0]=4 2562 B12R1.120 CC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100015343762 [0,1,0,0,1,0|2,0,0]=4 2563 B12R1.120 CC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100015343762 [0,1,0,0,1,0|2,0,0]=4 2564 B12R1.120 CC(=O)N(C)C(C)c1ccco1 527a_100000232712_100103153847 [0,1,0,0,1,0|2,0,0]=4 2565 B12R1.120 CC(=O)N(C)C(C)c1cccs1 1626a_100000186410_100015343762 [0,1,0,0,1,0|2,0,0]=4 2566 B12R1.120 CC(=O)N(C)C(C)c1cccs1 240690a_100000186410_100015343762 [0,1,0,0,1,0|2,0,0]=4 2567 B12R1.120 CC(=O)N(C)C(C)c1cccs1 527a_100000186410_100103153847 [0,1,0,0,1,0|2,0,0]=4 2568 B12R1.259 CC(=O)CC(C)(C)n1cccc1 1458a_200011216365_200000210301 [0,1,0,0,1,0|2,0,0]=4 2569 B12R1.259 CC(=O)NC(C)(C)c1cccs1 11a_100000757009_100015343762 [0,1,0,0,1,0|2,0,0]=4 2570 B12R1.259 CC(=O)NC(C)(C)c1cccs1 1626a_100000757009_100015343762 [0,1,0,0,1,0|2,0,0]=4 2571 B12R1.259 CC(=O)NC(C)(C)c1cccs1 240690a_100000757009_100015343762 [0,1,0,0,1,0|2,0,0]=4 2572 B12R1.259 CC(=O)NC(C)(C)c1cccs1 527a_100000757009_100103153847 [0,1,0,0,1,0|2,0,0]=4 2573 B12R1.259 CC(C)(CC(=O)[13CH3])n1cccc1 1458a_200011216365_200025704644 [0,1,0,0,1,0|2,0,0]=4 2574 B12R1.476 CC(=O)NC(CO)c1cccs1 240690a_100102422791_100015343762 [0,1,0,0,1,0|2,0,0]=4 2575 B12R1.476 CC(=O)NC(CO)c1cccs1 527a_100102422791_100103153847 [0,1,0,0,1,0|2,0,0]=4 2576 B12R1.476 CCC(NC(=O)C)c1ccco1 11a_100015202707_100015343762 [0,1,0,0,1,0|2,0,0]=4 2577 B12R1.476 CCC(NC(=O)C)c1ccco1 1626a_100015202707_100015343762 [0,1,0,0,1,0|2,0,0]=4 2578 B12R1.476 CCC(NC(=O)C)c1ccco1 240690a_100015202707_100015343762 [0,1,0,0,1,0|2,0,0]=4 2579 B12R1.476 CCC(NC(=O)C)c1ccco1 527a_100015202707_100103153847 [0,1,0,0,1,0|2,0,0]=4 2580 B12R1.476 CCC(NC(=O)C)c1cccs1 11a_100000743277_100015343762 [0,1,0,0,1,0|2,0,0]=4 2581 B12R1.476 CCC(NC(=O)C)c1cccs1 1626a_100000743277_100015343762 [0,1,0,0,1,0|2,0,0]=4 2582 B12R1.476 CCC(NC(=O)C)c1cccs1 240690a_100000743277_100015343762 [0,1,0,0,1,0|2,0,0]=4 2583 B12R1.476 CCC(NC(=O)C)c1cccs1 527a_100000743277_100103153847 [0,1,0,0,1,0|2,0,0]=4 2584 B14R1.149 C=C(C)CNC(C)c1cccc(c1)Br 2230a_100020642005_100000748629 [0,1,0,0,0,1|2,0,0]=4 2585 B14R1.149 C=C(C)CNC(C)c1cccc(c1)Cl 2230a_100102723534_100000748629 [0,1,0,0,0,1|2,0,0]=4 2586 B14R1.149 C=C(C)CNC(C)c1cccc(c1)Cl 34a_100102723534_100000748629 [0,1,0,0,0,1|2,0,0]=4 2587 B14R1.149 C=C(C)CNC(C)c1cccc(c1)O 2230a_100000740644_100000748629 [0,1,0,0,0,1|2,0,0]=4 2588 B14R1.149 C=C(C)CN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000748629 [0,1,0,0,0,1|2,0,0]=4 2589 B14R1.149 C=C(C)CN[C@H](C)c1cccc(c1)C 34a_100000698126_100000748629 [0,1,0,0,0,1|2,0,0]=4 2590 B14R1.149 C=C(C)CN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000748629 [0,1,0,0,0,1|2,0,0]=4 2591 B14R1.149 C=C(C)CN[C@H](C)c1cccc(c1)F 34a_100015193778_100000748629 [0,1,0,0,0,1|2,0,0]=4 2592 B14R1.149 C=C(C)COC(C)c1cc(ccn1)Cl 7a_100000144657_100000748629 [0,1,0,0,0,1|2,0,0]=4 2593 B14R1.149 C=C(C)COC(C)c1cccc(c1)Br 34a_100000246457_100000748629 [0,1,0,0,0,1|1,0,0]=3 2594 B14R1.149 C=C(C)COC(C)c1cccc(c1)Br 7a_100000246457_100000748629 [0,1,0,0,0,1|1,0,0]=3 2595 B14R1.149 C=C(C)COC(C)c1cccc(c1)C 34a_100000757818_100000748629 [0,1,0,0,0,1|1,0,0]=3 2596 B14R1.149 C=C(C)COC(C)c1cccc(c1)C 7a_100000757818_100000748629 [0,1,0,0,0,1|1,0,0]=3 2597 B14R1.149 C=C(C)COC(C)c1cccc(c1)F 34a_100000744526_100000748629 [0,1,0,0,0,1|1,0,0]=3 2598 B14R1.149 C=C(C)COC(C)c1cccc(c1)F 7a_100000744526_100000748629 [0,1,0,0,0,1|1,0,0]=3 2599 B14R1.149 C=C(C)COC(C)c1cccc(c1)I 34a_100013085317_100000748629 [0,1,0,0,0,1|1,0,0]=3 2600 B14R1.149 C=C(C)COC(C)c1cccc(c1)I 7a_100013085317_100000748629 [0,1,0,0,0,1|1,0,0]=3 2601 B14R1.149 C=C(C)COC(C)c1cccc(c1)N 34a_100011217120_100000748629 [0,1,0,0,0,1|1,0,0]=3 2602 B14R1.149 C=C(C)COC(C)c1cccc(c1)N 7a_100011217120_100000748629 [0,1,0,0,0,1|1,0,0]=3 2603 B14R1.149 C=C(C)COC(C)c1cccc(n1)Br 7a_100009820884_100000748629 [0,1,0,0,0,1|2,0,0]=4 2604 B14R1.149 C=C(C)COC(C)c1cccc(n1)C 34a_200011877368_100000748629 [0,1,0,0,0,1|2,0,0]=4 2605 B14R1.149 C=C(C)COC(C)c1cccc(n1)C 7a_200011877368_100000748629 [0,1,0,0,0,1|2,0,0]=4 2606 B14R1.149 C=C(C)COC(C)c1cncc(c1)Br 34a_100012351597_100000748629 [0,1,0,0,0,1|2,0,0]=4 2607 B14R1.149 C=C(C)COC(C)c1cncc(c1)Br 7a_100012351597_100000748629 [0,1,0,0,0,1|2,0,0]=4 2608 B14R1.149 C=C(C)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000748629 [0,1,0,0,0,1|1,0,0]=3 2609 B14R1.149 C=C(C)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000748629 [0,1,0,0,0,1|1,0,0]=3 2610 B14R1.149 C=C(F)COC(C)c1cccc(c1)Br 34a_100000246457_100009893438 [0,1,0,0,0,1|1,0,1]=4 2611 B14R1.149 C=C(F)COC(C)c1cccc(c1)Br 7a_100000246457_100000042424 [0,1,0,0,0,1|1,0,1]=4 2612 B14R1.149 C=C(F)COC(C)c1cccc(c1)C 34a_100000757818_100009893438 [0,1,0,0,0,1|1,0,1]=4 2613 B14R1.149 C=C(F)COC(C)c1cccc(c1)C 7a_100000757818_100000042424 [0,1,0,0,0,1|1,0,1]=4 2614 B14R1.149 C=C(F)COC(C)c1cccc(c1)F 34a_100000744526_100009893438 [0,1,0,0,0,1|1,0,1]=4 2615 B14R1.149 C=C(F)COC(C)c1cccc(c1)F 7a_100000744526_100000042424 [0,1,0,0,0,1|1,0,1]=4 2616 B14R1.149 C=C(F)COC(C)c1cccc(c1)I 34a_100013085317_100009893438 [0,1,0,0,0,1|1,0,1]=4 2617 B14R1.149 C=C(F)COC(C)c1cccc(c1)I 7a_100013085317_100000042424 [0,1,0,0,0,1|1,0,1]=4 2618 B14R1.149 C=C(F)COC(C)c1cccc(c1)N 34a_100011217120_100009893438 [0,1,0,0,0,1|1,0,1]=4 2619 B14R1.149 C=C(F)COC(C)c1cccc(c1)N 7a_100011217120_100000042424 [0,1,0,0,0,1|1,0,1]=4 2620 B14R1.149 C=C(F)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100009893438 [0,1,0,0,0,1|1,0,1]=4 2621 B14R1.149 C=C(F)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000042424 [0,1,0,0,0,1|1,0,1]=4 2622 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Br 269982a_100000219648_100000053229 [0,1,0,0,0,1|2,0,0]=4 2623 B14R1.149 CC(=O)CCN(C)c1cccc(c1)C 269982a_100000219674_100000053229 [0,1,0,0,0,1|2,0,0]=4 2624 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000053229 [0,1,0,0,0,1|2,0,0]=4 2625 B14R1.149 CC(=O)CCN(C)c1cccc(c1)F 269982a_100020633736_100000053229 [0,1,0,0,0,1|2,0,0]=4 2626 B14R1.149 CC(=O)CCN(C)c1cccc(c1)I 269982a_100000221217_100000053229 [0,1,0,0,0,1|2,0,0]=4 2627 B14R1.149 CC(=O)CCN(C)c1cccc(c1)O 269982a_100000756613_100000053229 [0,1,0,0,0,1|2,0,0]=4 2628 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [0,1,0,0,0,1|2,0,0]=4 2629 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [0,1,0,0,0,1|2,0,0]=4 2630 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)Br 4a_100000189765_100000210093 [0,1,0,0,0,1|1,0,1]=4 2631 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)C 4a_100000189765_100000211476 [0,1,0,0,0,1|1,0,1]=4 2632 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)Cl 4a_100000189765_200000210964 [0,1,0,0,0,1|1,0,1]=4 2633 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)F 4a_100000189765_100000187083 [0,1,0,0,0,1|1,0,1]=4 2634 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)I 4a_100000189765_100011356966 [0,1,0,0,0,1|1,0,1]=4 2635 B14R1.149 CC(=O)NN=C(C)c1cccc(c1)O 4a_100000189765_100000211620 [0,1,0,0,0,1|1,0,1]=4 2636 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Br 269982a_100000219648_100000076356 [0,1,0,0,0,1|1,0,0]=3 2637 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Br 34a_100000219648_100009813279 [0,1,0,0,0,1|1,0,0]=3 2638 B14R1.149 CC(=O)OCN(C)c1cccc(c1)C 269982a_100000219674_100000076356 [0,1,0,0,0,1|1,0,0]=3 2639 B14R1.149 CC(=O)OCN(C)c1cccc(c1)C 34a_100000219674_100009813279 [0,1,0,0,0,1|1,0,0]=3 2640 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Cl 269982a_100000220044_100000076356 [0,1,0,0,0,1|1,0,0]=3 2641 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Cl 34a_100000220044_100009813279 [0,1,0,0,0,1|1,0,0]=3 2642 B14R1.149 CC(=O)OCN(C)c1cccc(c1)F 269982a_100020633736_100000076356 [0,1,0,0,0,1|1,0,0]=3 2643 B14R1.149 CC(=O)OCN(C)c1cccc(c1)F 34a_100020633736_100009813279 [0,1,0,0,0,1|1,0,0]=3 2644 B14R1.149 CC(=O)OCN(C)c1cccc(c1)I 269982a_100000221217_100000076356 [0,1,0,0,0,1|1,0,0]=3 2645 B14R1.149 CC(=O)OCN(C)c1cccc(c1)I 34a_100000221217_100009813279 [0,1,0,0,0,1|1,0,0]=3 2646 B14R1.149 CC(=O)OCN(C)c1cccc(c1)O 269982a_100000756613_100000076356 [0,1,0,0,0,1|1,0,0]=3 2647 B14R1.149 CC(=O)OCN(C)c1cccc(c1)O 34a_100000756613_100009813279 [0,1,0,0,0,1|1,0,0]=3 2648 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 34a_100000246457_100000210624 [0,1,0,0,0,1|1,0,1]=4 2649 B14R1.149 CC(C)COC(C)c1cccc(c1)Br 7a_100000246457_100000210760 [0,1,0,0,0,1|1,0,1]=4 2650 B14R1.149 CC(C)COC(C)c1cccc(c1)F 34a_100000744526_100000210624 [0,1,0,0,0,1|1,0,1]=4 2651 B14R1.149 CC(C)COC(C)c1cccc(c1)F 7a_100000744526_100000210760 [0,1,0,0,0,1|1,0,1]=4 2652 B14R1.149 CC(C)COC(C)c1cccc(c1)I 34a_100013085317_100000210624 [0,1,0,0,0,1|1,0,1]=4 2653 B14R1.149 CC(C)COC(C)c1cccc(c1)I 7a_100013085317_100000210760 [0,1,0,0,0,1|1,0,1]=4 2654 B14R1.149 CC(C)COC(C)c1cccc(c1)N 34a_100011217120_100000210624 [0,1,0,0,0,1|1,0,1]=4 2655 B14R1.149 CC(C)COC(C)c1cccc(c1)N 7a_100011217120_100000210760 [0,1,0,0,0,1|1,0,1]=4 2656 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210624 [0,1,0,0,0,1|1,0,1]=4 2657 B14R1.149 CC(C)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210760 [0,1,0,0,0,1|1,0,1]=4 2658 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Br 2230a_100020642005_100000747473 [0,1,0,0,0,1|2,0,0]=4 2659 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 2230a_100102723534_100000747473 [0,1,0,0,0,1|2,0,0]=4 2660 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 34a_100102723534_100000187820 [0,1,0,0,0,1|2,0,0]=4 2661 B14R1.149 CC(NCC(=O)N)c1cccc(c1)O 2230a_100000740644_100000747473 [0,1,0,0,0,1|2,0,0]=4 2662 B14R1.149 CC(NCC(=O)[O-])c1cccc(c1)Cl 34a_100102723534_100020667443 [0,1,0,0,0,1|2,0,0]=4 2663 B14R1.149 CC(O)COC(C)c1cccc(c1)Br 34a_100000246457_100011218427 [0,1,0,0,0,1|0,0,2]=4 2664 B14R1.149 CC(O)COC(C)c1cccc(c1)Br 7a_100000246457_100011218427 [0,1,0,0,0,1|0,0,2]=4 2665 B14R1.149 CC(O)COC(C)c1cccc(c1)F 34a_100000744526_100011218427 [0,1,0,0,0,1|0,0,2]=4 2666 B14R1.149 CC(O)COC(C)c1cccc(c1)F 7a_100000744526_100011218427 [0,1,0,0,0,1|0,0,2]=4 2667 B14R1.149 CC(O)COC(C)c1cccc(c1)I 34a_100013085317_100011218427 [0,1,0,0,0,1|0,0,2]=4 2668 B14R1.149 CC(O)COC(C)c1cccc(c1)I 7a_100013085317_100011218427 [0,1,0,0,0,1|0,0,2]=4 2669 B14R1.149 CC(O)COC(C)c1cccc(c1)N 34a_100011217120_100011218427 [0,1,0,0,0,1|0,0,2]=4 2670 B14R1.149 CC(O)COC(C)c1cccc(c1)N 7a_100011217120_100011218427 [0,1,0,0,0,1|0,0,2]=4 2671 B14R1.149 CC(O)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218427 [0,1,0,0,0,1|0,0,2]=4 2672 B14R1.149 CC(O)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100011218427 [0,1,0,0,0,1|0,0,2]=4 2673 B14R1.149 CC(OCC(=O)N)c1cc(ccn1)Cl 7a_100000144657_100000187820 [0,1,0,0,0,1|2,0,0]=4 2674 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 34a_100000246457_100000187820 [0,1,0,0,0,1|1,0,0]=3 2675 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 7a_100000246457_100000187820 [0,1,0,0,0,1|1,0,0]=3 2676 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 34a_100000744526_100000187820 [0,1,0,0,0,1|1,0,0]=3 2677 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 7a_100000744526_100000187820 [0,1,0,0,0,1|1,0,0]=3 2678 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 34a_100013085317_100000187820 [0,1,0,0,0,1|1,0,0]=3 2679 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 7a_100013085317_100000187820 [0,1,0,0,0,1|1,0,0]=3 2680 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 34a_100011217120_100000187820 [0,1,0,0,0,1|1,0,0]=3 2681 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 7a_100011217120_100000187820 [0,1,0,0,0,1|1,0,0]=3 2682 B14R1.149 CC(OCC(=O)N)c1cccc(n1)Br 7a_100009820884_100000187820 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.149 CC(OCC(=O)N)c1cncc(c1)Br 34a_100012351597_100000187820 [0,1,0,0,0,1|2,0,0]=4 2684 B14R1.149 CC(OCC(=O)N)c1cncc(c1)Br 7a_100012351597_100000187820 [0,1,0,0,0,1|2,0,0]=4 2685 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)Br 34a_100000246457_100020667443 [0,1,0,0,0,1|1,0,0]=3 2686 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)F 34a_100000744526_100020667443 [0,1,0,0,0,1|1,0,0]=3 2687 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)I 34a_100013085317_100020667443 [0,1,0,0,0,1|1,0,0]=3 2688 B14R1.149 CC(OCC(=O)[O-])c1cccc(c1)N 34a_100011217120_100020667443 [0,1,0,0,0,1|1,0,0]=3 2689 B14R1.149 CC(OCC(=O)[O-])c1cncc(c1)Br 34a_100012351597_100020667443 [0,1,0,0,0,1|2,0,0]=4 2690 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)Br 34a_100000246457_100009817552 [0,1,0,0,0,1|0,0,2]=4 2691 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)Br 7a_100000246457_100009817552 [0,1,0,0,0,1|0,0,2]=4 2692 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)F 34a_100000744526_100009817552 [0,1,0,0,0,1|0,0,2]=4 2693 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)F 7a_100000744526_100009817552 [0,1,0,0,0,1|0,0,2]=4 2694 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)I 34a_100013085317_100009817552 [0,1,0,0,0,1|0,0,2]=4 2695 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)I 7a_100013085317_100009817552 [0,1,0,0,0,1|0,0,2]=4 2696 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)N 34a_100011217120_100009817552 [0,1,0,0,0,1|0,0,2]=4 2697 B14R1.149 CC(OC[C@@H](C)O)c1cccc(c1)N 7a_100011217120_100009817552 [0,1,0,0,0,1|0,0,2]=4 2698 B14R1.149 CC(OC[N+](=O)[O-])c1cccc(c1)Br 34a_100000246457_100000761209 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.149 CC(OC[N+](=O)[O-])c1cccc(c1)F 34a_100000744526_100000761209 [0,1,0,0,0,1|2,0,0]=4 2700 B14R1.149 CC(OC[N+](=O)[O-])c1cccc(c1)I 34a_100013085317_100000761209 [0,1,0,0,0,1|2,0,0]=4 2701 B14R1.149 CC(OC[N+](=O)[O-])c1cccc(c1)N 34a_100011217120_100000761209 [0,1,0,0,0,1|2,0,0]=4 2702 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 2230a_100015193778_100000747473 [0,1,0,0,0,1|2,0,0]=4 2703 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 34a_100015193778_100000187820 [0,1,0,0,0,1|2,0,0]=4 2704 B14R1.149 C[C@@H](NCC(=O)[O-])c1cccc(c1)F 34a_100015193778_100020667443 [0,1,0,0,0,1|2,0,0]=4 2705 B14R1.149 C[C@@H](O)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100009817552 [0,1,0,0,0,1|0,0,2]=4 2706 B14R1.149 C[C@@H](O)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100009817552 [0,1,0,0,0,1|0,0,2]=4 2707 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 34a_100000747380_100000187820 [0,1,0,0,0,1|1,0,0]=3 2708 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 7a_100000747380_100000187820 [0,1,0,0,0,1|1,0,0]=3 2709 B14R1.149 C[C@@H](OCC(=O)[O-])c1cccc(c1)Cl 34a_100000747380_100020667443 [0,1,0,0,0,1|1,0,0]=3 2710 B14R1.149 C[C@@H](OC[N+](=O)[O-])c1cccc(c1)Cl 34a_100000747380_100000761209 [0,1,0,0,0,1|2,0,0]=4 2711 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 34a_100000757818_100000187820 [0,1,0,0,0,1|1,0,0]=3 2712 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 7a_100000757818_100000187820 [0,1,0,0,0,1|1,0,0]=3 2713 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)[O-] 34a_100000757818_100020667443 [0,1,0,0,0,1|1,0,0]=3 2714 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 34a_100000757818_100000210624 [0,1,0,0,0,1|1,0,1]=4 2715 B14R1.149 Cc1cccc(c1)C(C)OCC(C)C 7a_100000757818_100000210760 [0,1,0,0,0,1|1,0,1]=4 2716 B14R1.149 Cc1cccc(c1)C(C)OCC(C)O 34a_100000757818_100011218427 [0,1,0,0,0,1|0,0,2]=4 2717 B14R1.149 Cc1cccc(c1)C(C)OCC(C)O 7a_100000757818_100011218427 [0,1,0,0,0,1|0,0,2]=4 2718 B14R1.149 Cc1cccc(c1)C(C)OC[C@@H](C)O 34a_100000757818_100009817552 [0,1,0,0,0,1|0,0,2]=4 2719 B14R1.149 Cc1cccc(c1)C(C)OC[C@@H](C)O 7a_100000757818_100009817552 [0,1,0,0,0,1|0,0,2]=4 2720 B14R1.149 Cc1cccc(c1)C(C)OC[N+](=O)[O-] 34a_100000757818_100000761209 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 2230a_100000698126_100000747473 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 34a_100000698126_100000187820 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)[O-] 34a_100000698126_100020667443 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.149 Cc1cccc(n1)C(C)OCC(=O)N 34a_200011877368_100000187820 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.149 Cc1cccc(n1)C(C)OCC(=O)N 7a_200011877368_100000187820 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.149 Cc1cccc(n1)C(C)OCC(=O)[O-] 34a_200011877368_100020667443 [0,1,0,0,0,1|2,0,0]=4 2727 B14R1.160 C=C(C)CNC(C)c1ccccc1Br 2230a_100000181357_100000748629 [0,1,0,0,0,1|2,0,0]=4 2728 B14R1.160 C=C(C)CNC(C)c1ccccc1C 2230a_100000181355_100000748629 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.160 C=C(C)CNC(C)c1ccccc1C 34a_100000181355_100000748629 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.160 C=C(C)CNC(C)c1ccccc1Cl 2230a_100000174978_100000748629 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.160 C=C(C)CNC(C)c1ccccc1Cl 34a_100000174978_100000748629 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.160 C=C(C)CNC(C)c1ccccc1F 2230a_100000181408_100000748629 [0,1,0,0,0,1|2,0,0]=4 2733 B14R1.160 C=C(C)CNC(C)c1ccccc1F 34a_100000181408_100000748629 [0,1,0,0,0,1|2,0,0]=4 2734 B14R1.160 C=C(C)CN[C@H](C)c1ccccc1O 2230a_100025703389_100000748629 [0,1,0,0,0,1|2,0,0]=4 2735 B14R1.160 C=C(C)COC(C)c1ccccc1Br 34a_100000702211_100000748629 [0,1,0,0,0,1|1,0,0]=3 2736 B14R1.160 C=C(C)COC(C)c1ccccc1Br 7a_100000702211_100000748629 [0,1,0,0,0,1|1,0,0]=3 2737 B14R1.160 C=C(C)COC(C)c1ccccc1C 34a_100000742021_100000748629 [0,1,0,0,0,1|1,0,0]=3 2738 B14R1.160 C=C(C)COC(C)c1ccccc1C 7a_100000742021_100000748629 [0,1,0,0,0,1|1,0,0]=3 2739 B14R1.160 C=C(C)COC(C)c1ccccc1Cl 34a_100000740796_100000748629 [0,1,0,0,0,1|1,0,0]=3 2740 B14R1.160 C=C(C)COC(C)c1ccccc1Cl 7a_100000740796_100000748629 [0,1,0,0,0,1|1,0,0]=3 2741 B14R1.160 C=C(C)COC(C)c1ccccc1F 34a_100000210245_200000741388 [0,1,0,0,0,1|1,0,0]=3 2742 B14R1.160 C=C(C)COC(C)c1ccccc1F 34a_100000697922_100000748629 [0,1,0,0,0,1|1,0,0]=3 2743 B14R1.160 C=C(C)COC(C)c1ccccc1F 7a_100000697922_100000748629 [0,1,0,0,0,1|1,0,0]=3 2744 B14R1.160 C=C(C)COC(C)c1ccccc1N 7a_100011405641_100000748629 [0,1,0,0,0,1|1,0,0]=3 2745 B14R1.160 C=C(C)COC(C)c1cccnc1Cl 34a_100009865335_100000748629 [0,1,0,0,0,1|2,0,0]=4 2746 B14R1.160 C=C(C)COC(C)c1cccnc1Cl 7a_100009865335_100000748629 [0,1,0,0,0,1|2,0,0]=4 2747 B14R1.160 C=C(C)COC(C)c1ccncc1F 34a_100012180158_100000748629 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.160 C=C(C)CO[C@@H](C)c1ncccc1Br 7a_100013325542_100000748629 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.160 C=C(C)CSC(C)c1ccccc1Cl 62a_100000181259_100000211660 [0,1,0,0,0,1|1,1,0]=4 2750 B14R1.160 C=C(C)CSC(C)c1ccccc1Cl 62a_100000748629_100000181259 [0,1,0,0,0,1|1,1,0]=4 2751 B14R1.160 C=C(C)CSC(C)c1ccccc1F 62a_100000748629_200000741388 [0,1,0,0,0,1|1,1,0]=4 2752 B14R1.160 C=C(C)CSC(C)c1ccccc1F 62a_200000741388_100000211660 [0,1,0,0,0,1|1,1,0]=4 2753 B14R1.160 C=C(F)COC(C)c1ccccc1Br 34a_100000702211_100009893438 [0,1,0,0,0,1|1,0,1]=4 2754 B14R1.160 C=C(F)COC(C)c1ccccc1Br 7a_100000702211_100000042424 [0,1,0,0,0,1|1,0,1]=4 2755 B14R1.160 C=C(F)COC(C)c1ccccc1C 34a_100000742021_100009893438 [0,1,0,0,0,1|1,0,1]=4 2756 B14R1.160 C=C(F)COC(C)c1ccccc1C 7a_100000742021_100000042424 [0,1,0,0,0,1|1,0,1]=4 2757 B14R1.160 C=C(F)COC(C)c1ccccc1Cl 34a_100000740796_100009893438 [0,1,0,0,0,1|1,0,1]=4 2758 B14R1.160 C=C(F)COC(C)c1ccccc1Cl 7a_100000740796_100000042424 [0,1,0,0,0,1|1,0,1]=4 2759 B14R1.160 C=C(F)COC(C)c1ccccc1F 34a_100000697922_100009893438 [0,1,0,0,0,1|1,0,1]=4 2760 B14R1.160 C=C(F)COC(C)c1ccccc1F 34a_200010262243_200000741388 [0,1,0,0,0,1|1,0,1]=4 2761 B14R1.160 C=C(F)COC(C)c1ccccc1F 7a_100000697922_100000042424 [0,1,0,0,0,1|1,0,1]=4 2762 B14R1.160 C=C(F)COC(C)c1ccccc1N 7a_100011405641_100000042424 [0,1,0,0,0,1|1,0,1]=4 2763 B14R1.160 CC(=O)CCN(C)c1ccccc1Br 269982a_100020606079_100000053229 [0,1,0,0,0,1|2,0,0]=4 2764 B14R1.160 CC(=O)CCN(C)c1ccccc1C 269982a_100000219699_100000053229 [0,1,0,0,0,1|2,0,0]=4 2765 B14R1.160 CC(=O)CCN(C)c1ccccc1Cl 269982a_100000219374_100000053229 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.160 CC(=O)CCN(C)c1ccccc1F 269982a_100000220357_100000053229 [0,1,0,0,0,1|2,0,0]=4 2767 B14R1.160 CC(=O)CCN(C)c1ccccc1O 269982a_100000033821_100000053229 [0,1,0,0,0,1|2,0,0]=4 2768 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [0,1,0,0,0,1|1,0,1]=4 2769 B14R1.160 CC(=O)COC(C)c1ccccc1F 34a_100000211253_200000741388 [0,1,0,0,0,1|0,0,0]=2 2770 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100015343762 [0,1,0,0,0,1|2,0,0]=4 2771 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 527a_100011236429_100103153847 [0,1,0,0,0,1|2,0,0]=4 2772 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100015343762 [0,1,0,0,0,1|2,0,0]=4 2773 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100103153847 [0,1,0,0,0,1|2,0,0]=4 2774 B14R1.160 CC(=O)NN=C(C)c1ccccc1Br 4a_100000189765_100000187085 [0,1,0,0,0,1|1,0,1]=4 2775 B14R1.160 CC(=O)NN=C(C)c1ccccc1C 4a_100000189765_100000211656 [0,1,0,0,0,1|1,0,1]=4 2776 B14R1.160 CC(=O)NN=C(C)c1ccccc1Cl 4a_100000189765_100000210134 [0,1,0,0,0,1|1,0,1]=4 2777 B14R1.160 CC(=O)NN=C(C)c1ccccc1F 4a_100000189765_100000210632 [0,1,0,0,0,1|1,0,1]=4 2778 B14R1.160 CC(=O)NN=C(C)c1ccccc1I 4a_100000189765_100000751169 [0,1,0,0,0,1|1,0,1]=4 2779 B14R1.160 CC(=O)NN=C(C)c1ccccc1O 4a_100000189765_100000188907 [0,1,0,0,0,1|1,0,1]=4 2780 B14R1.160 CC(=O)OCN(C)c1ccccc1Br 269982a_100020606079_100000076356 [0,1,0,0,0,1|1,0,0]=3 2781 B14R1.160 CC(=O)OCN(C)c1ccccc1Br 34a_100020606079_100009813279 [0,1,0,0,0,1|1,0,0]=3 2782 B14R1.160 CC(=O)OCN(C)c1ccccc1C 269982a_100000219699_100000076356 [0,1,0,0,0,1|1,0,0]=3 2783 B14R1.160 CC(=O)OCN(C)c1ccccc1C 34a_100000219699_100009813279 [0,1,0,0,0,1|1,0,0]=3 2784 B14R1.160 CC(=O)OCN(C)c1ccccc1Cl 269982a_100000219374_100000076356 [0,1,0,0,0,1|1,0,0]=3 2785 B14R1.160 CC(=O)OCN(C)c1ccccc1Cl 34a_100000219374_100009813279 [0,1,0,0,0,1|1,0,0]=3 2786 B14R1.160 CC(=O)OCN(C)c1ccccc1F 269982a_100000220357_100000076356 [0,1,0,0,0,1|1,0,0]=3 2787 B14R1.160 CC(=O)OCN(C)c1ccccc1F 34a_100000220357_100009813279 [0,1,0,0,0,1|1,0,0]=3 2788 B14R1.160 CC(=O)OCN(C)c1ccccc1O 269982a_100000033821_100000076356 [0,1,0,0,0,1|1,0,0]=3 2789 B14R1.160 CC(Br)COC(C)c1ccccc1F 34a_100012180447_200000741388 [0,1,0,0,0,1|1,0,1]=4 2790 B14R1.160 CC(C)COC(C)c1ccccc1Br 34a_100000702211_100000210624 [0,1,0,0,0,1|1,0,1]=4 2791 B14R1.160 CC(C)COC(C)c1ccccc1Br 7a_100000702211_100000210760 [0,1,0,0,0,1|1,0,1]=4 2792 B14R1.160 CC(C)COC(C)c1ccccc1Cl 34a_100000740796_100000210624 [0,1,0,0,0,1|1,0,1]=4 2793 B14R1.160 CC(C)COC(C)c1ccccc1Cl 7a_100000740796_100000210760 [0,1,0,0,0,1|1,0,1]=4 2794 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000210257_200000741388 [0,1,0,0,0,1|1,0,1]=4 2795 B14R1.160 CC(C)COC(C)c1ccccc1F 34a_100000697922_100000210624 [0,1,0,0,0,1|1,0,1]=4 2796 B14R1.160 CC(C)COC(C)c1ccccc1F 7a_100000697922_100000210760 [0,1,0,0,0,1|1,0,1]=4 2797 B14R1.160 CC(C)COC(C)c1ccccc1N 7a_100011405641_100000210760 [0,1,0,0,0,1|1,0,1]=4 2798 B14R1.160 CC(F)COC(C)c1ccccc1F 34a_100015925927_200000741388 [0,1,0,0,0,1|1,0,1]=4 2799 B14R1.160 CC(NCC(=O)N)c1ccccc1Br 2230a_100000181357_100000747473 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000174978_100000747473 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000711301_100000181259 [0,1,0,0,0,1|2,0,0]=4 2802 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 34a_100000174978_100000187820 [0,1,0,0,0,1|2,0,0]=4 2803 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000181408_100000747473 [0,1,0,0,0,1|2,0,0]=4 2804 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000711301_200000741388 [0,1,0,0,0,1|2,0,0]=4 2805 B14R1.160 CC(NCC(=O)N)c1ccccc1F 34a_100000181408_100000187820 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.160 CC(NCC(=O)O)c1ccccc1Cl 269956a_100016091260_100000181259 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.160 CC(NCC(=O)O)c1ccccc1F 269956a_100016091260_200000741388 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.160 CC(NCC(=O)[O-])c1ccccc1Cl 34a_100000174978_100020667443 [0,1,0,0,0,1|2,0,0]=4 2809 B14R1.160 CC(NCC(=O)[O-])c1ccccc1F 34a_100000181408_100020667443 [0,1,0,0,0,1|2,0,0]=4 2810 B14R1.160 CC(O)COC(C)c1ccccc1Br 34a_100000702211_100011218427 [0,1,0,0,0,1|0,0,2]=4 2811 B14R1.160 CC(O)COC(C)c1ccccc1Br 7a_100000702211_100011218427 [0,1,0,0,0,1|0,0,2]=4 2812 B14R1.160 CC(O)COC(C)c1ccccc1Cl 34a_100000740796_100011218427 [0,1,0,0,0,1|0,0,2]=4 2813 B14R1.160 CC(O)COC(C)c1ccccc1Cl 7a_100000740796_100011218427 [0,1,0,0,0,1|0,0,2]=4 2814 B14R1.160 CC(O)COC(C)c1ccccc1F 34a_100000697922_100011218427 [0,1,0,0,0,1|0,0,2]=4 2815 B14R1.160 CC(O)COC(C)c1ccccc1F 7a_100000697922_100011218427 [0,1,0,0,0,1|0,0,2]=4 2816 B14R1.160 CC(O)COC(C)c1ccccc1N 7a_100011405641_100011218427 [0,1,0,0,0,1|0,0,2]=4 2817 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 34a_100000702211_100000187820 [0,1,0,0,0,1|1,0,0]=3 2818 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 7a_100000702211_100000187820 [0,1,0,0,0,1|1,0,0]=3 2819 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 34a_100000740796_100000187820 [0,1,0,0,0,1|1,0,0]=3 2820 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 7a_100000740796_100000187820 [0,1,0,0,0,1|1,0,0]=3 2821 B14R1.160 CC(OCC(=O)N)c1ccccc1F 34a_100000697922_100000187820 [0,1,0,0,0,1|1,0,0]=3 2822 B14R1.160 CC(OCC(=O)N)c1ccccc1F 7a_100000697922_100000187820 [0,1,0,0,0,1|1,0,0]=3 2823 B14R1.160 CC(OCC(=O)N)c1ccccc1N 7a_100011405641_100000187820 [0,1,0,0,0,1|1,0,0]=3 2824 B14R1.160 CC(OCC(=O)N)c1cccnc1Cl 34a_100009865335_100000187820 [0,1,0,0,0,1|2,0,0]=4 2825 B14R1.160 CC(OCC(=O)N)c1cccnc1Cl 7a_100009865335_100000187820 [0,1,0,0,0,1|2,0,0]=4 2826 B14R1.160 CC(OCC(=O)N)c1ccncc1F 34a_100012180158_100000187820 [0,1,0,0,0,1|2,0,0]=4 2827 B14R1.160 CC(OCC(=O)[O-])c1ccccc1Br 34a_100000702211_100020667443 [0,1,0,0,0,1|1,0,0]=3 2828 B14R1.160 CC(OCC(=O)[O-])c1ccccc1Cl 34a_100000740796_100020667443 [0,1,0,0,0,1|1,0,0]=3 2829 B14R1.160 CC(OCC(=O)[O-])c1ccccc1F 34a_100000697922_100020667443 [0,1,0,0,0,1|1,0,0]=3 2830 B14R1.160 CC(OCC(=O)[O-])c1cccnc1Cl 34a_100009865335_100020667443 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.160 CC(OCC(=O)[O-])c1ccncc1F 34a_100012180158_100020667443 [0,1,0,0,0,1|2,0,0]=4 2832 B14R1.160 CC(OC[C@@H](C)Cl)c1ccccc1F 34a_100016084084_200000741388 [0,1,0,0,0,1|1,0,1]=4 2833 B14R1.160 CC(OC[C@@H](C)N)c1ccccc1F 34a_100000737577_200000741388 [0,1,0,0,0,1|1,0,1]=4 2834 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Br 34a_100000702211_100009817552 [0,1,0,0,0,1|0,0,2]=4 2835 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Br 7a_100000702211_100009817552 [0,1,0,0,0,1|0,0,2]=4 2836 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Cl 34a_100000740796_100009817552 [0,1,0,0,0,1|0,0,2]=4 2837 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1Cl 7a_100000740796_100009817552 [0,1,0,0,0,1|0,0,2]=4 2838 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1F 34a_100000697922_100009817552 [0,1,0,0,0,1|0,0,2]=4 2839 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1F 7a_100000697922_100009817552 [0,1,0,0,0,1|0,0,2]=4 2840 B14R1.160 CC(OC[C@@H](C)O)c1ccccc1N 7a_100011405641_100009817552 [0,1,0,0,0,1|0,0,2]=4 2841 B14R1.160 CC(OC[N+](=O)[O-])c1ccccc1Br 34a_100000702211_100000761209 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.160 CC(OC[N+](=O)[O-])c1ccccc1Cl 34a_100000740796_100000761209 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.160 CC(OC[N+](=O)[O-])c1ccccc1F 34a_100000697922_100000761209 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000181259_100000747473 [0,1,0,0,0,1|1,1,0]=4 2845 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000747473_100000181259 [0,1,0,0,0,1|1,1,0]=4 2846 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_100000747473_200000741388 [0,1,0,0,0,1|1,1,0]=4 2847 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_200000741388_100000747473 [0,1,0,0,0,1|1,1,0]=4 2848 B14R1.160 CC(SCC(=O)[O-])c1ccccc1Cl 62a_100000181259_100020667443 [0,1,0,0,0,1|1,1,0]=4 2849 B14R1.160 CC(SCC(=O)[O-])c1ccccc1Cl 62a_100020667443_100000181259 [0,1,0,0,0,1|1,1,0]=4 2850 B14R1.160 CC(SCC(=O)[O-])c1ccccc1F 62a_100020667443_200000741388 [0,1,0,0,0,1|1,1,0]=4 2851 B14R1.160 CC(SCC(=O)[O-])c1ccccc1F 62a_200000741388_100020667443 [0,1,0,0,0,1|1,1,0]=4 2852 B14R1.160 C[C@@H](NCC(=O)N)c1ccccc1O 2230a_100025703389_100000747473 [0,1,0,0,0,1|2,0,0]=4 2853 B14R1.160 C[C@H](OCC(=O)N)c1ncccc1Br 7a_100013325542_100000187820 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 2230a_100000181355_100000747473 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 34a_100000181355_100000187820 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.160 Cc1ccccc1C(C)NCC(=O)[O-] 34a_100000181355_100020667443 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 34a_100000742021_100000187820 [0,1,0,0,0,1|1,0,0]=3 2858 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 7a_100000742021_100000187820 [0,1,0,0,0,1|1,0,0]=3 2859 B14R1.160 Cc1ccccc1C(C)OCC(=O)[O-] 34a_100000742021_100020667443 [0,1,0,0,0,1|1,0,0]=3 2860 B14R1.160 Cc1ccccc1C(C)OCC(C)C 34a_100000742021_100000210624 [0,1,0,0,0,1|1,0,1]=4 2861 B14R1.160 Cc1ccccc1C(C)OCC(C)C 7a_100000742021_100000210760 [0,1,0,0,0,1|1,0,1]=4 2862 B14R1.160 Cc1ccccc1C(C)OCC(C)O 34a_100000742021_100011218427 [0,1,0,0,0,1|0,0,2]=4 2863 B14R1.160 Cc1ccccc1C(C)OCC(C)O 7a_100000742021_100011218427 [0,1,0,0,0,1|0,0,2]=4 2864 B14R1.160 Cc1ccccc1C(C)OC[C@@H](C)O 34a_100000742021_100009817552 [0,1,0,0,0,1|0,0,2]=4 2865 B14R1.160 Cc1ccccc1C(C)OC[C@@H](C)O 7a_100000742021_100009817552 [0,1,0,0,0,1|0,0,2]=4 2866 B14R1.160 Cc1ccccc1C(C)OC[N+](=O)[O-] 34a_100000742021_100000761209 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.163 C#CC(C)OCC(C)c1ccccc1 34a_100011215166_200000035995 [0,1,0,0,0,1|1,0,1]=4 2868 B14R1.163 C#C[C@@H](C)OCC(C)c1ccccc1 34a_100009815206_100000756946 [0,1,0,0,0,1|1,0,1]=4 2869 B14R1.163 C#C[C@@H](C)OCC(C)c1ccccc1 7a_100009815206_100000756946 [0,1,0,0,0,1|1,0,1]=4 2870 B14R1.163 C=C(C#N)CO[C@H](C)c1ccccc1 34a_100000761318_100000694840 [0,1,0,0,0,1|1,0,1]=4 2871 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000185746 [0,1,0,0,0,1|1,0,1]=4 2872 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 240690a_100000701038_200121576911 [0,1,0,0,0,1|1,0,1]=4 2873 B14R1.163 C=CC(C)COC(C)c1ccccc1 34a_100011215527_100000211855 [0,1,0,0,0,1|1,0,1]=4 2874 B14R1.163 C=CC(C)COC(C)c1ccccc1 7a_100011215527_100000230085 [0,1,0,0,0,1|1,0,1]=4 2875 B14R1.163 C=CC(C)OCC(C)c1ccccc1 34a_100000695699_100000756946 [0,1,0,0,0,1|1,0,1]=4 2876 B14R1.163 CC(C#N)OCC(C)c1ccccc1 34a_100011218135_100000756946 [0,1,0,0,0,1|1,0,1]=4 2877 B14R1.163 CC(C#N)OCC(C)c1ccccc1 7a_100011215166_100000703298 [0,1,0,0,0,1|1,0,1]=4 2878 B14R1.163 CC(CF)OCC(C)c1ccccc1 34a_100016041109_100000756946 [0,1,0,0,0,1|1,0,1]=4 2879 B14R1.163 CC(CF)OCC(C)c1ccccc1 7a_100016041109_100000756946 [0,1,0,0,0,1|1,0,1]=4 2880 B14R1.163 CC(CN)COC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,0,1|1,0,1]=4 2881 B14R1.163 CC(CN)OCC(C)c1ccccc1 34a_100000210904_100000756946 [0,1,0,0,0,1|1,0,1]=4 2882 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [0,1,0,0,0,1|1,0,0]=3 2883 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [0,1,0,0,0,1|1,0,0]=3 2884 B14R1.163 CC(CO)OCC(C)c1ccccc1 34a_100011215166_100012180447 [0,1,0,0,0,1|0,0,2]=4 2885 B14R1.163 CC(CO)OCC(C)c1ccccc1 7a_100011215166_100012180447 [0,1,0,0,0,1|0,0,2]=4 2886 B14R1.163 CC(OCC(Cl)CCl)c1ccccc1 34a_100000033668_100000211855 [0,1,0,0,0,1|1,0,1]=4 2887 B14R1.163 CC(OC[C@H](F)CN)c1ccccc1 34a_100015665980_100000211855 [0,1,0,0,0,1|1,0,1]=4 2888 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,1,0,0,0,1|2,0,0]=4 2889 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [0,1,0,0,0,1|1,0,1]=4 2890 B14R1.163 CCC(=O)COC(C)c1ccccc1 34a_100000725409_100000211855 [0,1,0,0,0,1|0,0,0]=2 2891 B14R1.163 CCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747405 [0,1,0,0,0,1|0,0,0]=2 2892 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747405 [0,1,0,0,0,1|0,1,0]=3 2893 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000747405_100000230085 [0,1,0,0,0,1|0,1,0]=3 2894 B14R1.163 CCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000210414 [0,1,0,0,0,1|1,0,0]=3 2895 B14R1.163 CCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000210414 [0,1,0,0,0,1|1,0,0]=3 2896 B14R1.163 CCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000210414 [0,1,0,0,0,1|1,0,0]=3 2897 B14R1.163 CCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000210414 [0,1,0,0,0,1|1,0,0]=3 2898 B14R1.163 CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210414 [0,1,0,0,0,1|2,0,0]=4 2899 B14R1.163 CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210414 [0,1,0,0,0,1|2,0,0]=4 2900 B14R1.163 CCC(=O)NN=C(C)c1ccccc1 4a_100000183195_100000185851 [0,1,0,0,0,1|1,0,1]=4 2901 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,1,0,0,0,1|1,0,1]=4 2902 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,1,0,0,0,1|1,0,1]=4 2903 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,1,0,0,0,1|1,0,1]=4 2904 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,1,0,0,0,1|1,0,1]=4 2905 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,1,0,0,0,1|1,0,1]=4 2906 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [0,1,0,0,0,1|0,0,2]=4 2907 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [0,1,0,0,0,1|0,0,2]=4 2908 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,1,0,0,0,1|1,0,1]=4 2909 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,1,0,0,0,1|1,0,1]=4 2910 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,1,0,0,0,1|1,0,1]=4 2911 B14R1.163 CNC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000737683 [0,1,0,0,0,1|2,0,0]=4 2912 B14R1.163 CNC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000737683 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.163 CNC(=O)CCN(C)c1ccccc1 34a_100000210012_100012179268 [0,1,0,0,0,1|2,0,0]=4 2914 B14R1.163 CNC(=O)CNC(C)c1ccccc1 2230a_100000693194_100000230085 [0,1,0,0,0,1|1,0,0]=3 2915 B14R1.163 CNC(=O)CNC(C)c1ccccc1 269862a_100000693194_100000185851 [0,1,0,0,0,1|1,0,0]=3 2916 B14R1.163 CNC(=O)CNC(C)c1ccccn1 2230a_100000181244_100000183359 [0,1,0,0,0,1|2,0,0]=4 2917 B14R1.163 CNC(=O)CNC(C)c1ccccn1 269862a_100000693194_100000210467 [0,1,0,0,0,1|2,0,0]=4 2918 B14R1.163 CNC(=O)CNC(C)c1cccnc1 2230a_100000195435_100000183359 [0,1,0,0,0,1|2,0,0]=4 2919 B14R1.163 CNC(=O)CNC(C)c1cccnc1 269862a_100000693194_100000210468 [0,1,0,0,0,1|2,0,0]=4 2920 B14R1.163 CNC(=O)CNC(C)c1ccncc1 2230a_100000181269_100000183359 [0,1,0,0,0,1|2,0,0]=4 2921 B14R1.163 CNC(=O)CNC(C)c1ccncc1 269862a_100000693194_100000185792 [0,1,0,0,0,1|2,0,0]=4 2922 B14R1.163 CNC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000183359 [0,1,0,0,0,1|1,0,0]=3 2923 B14R1.163 CNC(=O)COC(C)c1ccccc1 34a_100000750040_100000211855 [0,1,0,0,0,1|0,0,0]=2 2924 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000183359 [0,1,0,0,0,1|0,0,0]=2 2925 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000183359 [0,1,0,0,0,1|0,0,0]=2 2926 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000183359_100000230085 [0,1,0,0,0,1|0,1,0]=3 2927 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000230085_100000183359 [0,1,0,0,0,1|0,1,0]=3 2928 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100000701038_106832991635 [0,1,0,0,0,1|1,0,0]=3 2929 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100102657272_100000701038 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100102657272 [0,1,0,0,0,1|1,0,0]=3 2931 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100102657272_100000701038 [0,1,0,0,0,1|1,0,0]=3 2932 B14R1.163 CNC(=O)NCC(C)c1ccccc1 512a_106832991638_100000701038 [0,1,0,0,0,1|1,0,0]=3 2933 B14R1.163 CNC(=O)NCC(O)c1ccccc1 2708a_100102657272_100000210709 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100102657272 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100102657272_100000210709 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.163 CNC(=O)NCC(O)c1ccccc1 512a_106832991638_100000210709 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,1,0,0,0,1|2,0,0]=4 2944 B14R1.163 COC(=O)CNC(C)c1ccccn1 2230a_100000181244_100000747449 [0,1,0,0,0,1|2,0,0]=4 2945 B14R1.163 COC(=O)CNC(C)c1cccnc1 2230a_100000195435_100000747449 [0,1,0,0,0,1|2,0,0]=4 2946 B14R1.163 COC(=O)CNC(C)c1ccncc1 2230a_100000181269_100000747449 [0,1,0,0,0,1|2,0,0]=4 2947 B14R1.163 COC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747449 [0,1,0,0,0,1|1,0,0]=3 2948 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000747449 [0,1,0,0,0,1|0,0,0]=2 2949 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747449 [0,1,0,0,0,1|0,0,0]=2 2950 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747449 [0,1,0,0,0,1|0,1,0]=3 2951 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000747449_100000230085 [0,1,0,0,0,1|0,1,0]=3 2952 B14R1.163 COC(C)COC(C)c1ccccc1 34a_100000690652_100000211855 [0,1,0,0,0,1|0,0,2]=4 2953 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [0,1,0,0,0,1|0,0,2]=4 2954 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [0,1,0,0,0,1|0,0,2]=4 2955 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 34a_100000761318_100011219619 [0,1,0,0,0,1|0,0,2]=4 2956 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 7a_100000761318_100011219619 [0,1,0,0,0,1|0,0,2]=4 2957 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 34a_100000761318_100015614560 [0,1,0,0,0,1|0,0,2]=4 2958 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 7a_100000761318_100015614560 [0,1,0,0,0,1|0,0,2]=4 2959 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 34a_100000761318_100009815848 [0,1,0,0,0,1|0,0,2]=4 2960 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 7a_100000761318_100009815848 [0,1,0,0,0,1|0,0,2]=4 2961 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,1,0,0,0,1|1,0,1]=4 2963 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,1,0,0,0,1|2,0,0]=4 2964 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.415 C=C(C)C(=O)CC(C)c1ccccc1 1458a_100000185857_100000756946 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.415 C=C(C)C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000185857 [0,1,0,0,0,1|2,0,0]=4 2967 B14R1.415 C=C(C)C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185857 [0,1,0,0,0,1|2,0,0]=4 2968 B14R1.415 C=C(C)C(C)N[C@H](C)c1ccccc1 269862a_100000751104_100011216138 [0,1,0,0,0,1|2,0,0]=4 2969 B14R1.415 CC(=O)C(=O)CN(C)c1ccccc1 269982a_100000210012_100011261029 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.415 CC(=O)C(=O)CN(C)c1ccccc1 34a_100000210012_100011261029 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.415 CC(=O)C(C)NC(C)c1ccccn1 2230a_100000181244_100009814033 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.415 CC(=O)C(C)NC(C)c1cccnc1 2230a_100000195435_100009814033 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.415 CC(=O)C(C)NC(C)c1ccncc1 2230a_100000181269_100009814033 [0,1,0,0,0,1|2,0,0]=4 2974 B14R1.415 CC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100009814033 [0,1,0,0,0,1|1,0,0]=3 2975 B14R1.415 CC(=O)C(C)OC(C)c1ccccc1 34a_100000212229_100000211855 [0,1,0,0,0,1|0,0,0]=2 2976 B14R1.415 CC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100000179758 [0,1,0,0,0,1|0,0,0]=2 2977 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,1,0,0,0,1|0,1,0]=3 2978 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,1,0,0,0,1|0,1,0]=3 2979 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100015343762 [0,1,0,0,0,1|2,0,0]=4 2980 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100103153847 [0,1,0,0,0,1|2,0,0]=4 2981 B14R1.415 CC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_200000210301 [0,1,0,0,0,1|1,0,1]=4 2982 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,1,0,0,0,1|2,0,0]=4 2983 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,1,0,0,0,1|2,0,0]=4 2984 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,1,0,0,0,1|2,0,0]=4 2985 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,1,0,0,0,1|2,0,0]=4 2986 B14R1.415 CC(OC(C)C(C)C)c1ccccc1 7a_100000748068_100000230085 [0,1,0,0,0,1|1,0,1]=4 2987 B14R1.415 CC(O[C@@H](C)C(=O)[O-])c1ccccc1 7a_217856618621_100000230085 [0,1,0,0,0,1|1,0,0]=3 2988 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,1,0,0,0,1|1,0,0]=3 2989 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,1,0,0,0,1|1,0,0]=3 2990 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,1,0,0,0,1|1,0,0]=3 2991 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,1,0,0,0,1|1,0,0]=3 2992 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,1,0,0,0,1|1,1,0]=4 2993 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,1,0,0,0,1|1,1,0]=4 2994 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,1,0,0,0,1|1,1,0]=4 2995 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,1,0,0,0,1|1,1,0]=4 2996 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100000230085_100020610796 [0,1,0,0,0,1|1,1,0]=4 2997 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000230085 [0,1,0,0,0,1|1,1,0]=4 2998 B14R1.415 C[C@@H](NC(=O)C(=O)N)c1ccccc1 240690a_100000751104_100011215815 [0,1,0,0,0,1|2,0,0]=4 2999 B14R1.415 C[C@@H](NC(F)C(=O)N)c1ccccc1 2230a_100000751104_100009813875 [0,1,0,0,0,1|2,0,0]=4 3000 B14R1.415 C[C@@H](OC(=O)c1ccccc1)C(=O)[13CH3] 1458a_200035542198_200025704644 [0,1,0,0,0,1|1,0,1]=4 3001 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 34a_100000761318_100009813875 [0,1,0,0,0,1|1,0,0]=3 3002 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 7a_100000761318_100009813875 [0,1,0,0,0,1|1,0,0]=3 3003 B14R1.415 C[C@@H](OC(F)C(=O)[O-])c1ccccc1 34a_100000761318_100020610796 [0,1,0,0,0,1|1,0,0]=3 3004 B14R1.417 C=C(C)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000748629 [0,1,0,0,0,1|2,0,0]=4 3005 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 2230a_100000195388_100000748629 [0,1,0,0,0,1|2,0,0]=4 3006 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 2230a_100000225649_100000230085 [0,1,0,0,0,1|2,0,0]=4 3007 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 269982a_100000195388_100000748629 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.417 C=C(C)CN(C)C(C)c1ccccc1 269982a_100000225649_100000230085 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)C 1458a_100000211388_100000230085 [0,1,0,0,0,1|2,0,0]=4 3010 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)Cl 1458a_200042562850_100000230085 [0,1,0,0,0,1|2,0,0]=4 3011 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)I 1458a_100025716642_100000230085 [0,1,0,0,0,1|2,0,0]=4 3012 B14R1.417 CC(=O)CC(=O)N(C)c1ccccc1 1458a_100000070787_100000183487 [0,1,0,0,0,1|2,0,0]=4 3013 B14R1.417 CC(=O)OC(C)C(=O)c1ccccc1 1458a_100000185807_100009818208 [0,1,0,0,0,1|1,0,1]=4 3014 B14R1.417 CC(=O)OC(C)N(C)c1ccccc1 269982a_100000210012_100009818208 [0,1,0,0,0,1|1,0,0]=3 3015 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [0,1,0,0,0,1|2,0,0]=4 3017 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [0,1,0,0,0,1|2,0,0]=4 3018 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [0,1,0,0,0,1|2,0,0]=4 3019 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,1,0,0,0,1|2,0,0]=4 3020 B14R1.417 CC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000195388_100020667443 [0,1,0,0,0,1|2,0,0]=4 3021 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,1,0,0,0,1|2,0,0]=4 3022 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,1,0,0,0,1|2,0,0]=4 3023 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [0,1,0,0,0,1|2,0,0]=4 3024 B14R1.417 C[C@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000751047_100020667443 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.540 C#CC(OCC(=C)C)c1ccccc1 34a_100011219616_100000748629 [0,1,0,0,0,1|1,0,1]=4 3026 B14R1.540 C#CC(OCC(=C)C)c1ccccc1 7a_100011219616_100000748629 [0,1,0,0,0,1|1,0,1]=4 3027 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 34a_100011219616_100000187820 [0,1,0,0,0,1|1,0,1]=4 3028 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 7a_100011219616_100000187820 [0,1,0,0,0,1|1,0,1]=4 3029 B14R1.540 C#CC(OCC(=O)[O-])c1ccccc1 34a_100011219616_100020667443 [0,1,0,0,0,1|1,0,1]=4 3030 B14R1.540 C=C(C)CNC(CC)c1ccccc1 2230a_100000737752_100000748629 [0,1,0,0,0,1|2,0,0]=4 3031 B14R1.540 C=C(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000748629 [0,1,0,0,0,1|2,0,0]=4 3032 B14R1.540 C=C(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000748629 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.540 C=C(C)COC(C#N)c1ccccc1 7a_100011217353_100000748629 [0,1,0,0,0,1|1,0,1]=4 3034 B14R1.540 C=C(C)COC(CBr)c1ccccc1 7a_100000185958_100000748629 [0,1,0,0,0,1|1,0,0]=3 3035 B14R1.540 C=C(C)COC(CC)c1ccccc1 34a_100000698172_100000748629 [0,1,0,0,0,1|1,0,0]=3 3036 B14R1.540 C=C(C)COC(CC)c1ccccc1 7a_100000698172_100000748629 [0,1,0,0,0,1|1,0,0]=3 3037 B14R1.540 C=C(C)COC(CN)c1ccccc1 34a_100000210709_100000748629 [0,1,0,0,0,1|1,0,0]=3 3038 B14R1.540 C=C(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000748629 [0,1,0,0,0,1|1,0,0]=3 3039 B14R1.540 C=C(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000748629 [0,1,0,0,0,1|1,0,0]=3 3040 B14R1.540 C=C(F)COC(CBr)c1ccccc1 7a_100000185958_100000042424 [0,1,0,0,0,1|1,0,1]=4 3041 B14R1.540 C=C(F)COC(CC)c1ccccc1 34a_100000698172_100009893438 [0,1,0,0,0,1|1,0,1]=4 3042 B14R1.540 C=C(F)COC(CC)c1ccccc1 7a_100000698172_100000042424 [0,1,0,0,0,1|1,0,1]=4 3043 B14R1.540 C=C(F)COC(CN)c1ccccc1 34a_100000210709_100009893438 [0,1,0,0,0,1|1,0,1]=4 3044 B14R1.540 C=C(F)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009893438 [0,1,0,0,0,1|1,0,1]=4 3045 B14R1.540 C=C(F)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000042424 [0,1,0,0,0,1|1,0,1]=4 3046 B14R1.540 C=CC(OCC(=C)C)c1ccccc1 34a_100011215659_100000748629 [0,1,0,0,0,1|1,0,1]=4 3047 B14R1.540 C=CC(OCC(=C)C)c1ccccc1 7a_100011215659_100000748629 [0,1,0,0,0,1|1,0,1]=4 3048 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 34a_100011215659_100000187820 [0,1,0,0,0,1|1,0,1]=4 3049 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 7a_100011215659_100000187820 [0,1,0,0,0,1|1,0,1]=4 3050 B14R1.540 C=CC(OCC(=O)[O-])c1ccccc1 34a_100011215659_100020667443 [0,1,0,0,0,1|1,0,1]=4 3051 B14R1.540 CC(=O)NN=C(CF)c1ccccc1 4a_100000189765_100000069468 [0,1,0,0,0,1|1,0,1]=4 3052 B14R1.540 CC(=O)NN=C(CO)c1ccccc1 4a_100000189765_100000748912 [0,1,0,0,0,1|1,0,1]=4 3053 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,1,0,0,0,1|1,0,1]=4 3054 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,1,0,0,0,1|1,0,1]=4 3055 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,1,0,0,0,1|1,0,1]=4 3056 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,1,0,0,0,1|1,0,1]=4 3057 B14R1.540 CC(O)COC(CBr)c1ccccc1 7a_100000185958_100011218427 [0,1,0,0,0,1|0,0,2]=4 3058 B14R1.540 CC(O)COC(CN)c1ccccc1 34a_100000210709_100011218427 [0,1,0,0,0,1|0,0,2]=4 3059 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100011218427 [0,1,0,0,0,1|0,0,2]=4 3060 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100011218427 [0,1,0,0,0,1|0,0,2]=4 3061 B14R1.540 CCC(=NNC(=O)C)c1ccccc1 4a_100000189765_100000210124 [0,1,0,0,0,1|1,0,1]=4 3062 B14R1.540 CCC(COC(C)C)c1ccccc1 34a_100000752371_100000210206 [0,1,0,0,0,1|1,0,1]=4 3063 B14R1.540 CCC(COC(C)C)c1ccccc1 7a_100000752371_100000210206 [0,1,0,0,0,1|1,0,1]=4 3064 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [0,1,0,0,0,1|2,0,0]=4 3065 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [0,1,0,0,0,1|1,0,0]=3 3066 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [0,1,0,0,0,1|1,0,0]=3 3067 B14R1.540 CCC(OCC(=O)[O-])c1ccccc1 34a_100000698172_100020667443 [0,1,0,0,0,1|1,0,0]=3 3068 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,1,0,0,0,1|1,0,1]=4 3069 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,1,0,0,0,1|1,0,1]=4 3070 B14R1.540 CCC(OCC(C)O)c1ccccc1 34a_100000698172_100011218427 [0,1,0,0,0,1|0,0,2]=4 3071 B14R1.540 CCC(OCC(C)O)c1ccccc1 7a_100000698172_100011218427 [0,1,0,0,0,1|0,0,2]=4 3072 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 34a_100000698172_100009817552 [0,1,0,0,0,1|0,0,2]=4 3073 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 7a_100000698172_100009817552 [0,1,0,0,0,1|0,0,2]=4 3074 B14R1.540 CCC(OC[N+](=O)[O-])c1ccccc1 34a_100000698172_100000761209 [0,1,0,0,0,1|2,0,0]=4 3075 B14R1.540 CCN(CCC(=O)C)c1ccccc1 269982a_100000210013_100000053229 [0,1,0,0,0,1|2,0,0]=4 3076 B14R1.540 CCN(COC(=O)C)c1ccccc1 269982a_100000210013_100000076356 [0,1,0,0,0,1|1,0,0]=3 3077 B14R1.540 CCN(COC(=O)C)c1ccccc1 34a_100000210013_100009813279 [0,1,0,0,0,1|1,0,0]=3 3078 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,1,0,0,0,1|2,0,0]=4 3079 B14R1.540 COC(COC(C)C)c1ccccc1 34a_100011215540_100000210206 [0,1,0,0,0,1|1,0,1]=4 3080 B14R1.540 COC(COC(C)C)c1ccccc1 7a_100011215540_100000210206 [0,1,0,0,0,1|1,0,1]=4 3081 B14R1.540 C[C@@H](O)COC(CBr)c1ccccc1 7a_100000185958_100009817552 [0,1,0,0,0,1|0,0,2]=4 3082 B14R1.540 C[C@@H](O)COC(CN)c1ccccc1 34a_100000210709_100009817552 [0,1,0,0,0,1|0,0,2]=4 3083 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009817552 [0,1,0,0,0,1|0,0,2]=4 3084 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009817552 [0,1,0,0,0,1|0,0,2]=4 3085 B14R1.540 N#CC(OCC(=O)N)c1ccccc1 7a_100011217353_100000187820 [0,1,0,0,0,1|1,0,1]=4 3086 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [0,1,0,0,0,1|2,0,0]=4 3087 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [0,1,0,0,0,1|2,0,0]=4 3088 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [0,1,0,0,0,1|1,0,0]=3 3089 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [0,1,0,0,0,1|1,0,0]=3 3090 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [0,1,0,0,0,1|1,0,0]=3 3091 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [0,1,0,0,0,1|1,0,0]=3 3092 B14R1.540 NCC(OCC(=O)[O-])c1ccccc1 34a_100000210709_100020667443 [0,1,0,0,0,1|1,0,0]=3 3093 B14R1.540 NCC(OC[N+](=O)[O-])c1ccccc1 34a_100000210709_100000761209 [0,1,0,0,0,1|2,0,0]=4 3094 B14R1.540 O=C([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100020667443 [0,1,0,0,0,1|2,0,0]=4 3095 B14R1.540 O=C([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100020667443 [0,1,0,0,0,1|1,0,0]=3 3096 B14R1.540 O=[N+]([O-])CO[C@H](CCl)c1ccccc1 34a_100011933945_100000761209 [0,1,0,0,0,1|2,0,0]=4 3097 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,1,0,0,0,1|2,0,0]=4 3098 B14R1.678 C=C(C)CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000748629 [0,1,0,0,0,1|2,0,0]=4 3099 B14R1.678 C=C(C)CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000748629 [0,1,0,0,0,1|2,0,0]=4 3100 B14R1.678 C=C(C)CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000748629 [0,1,0,0,0,1|2,0,0]=4 3101 B14R1.678 C=C(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748629 [0,1,0,0,0,1|2,0,0]=4 3102 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000748629 [0,1,0,0,0,1|2,0,0]=4 3103 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000748629 [0,1,0,0,0,1|2,0,0]=4 3104 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000748629 [0,1,0,0,0,1|2,0,0]=4 3105 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000748629 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000748629 [0,1,0,0,0,1|2,0,0]=4 3107 B14R1.678 C=C(C)COC(C)c1ccc(cc1)Br 34a_100000210245_100000755118 [0,1,0,0,0,1|1,0,0]=3 3108 B14R1.678 C=C(C)COC(C)c1ccc(cc1)Br 34a_100000745893_100000748629 [0,1,0,0,0,1|1,0,0]=3 3109 B14R1.678 C=C(C)COC(C)c1ccc(cc1)Br 7a_100000745893_100000748629 [0,1,0,0,0,1|1,0,0]=3 3110 B14R1.678 C=C(C)COC(C)c1ccc(cc1)C 34a_100000210245_100011261388 [0,1,0,0,0,1|1,0,0]=3 3111 B14R1.678 C=C(C)COC(C)c1ccc(cc1)F 34a_100000181323_100000748629 [0,1,0,0,0,1|1,0,0]=3 3112 B14R1.678 C=C(C)COC(C)c1ccc(cc1)F 34a_100000210245_100000743420 [0,1,0,0,0,1|1,0,0]=3 3113 B14R1.678 C=C(C)COC(C)c1ccc(cc1)F 7a_100000181323_100000748629 [0,1,0,0,0,1|1,0,0]=3 3114 B14R1.678 C=C(C)COC(C)c1ccc(cc1)N 34a_100011216399_100000748629 [0,1,0,0,0,1|1,0,0]=3 3115 B14R1.678 C=C(C)COC(C)c1ccc(cn1)Br 34a_100012353650_100000748629 [0,1,0,0,0,1|2,0,0]=4 3116 B14R1.678 C=C(C)COC(C)c1ccc(cn1)Br 7a_100012353650_100000748629 [0,1,0,0,0,1|2,0,0]=4 3117 B14R1.678 C=C(C)COC(C)c1ccc(nc1)Br 34a_200010274204_100000748629 [0,1,0,0,0,1|2,0,0]=4 3118 B14R1.678 C=C(C)COC(C)c1ccc(nc1)Br 7a_200010274204_100000748629 [0,1,0,0,0,1|2,0,0]=4 3119 B14R1.678 C=C(C)COC(C)c1ccc(nc1)C 34a_200011815720_100000748629 [0,1,0,0,0,1|2,0,0]=4 3120 B14R1.678 C=C(C)COC(C)c1ccc(nc1)C 7a_200011815720_100000748629 [0,1,0,0,0,1|2,0,0]=4 3121 B14R1.678 C=C(C)COC(C)c1ccc(nc1)Cl 34a_200012017543_100000748629 [0,1,0,0,0,1|2,0,0]=4 3122 B14R1.678 C=C(C)COC(C)c1ccc(nc1)Cl 7a_200012017543_100000748629 [0,1,0,0,0,1|2,0,0]=4 3123 B14R1.678 C=C(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000748629 [0,1,0,0,0,1|1,0,0]=3 3124 B14R1.678 C=C(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000748629 [0,1,0,0,0,1|1,0,0]=3 3125 B14R1.678 C=C(C)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000748629 [0,1,0,0,0,1|1,0,0]=3 3126 B14R1.678 C=C(C)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000748629 [0,1,0,0,0,1|1,0,0]=3 3127 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Br 62a_100000748629_100000755118 [0,1,0,0,0,1|1,1,0]=4 3128 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Br 62a_100000755118_100000211660 [0,1,0,0,0,1|1,1,0]=4 3129 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)C 62a_100000748629_100011261388 [0,1,0,0,0,1|1,1,0]=4 3130 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)C 62a_100011261388_100000211660 [0,1,0,0,0,1|1,1,0]=4 3131 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100000211660 [0,1,0,0,0,1|1,1,0]=4 3132 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)Cl 62a_100000748629_100000684792 [0,1,0,0,0,1|1,1,0]=4 3133 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)F 62a_100000743420_100000211660 [0,1,0,0,0,1|1,1,0]=4 3134 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)F 62a_100000748629_100000743420 [0,1,0,0,0,1|1,1,0]=4 3135 B14R1.678 C=C(F)COC(C)c1ccc(cc1)Br 34a_100000745893_100009893438 [0,1,0,0,0,1|1,0,1]=4 3136 B14R1.678 C=C(F)COC(C)c1ccc(cc1)Br 34a_200010262243_100000755118 [0,1,0,0,0,1|1,0,1]=4 3137 B14R1.678 C=C(F)COC(C)c1ccc(cc1)Br 7a_100000745893_100000042424 [0,1,0,0,0,1|1,0,1]=4 3138 B14R1.678 C=C(F)COC(C)c1ccc(cc1)C 34a_200010262243_100011261388 [0,1,0,0,0,1|1,0,1]=4 3139 B14R1.678 C=C(F)COC(C)c1ccc(cc1)F 34a_100000181323_100009893438 [0,1,0,0,0,1|1,0,1]=4 3140 B14R1.678 C=C(F)COC(C)c1ccc(cc1)F 34a_200010262243_100000743420 [0,1,0,0,0,1|1,0,1]=4 3141 B14R1.678 C=C(F)COC(C)c1ccc(cc1)F 7a_100000181323_100000042424 [0,1,0,0,0,1|1,0,1]=4 3142 B14R1.678 C=C(F)COC(C)c1ccc(cc1)N 34a_100011216399_100009893438 [0,1,0,0,0,1|1,0,1]=4 3143 B14R1.678 C=C(F)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100009893438 [0,1,0,0,0,1|1,0,1]=4 3144 B14R1.678 C=C(F)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000042424 [0,1,0,0,0,1|1,0,1]=4 3145 B14R1.678 C=C(F)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100009893438 [0,1,0,0,0,1|1,0,1]=4 3146 B14R1.678 C=C(F)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000042424 [0,1,0,0,0,1|1,0,1]=4 3147 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000053229 [0,1,0,0,0,1|2,0,0]=4 3148 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)C 269982a_100000219977_100000053229 [0,1,0,0,0,1|2,0,0]=4 3149 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000053229 [0,1,0,0,0,1|2,0,0]=4 3150 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)F 269982a_100000219829_100000053229 [0,1,0,0,0,1|2,0,0]=4 3151 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)I 269982a_100000743151_100000053229 [0,1,0,0,0,1|2,0,0]=4 3152 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000053229 [0,1,0,0,0,1|2,0,0]=4 3153 B14R1.678 CC(=O)COC(=O)c1ccc(cc1)O 271570a_203496583355_200027936475 [0,1,0,0,0,1|1,0,1]=4 3154 B14R1.678 CC(=O)COC(C)c1ccc(cc1)Br 34a_100000211253_100000755118 [0,1,0,0,0,1|0,0,0]=2 3155 B14R1.678 CC(=O)COC(C)c1ccc(cc1)C 34a_100000211253_100011261388 [0,1,0,0,0,1|0,0,0]=2 3156 B14R1.678 CC(=O)COC(C)c1ccc(cc1)F 34a_100000211253_100000743420 [0,1,0,0,0,1|0,0,0]=2 3157 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [0,1,0,0,0,1|1,0,0]=3 3158 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [0,1,0,0,0,1|1,0,0]=3 3159 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100015343762 [0,1,0,0,0,1|2,0,0]=4 3160 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100103153847 [0,1,0,0,0,1|2,0,0]=4 3161 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100015343762 [0,1,0,0,0,1|2,0,0]=4 3162 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100103153847 [0,1,0,0,0,1|2,0,0]=4 3163 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [0,1,0,0,0,1|2,0,0]=4 3164 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [0,1,0,0,0,1|2,0,0]=4 3165 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [0,1,0,0,0,1|2,0,0]=4 3166 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [0,1,0,0,0,1|2,0,0]=4 3167 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)Br 4a_100000189765_100000185794 [0,1,0,0,0,1|1,0,1]=4 3168 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)C 4a_100000189765_100000185793 [0,1,0,0,0,1|1,0,1]=4 3169 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)Cl 4a_100000189765_100000185797 [0,1,0,0,0,1|1,0,1]=4 3170 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)F 4a_100000189765_100000185800 [0,1,0,0,0,1|1,0,1]=4 3171 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)I 4a_100000189765_100000185465 [0,1,0,0,0,1|1,0,1]=4 3172 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)O 4a_100000189765_100000185113 [0,1,0,0,0,1|1,0,1]=4 3173 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)O 271570a_203496583355_100009811547 [0,1,0,0,0,1|1,0,1]=4 3174 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Br 269982a_100000219623_100000076356 [0,1,0,0,0,1|1,0,0]=3 3175 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Br 34a_100000219623_100009813279 [0,1,0,0,0,1|1,0,0]=3 3176 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)C 269982a_100000219977_100000076356 [0,1,0,0,0,1|1,0,0]=3 3177 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)C 34a_100000219977_100009813279 [0,1,0,0,0,1|1,0,0]=3 3178 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000076356 [0,1,0,0,0,1|1,0,0]=3 3179 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 34a_100020629279_100009813279 [0,1,0,0,0,1|1,0,0]=3 3180 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)F 269982a_100000219829_100000076356 [0,1,0,0,0,1|1,0,0]=3 3181 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)F 34a_100000219829_100009813279 [0,1,0,0,0,1|1,0,0]=3 3182 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)I 269982a_100000743151_100000076356 [0,1,0,0,0,1|1,0,0]=3 3183 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)I 34a_100000743151_100009813279 [0,1,0,0,0,1|1,0,0]=3 3184 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)O 269982a_100000182112_100000076356 [0,1,0,0,0,1|1,0,0]=3 3185 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)O 34a_100000182112_100009813279 [0,1,0,0,0,1|1,0,0]=3 3186 B14R1.678 CC(Br)COC(C)c1ccc(cc1)Br 34a_100012180447_100000755118 [0,1,0,0,0,1|1,0,1]=4 3187 B14R1.678 CC(Br)COC(C)c1ccc(cc1)F 34a_100012180447_100000743420 [0,1,0,0,0,1|1,0,1]=4 3188 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000210257_100000755118 [0,1,0,0,0,1|1,0,1]=4 3189 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 34a_100000745893_100000210624 [0,1,0,0,0,1|1,0,1]=4 3190 B14R1.678 CC(C)COC(C)c1ccc(cc1)Br 7a_100000745893_100000210760 [0,1,0,0,0,1|1,0,1]=4 3191 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000181323_100000210624 [0,1,0,0,0,1|1,0,1]=4 3192 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 34a_100000210257_100000743420 [0,1,0,0,0,1|1,0,1]=4 3193 B14R1.678 CC(C)COC(C)c1ccc(cc1)F 7a_100000181323_100000210760 [0,1,0,0,0,1|1,0,1]=4 3194 B14R1.678 CC(C)COC(C)c1ccc(cc1)N 34a_100011216399_100000210624 [0,1,0,0,0,1|1,0,1]=4 3195 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210624 [0,1,0,0,0,1|1,0,1]=4 3196 B14R1.678 CC(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210760 [0,1,0,0,0,1|1,0,1]=4 3197 B14R1.678 CC(F)COC(C)c1ccc(cc1)Br 34a_100015925927_100000755118 [0,1,0,0,0,1|1,0,1]=4 3198 B14R1.678 CC(F)COC(C)c1ccc(cc1)F 34a_100015925927_100000743420 [0,1,0,0,0,1|1,0,1]=4 3199 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Br 2230a_100000711301_100000755118 [0,1,0,0,0,1|2,0,0]=4 3200 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Cl 2230a_100000711301_100000684792 [0,1,0,0,0,1|2,0,0]=4 3201 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)F 2230a_100000711301_100000743420 [0,1,0,0,0,1|2,0,0]=4 3202 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Br 269956a_100016091260_100000755118 [0,1,0,0,0,1|2,0,0]=4 3203 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Cl 269956a_100016091260_100000684792 [0,1,0,0,0,1|2,0,0]=4 3204 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)F 269956a_100016091260_100000743420 [0,1,0,0,0,1|2,0,0]=4 3205 B14R1.678 CC(O)COC(C)c1ccc(cc1)Br 34a_100000745893_100011218427 [0,1,0,0,0,1|0,0,2]=4 3206 B14R1.678 CC(O)COC(C)c1ccc(cc1)Br 7a_100000745893_100011218427 [0,1,0,0,0,1|0,0,2]=4 3207 B14R1.678 CC(O)COC(C)c1ccc(cc1)F 34a_100000181323_100011218427 [0,1,0,0,0,1|0,0,2]=4 3208 B14R1.678 CC(O)COC(C)c1ccc(cc1)F 7a_100000181323_100011218427 [0,1,0,0,0,1|0,0,2]=4 3209 B14R1.678 CC(O)COC(C)c1ccc(cc1)N 34a_100011216399_100011218427 [0,1,0,0,0,1|0,0,2]=4 3210 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218427 [0,1,0,0,0,1|0,0,2]=4 3211 B14R1.678 CC(O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011218427 [0,1,0,0,0,1|0,0,2]=4 3212 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 34a_100000745893_100000187820 [0,1,0,0,0,1|1,0,0]=3 3213 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 7a_100000745893_100000187820 [0,1,0,0,0,1|1,0,0]=3 3214 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 34a_100000181323_100000187820 [0,1,0,0,0,1|1,0,0]=3 3215 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 7a_100000181323_100000187820 [0,1,0,0,0,1|1,0,0]=3 3216 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)N 34a_100011216399_100000187820 [0,1,0,0,0,1|1,0,0]=3 3217 B14R1.678 CC(OCC(=O)N)c1ccc(cn1)Br 34a_100012353650_100000187820 [0,1,0,0,0,1|2,0,0]=4 3218 B14R1.678 CC(OCC(=O)N)c1ccc(cn1)Br 7a_100012353650_100000187820 [0,1,0,0,0,1|2,0,0]=4 3219 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Br 34a_200010274204_100000187820 [0,1,0,0,0,1|2,0,0]=4 3220 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Br 7a_200010274204_100000187820 [0,1,0,0,0,1|2,0,0]=4 3221 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Cl 34a_200012017543_100000187820 [0,1,0,0,0,1|2,0,0]=4 3222 B14R1.678 CC(OCC(=O)N)c1ccc(nc1)Cl 7a_200012017543_100000187820 [0,1,0,0,0,1|2,0,0]=4 3223 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)Br 34a_100000745893_100020667443 [0,1,0,0,0,1|1,0,0]=3 3224 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)F 34a_100000181323_100020667443 [0,1,0,0,0,1|1,0,0]=3 3225 B14R1.678 CC(OCC(=O)[O-])c1ccc(cc1)N 34a_100011216399_100020667443 [0,1,0,0,0,1|1,0,0]=3 3226 B14R1.678 CC(OCC(=O)[O-])c1ccc(cn1)Br 34a_100012353650_100020667443 [0,1,0,0,0,1|2,0,0]=4 3227 B14R1.678 CC(OCC(=O)[O-])c1ccc(nc1)Br 34a_200010274204_100020667443 [0,1,0,0,0,1|2,0,0]=4 3228 B14R1.678 CC(OCC(=O)[O-])c1ccc(nc1)Cl 34a_200012017543_100020667443 [0,1,0,0,0,1|2,0,0]=4 3229 B14R1.678 CC(OC[C@@H](C)Cl)c1ccc(cc1)Br 34a_100016084084_100000755118 [0,1,0,0,0,1|1,0,1]=4 3230 B14R1.678 CC(OC[C@@H](C)Cl)c1ccc(cc1)F 34a_100016084084_100000743420 [0,1,0,0,0,1|1,0,1]=4 3231 B14R1.678 CC(OC[C@@H](C)N)c1ccc(cc1)Br 34a_100000737577_100000755118 [0,1,0,0,0,1|1,0,1]=4 3232 B14R1.678 CC(OC[C@@H](C)N)c1ccc(cc1)F 34a_100000737577_100000743420 [0,1,0,0,0,1|1,0,1]=4 3233 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)Br 34a_100000745893_100009817552 [0,1,0,0,0,1|0,0,2]=4 3234 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)Br 7a_100000745893_100009817552 [0,1,0,0,0,1|0,0,2]=4 3235 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)F 34a_100000181323_100009817552 [0,1,0,0,0,1|0,0,2]=4 3236 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)F 7a_100000181323_100009817552 [0,1,0,0,0,1|0,0,2]=4 3237 B14R1.678 CC(OC[C@@H](C)O)c1ccc(cc1)N 34a_100011216399_100009817552 [0,1,0,0,0,1|0,0,2]=4 3238 B14R1.678 CC(OC[N+](=O)[O-])c1ccc(cc1)Br 34a_100000745893_100000761209 [0,1,0,0,0,1|2,0,0]=4 3239 B14R1.678 CC(OC[N+](=O)[O-])c1ccc(cc1)F 34a_100000181323_100000761209 [0,1,0,0,0,1|2,0,0]=4 3240 B14R1.678 CC(OC[N+](=O)[O-])c1ccc(cc1)N 34a_100011216399_100000761209 [0,1,0,0,0,1|2,0,0]=4 3241 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000747473_100000755118 [0,1,0,0,0,1|1,1,0]=4 3242 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000755118_100000747473 [0,1,0,0,0,1|1,1,0]=4 3243 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000684792_100000747473 [0,1,0,0,0,1|1,1,0]=4 3244 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000747473_100000684792 [0,1,0,0,0,1|1,1,0]=4 3245 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000743420_100000747473 [0,1,0,0,0,1|1,1,0]=4 3246 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000747473_100000743420 [0,1,0,0,0,1|1,1,0]=4 3247 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100000755118_100020667443 [0,1,0,0,0,1|1,1,0]=4 3248 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Br 62a_100020667443_100000755118 [0,1,0,0,0,1|1,1,0]=4 3249 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100000684792_100020667443 [0,1,0,0,0,1|1,1,0]=4 3250 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)Cl 62a_100020667443_100000684792 [0,1,0,0,0,1|1,1,0]=4 3251 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100000743420_100020667443 [0,1,0,0,0,1|1,1,0]=4 3252 B14R1.678 CC(SCC(=O)[O-])c1ccc(cc1)F 62a_100020667443_100000743420 [0,1,0,0,0,1|1,1,0]=4 3253 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100000720352_100000747473 [0,1,0,0,0,1|2,0,0]=4 3254 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015205461_100000747473 [0,1,0,0,0,1|2,0,0]=4 3255 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015205461_100000187820 [0,1,0,0,0,1|2,0,0]=4 3256 B14R1.678 C[C@@H](NCC(=O)[O-])c1ccc(cc1)Cl 34a_100015205461_100020667443 [0,1,0,0,0,1|2,0,0]=4 3257 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 2230a_100025705893_100000747473 [0,1,0,0,0,1|2,0,0]=4 3258 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 34a_100025705893_100000187820 [0,1,0,0,0,1|2,0,0]=4 3259 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)I 2230a_100000753911_100000747473 [0,1,0,0,0,1|2,0,0]=4 3260 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000747473 [0,1,0,0,0,1|2,0,0]=4 3261 B14R1.678 C[C@H](NCC(=O)[O-])c1ccc(cc1)F 34a_100025705893_100020667443 [0,1,0,0,0,1|2,0,0]=4 3262 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 34a_100011852131_100000187820 [0,1,0,0,0,1|1,0,0]=3 3263 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 7a_100011852131_100000187820 [0,1,0,0,0,1|1,0,0]=3 3264 B14R1.678 C[C@H](OCC(=O)[O-])c1ccc(cc1)Cl 34a_100011852131_100020667443 [0,1,0,0,0,1|1,0,0]=3 3265 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 34a_100011852131_100009817552 [0,1,0,0,0,1|0,0,2]=4 3266 B14R1.678 C[C@H](OC[C@@H](C)O)c1ccc(cc1)Cl 7a_100011852131_100009817552 [0,1,0,0,0,1|0,0,2]=4 3267 B14R1.678 C[C@H](OC[N+](=O)[O-])c1ccc(cc1)Cl 34a_100011852131_100000761209 [0,1,0,0,0,1|2,0,0]=4 3268 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)N 2230a_100000711301_100011261388 [0,1,0,0,0,1|2,0,0]=4 3269 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)O 269956a_100016091260_100011261388 [0,1,0,0,0,1|2,0,0]=4 3270 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)Br 34a_100012180447_100011261388 [0,1,0,0,0,1|1,0,1]=4 3271 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)C 34a_100000210257_100011261388 [0,1,0,0,0,1|1,0,1]=4 3272 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)F 34a_100015925927_100011261388 [0,1,0,0,0,1|1,0,1]=4 3273 B14R1.678 Cc1ccc(cc1)C(C)OC[C@@H](C)Cl 34a_100016084084_100011261388 [0,1,0,0,0,1|1,0,1]=4 3274 B14R1.678 Cc1ccc(cc1)C(C)OC[C@@H](C)N 34a_100000737577_100011261388 [0,1,0,0,0,1|1,0,1]=4 3275 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100000747473_100011261388 [0,1,0,0,0,1|1,1,0]=4 3276 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100011261388_100000747473 [0,1,0,0,0,1|1,1,0]=4 3277 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100011261388_100020667443 [0,1,0,0,0,1|1,1,0]=4 3278 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)[O-] 62a_100020667443_100011261388 [0,1,0,0,0,1|1,1,0]=4 3279 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 2230a_100016988085_100000747473 [0,1,0,0,0,1|2,0,0]=4 3280 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 34a_100016988085_100000187820 [0,1,0,0,0,1|2,0,0]=4 3281 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)[O-] 34a_100016988085_100020667443 [0,1,0,0,0,1|2,0,0]=4 3282 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 34a_100000690690_100000187820 [0,1,0,0,0,1|1,0,0]=3 3283 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 7a_100000690690_100000187820 [0,1,0,0,0,1|1,0,0]=3 3284 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)[O-] 34a_100000690690_100020667443 [0,1,0,0,0,1|1,0,0]=3 3285 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 34a_100000690690_100000210624 [0,1,0,0,0,1|1,0,1]=4 3286 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 7a_100000690690_100000210760 [0,1,0,0,0,1|1,0,1]=4 3287 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)O 34a_100000690690_100011218427 [0,1,0,0,0,1|0,0,2]=4 3288 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)O 7a_100000690690_100011218427 [0,1,0,0,0,1|0,0,2]=4 3289 B14R1.678 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)O 34a_100000690690_100009817552 [0,1,0,0,0,1|0,0,2]=4 3290 B14R1.678 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)O 7a_100000690690_100009817552 [0,1,0,0,0,1|0,0,2]=4 3291 B14R1.678 Cc1ccc(cc1)[C@@H](C)OC[N+](=O)[O-] 34a_100000690690_100000761209 [0,1,0,0,0,1|2,0,0]=4 3292 B14R1.678 Cc1ccc(cn1)C(C)OCC(=O)N 34a_200011815720_100000187820 [0,1,0,0,0,1|2,0,0]=4 3293 B14R1.678 Cc1ccc(cn1)C(C)OCC(=O)N 7a_200011815720_100000187820 [0,1,0,0,0,1|2,0,0]=4 3294 B14R1.678 Cc1ccc(cn1)C(C)OCC(=O)[O-] 34a_200011815720_100020667443 [0,1,0,0,0,1|2,0,0]=4 3295 B14R1.678 [2H]C(OCC(=C)C)c1ccc(cc1)F 34a_217856618577_100000748629 [0,1,0,0,0,1|2,0,0]=4 3296 B14R1.678 [2H]C(OCC(=C)C)c1ccc(cc1)F 7a_217856618577_100000748629 [0,1,0,0,0,1|2,0,0]=4 3297 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 34a_217856618577_100000187820 [0,1,0,0,0,1|2,0,0]=4 3298 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 7a_217856618577_100000187820 [0,1,0,0,0,1|2,0,0]=4 3299 B14R1.678 [2H]C(OCC(=O)[O-])c1ccc(cc1)F 34a_217856618577_100020667443 [0,1,0,0,0,1|2,0,0]=4 3300 B14R1.813 C=C(C)CNC(C)(C)c1ccccc1 2230a_100011218174_100000748629 [0,1,0,0,0,1|2,0,0]=4 3301 B14R1.813 C=C(C)COC(C)(C)c1ccccc1 7a_100000694644_100000748629 [0,1,0,0,0,1|1,0,0]=3 3302 B14R1.813 C=C(C)COC(C)(C)c1ccccn1 7a_100000041474_100000748629 [0,1,0,0,0,1|2,0,0]=4 3303 B14R1.813 C=C(C)CSC(C)(C)c1ccccc1 62a_100000034625_100000211660 [0,1,0,0,0,1|1,1,0]=4 3304 B14R1.813 C=C(C)CSC(C)(C)c1ccccc1 62a_100000748629_100000034625 [0,1,0,0,0,1|1,1,0]=4 3305 B14R1.813 C=C(F)COC(C)(C)c1ccccc1 7a_100000694644_100000042424 [0,1,0,0,0,1|1,0,1]=4 3306 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 11a_100011211644_100015343762 [0,1,0,0,0,1|1,0,0]=3 3307 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 1626a_100011211644_100015343762 [0,1,0,0,0,1|1,0,0]=3 3308 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 240690a_100011211644_100015343762 [0,1,0,0,0,1|1,0,0]=3 3309 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 527a_100011211644_100103153847 [0,1,0,0,0,1|1,0,0]=3 3310 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 527a_100011660926_100103153847 [0,1,0,0,0,1|1,0,0]=3 3311 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 11a_100000717977_100015343762 [0,1,0,0,0,1|2,0,0]=4 3312 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 1626a_100000717977_100015343762 [0,1,0,0,0,1|2,0,0]=4 3313 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 240690a_100000717977_100015343762 [0,1,0,0,0,1|2,0,0]=4 3314 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 527a_100000717977_100103153847 [0,1,0,0,0,1|2,0,0]=4 3315 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100000711301_100000034625 [0,1,0,0,0,1|2,0,0]=4 3316 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100011218174_100000747473 [0,1,0,0,0,1|2,0,0]=4 3317 B14R1.813 CC(C)(NCC(=O)O)c1ccccc1 269956a_100016091260_100000034625 [0,1,0,0,0,1|2,0,0]=4 3318 B14R1.813 CC(C)(OCC(=O)N)c1ccccc1 7a_100000694644_100000187820 [0,1,0,0,0,1|1,0,0]=3 3319 B14R1.813 CC(C)(OCC(=O)N)c1ccccn1 7a_100000041474_100000187820 [0,1,0,0,0,1|2,0,0]=4 3320 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000034625_100000747473 [0,1,0,0,0,1|1,1,0]=4 3321 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000747473_100000034625 [0,1,0,0,0,1|1,1,0]=4 3322 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100000034625_100020667443 [0,1,0,0,0,1|1,1,0]=4 3323 B14R1.813 CC(C)(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000034625 [0,1,0,0,0,1|1,1,0]=4 3324 B14R1.813 CC(C)COC(C)(C)c1ccccc1 7a_100000694644_100000210760 [0,1,0,0,0,1|1,0,1]=4 3325 B14R1.813 CC(C)OCC(C)(C)c1ccccc1 7a_100000747608_100000210206 [0,1,0,0,0,1|1,0,1]=4 3326 B14R1.813 CC(O)COC(C)(C)c1ccccc1 7a_100000694644_100011218427 [0,1,0,0,0,1|0,0,2]=4 3327 B14R1.813 C[C@@H](O)COC(C)(C)c1ccccc1 7a_100000694644_100009817552 [0,1,0,0,0,1|0,0,2]=4 3328 B14R1.3098 CC(CNS(=O)(=O)C)c1ccccc1 40a_100000701038_100000738038 [0,1,0,0,0,1|2,0,0]=4 3329 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100011215166_100000210625 [0,1,0,0,0,1|1,0,1]=4 3330 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100015890283_100000756946 [0,1,0,0,0,1|1,0,1]=4 3331 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 7a_100015890283_100000756946 [0,1,0,0,0,1|1,0,1]=4 3332 B14R1.3098 CC(OCC(C)(C)F)c1ccccc1 34a_100000716592_100000211855 [0,1,0,0,0,1|1,0,1]=4 3333 B14R1.3098 CC(OCC(C)(F)F)c1ccccc1 34a_100000068830_100000211855 [0,1,0,0,0,1|1,0,1]=4 3334 B14R1.3098 C[C@@H](OCC(C)(C)C)c1ccccc1 34a_100000761318_100011219605 [0,1,0,0,0,1|1,0,1]=4 3335 B14R1.3098 C[C@@H](OCC(C)(C)F)c1ccccc1 34a_100000761318_100011997219 [0,1,0,0,0,1|1,0,1]=4 3336 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 34a_100000761318_100000764493 [0,1,0,0,0,1|0,0,2]=4 3337 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 7a_100000761318_100000764493 [0,1,0,0,0,1|0,0,2]=4 3338 B14R1.3098 C[C@@H](OCS(=O)(=O)[O-])c1ccccc1 34a_100000761318_100009817235 [0,1,0,0,0,1|2,0,0]=4 3339 B14R1.3098 C[C@@H](OC[Si](C)(C)C)c1ccccc1 7a_100000761318_100000233785 [0,1,0,0,0,1|1,1,0]=4 3340 B14R1.337 CC(=O)CN(C)Cc1ccccc1F 1458a_100015184060_200000210301 [0,1,0,0,0,1|2,0,0]=4 3341 B14R1.337 CC(=O)OC(C)Sc1c[nH]ccc1=O 62a_100009818208_100009998708 [0,1,0,0,0,1|1,0,0]=3 3342 B14R1.337 CC(=O)OC(C)Sc1c[nH]ccc1=O 62a_100009998708_100009818208 [0,1,0,0,0,1|1,0,0]=3 3343 B14R1.337 CC(=O)OC(C)Sc1c[nH]ccc1=S 62a_100009818208_200012280681 [0,1,0,0,0,1|1,0,0]=3 3344 B14R1.337 CC(=O)OC(C)Sc1c[nH]ccc1=S 62a_200012280681_100009818208 [0,1,0,0,0,1|1,0,0]=3 3345 B14R1.337 CC(=O)OC(C)Sc1cccc[n+]1C 62a_100009818208_100000212160 [0,1,0,0,0,1|1,0,0]=3 3346 B14R1.337 CC(=O)OC(C)Sc1cccc[n+]1[O-] 62a_100009818208_200000042595 [0,1,0,0,0,1|1,0,0]=3 3347 B14R1.337 CC(=O)OC(C)Sc1ccccc1Br 62a_100000695589_100009818208 [0,1,0,0,0,1|0,0,0]=2 3348 B14R1.337 CC(=O)OC(C)Sc1ccccc1Br 62a_100009818208_100000695589 [0,1,0,0,0,1|0,0,0]=2 3349 B14R1.337 CC(=O)OC(C)Sc1ccccc1C 62a_100000210755_100009818208 [0,1,0,0,0,1|0,0,0]=2 3350 B14R1.337 CC(=O)OC(C)Sc1ccccc1C 62a_100009818208_100000210755 [0,1,0,0,0,1|0,0,0]=2 3351 B14R1.337 CC(=O)OC(C)Sc1ccccc1Cl 62a_100000764095_100009818208 [0,1,0,0,0,1|0,0,0]=2 3352 B14R1.337 CC(=O)OC(C)Sc1ccccc1Cl 62a_100009818208_100000764095 [0,1,0,0,0,1|0,0,0]=2 3353 B14R1.337 CC(=O)OC(C)Sc1ccccc1F 62a_100009818208_100011215700 [0,1,0,0,0,1|0,0,0]=2 3354 B14R1.337 CC(=O)OC(C)Sc1ccccc1F 62a_100011215700_100009818208 [0,1,0,0,0,1|0,0,0]=2 3355 B14R1.337 CC(=O)OC(C)Sc1ccccc1N 62a_100000210017_100009818208 [0,1,0,0,0,1|0,0,0]=2 3356 B14R1.337 CC(=O)OC(C)Sc1ccccc1N 62a_100009818208_100000210017 [0,1,0,0,0,1|0,0,0]=2 3357 B14R1.337 CC(=O)OC(C)Sc1ccccc1O 62a_100000739446_100009818208 [0,1,0,0,0,1|0,0,0]=2 3358 B14R1.337 CC(=O)OC(C)Sc1ccccc1O 62a_100009818208_100000739446 [0,1,0,0,0,1|0,0,0]=2 3359 B14R1.337 CC(=O)OC(C)Sc1cccnc1Br 62a_100009818208_100010202626 [0,1,0,0,0,1|1,0,0]=3 3360 B14R1.337 CC(=O)OC(C)Sc1cccnc1Br 62a_100010202626_100009818208 [0,1,0,0,0,1|1,0,0]=3 3361 B14R1.337 CC(=O)OC(C)Sc1cccnc1C 62a_100000751574_100009818208 [0,1,0,0,0,1|1,0,0]=3 3362 B14R1.337 CC(=O)OC(C)Sc1cccnc1C 62a_100009818208_100000751574 [0,1,0,0,0,1|1,0,0]=3 3363 B14R1.337 CC(=O)OC(C)Sc1cccnc1Cl 62a_100000036424_100009818208 [0,1,0,0,0,1|1,0,0]=3 3364 B14R1.337 CC(=O)OC(C)Sc1cccnc1Cl 62a_100009818208_100000036424 [0,1,0,0,0,1|1,0,0]=3 3365 B14R1.337 CC(=O)OC(C)Sc1cccnc1F 62a_100009816115_100009818208 [0,1,0,0,0,1|1,0,0]=3 3366 B14R1.337 CC(=O)OC(C)Sc1cccnc1F 62a_100009818208_100009816115 [0,1,0,0,0,1|1,0,0]=3 3367 B14R1.337 CC(=O)OC(C)Sc1cccnc1N 62a_100000045569_100009818208 [0,1,0,0,0,1|1,0,0]=3 3368 B14R1.337 CC(=O)OC(C)Sc1cccnc1N 62a_100009818208_100000045569 [0,1,0,0,0,1|1,0,0]=3 3369 B14R1.337 CC(=O)OC(C)Sc1cccnc1O 62a_100000760158_100009818208 [0,1,0,0,0,1|1,0,0]=3 3370 B14R1.337 CC(=O)OC(C)Sc1cccnc1O 62a_100009818208_100000760158 [0,1,0,0,0,1|1,0,0]=3 3371 B14R1.337 CC(=O)OC(C)Sc1ccn[nH]c1=O 62a_100009818208_100000087129 [0,1,0,0,0,1|2,0,0]=4 3372 B14R1.337 CC(=O)OC(C)Sc1ccncc1Br 62a_100000726257_100009818208 [0,1,0,0,0,1|1,0,0]=3 3373 B14R1.337 CC(=O)OC(C)Sc1ccncc1Br 62a_100009818208_100000726257 [0,1,0,0,0,1|1,0,0]=3 3374 B14R1.337 CC(=O)OC(C)Sc1ccncc1C 62a_100000765111_100009818208 [0,1,0,0,0,1|1,0,0]=3 3375 B14R1.337 CC(=O)OC(C)Sc1ccncc1C 62a_100009818208_100000765111 [0,1,0,0,0,1|1,0,0]=3 3376 B14R1.337 CC(=O)OC(C)Sc1ccncc1Cl 62a_100000708259_100009818208 [0,1,0,0,0,1|1,0,0]=3 3377 B14R1.337 CC(=O)OC(C)Sc1ccncc1Cl 62a_100009818208_100000708259 [0,1,0,0,0,1|1,0,0]=3 3378 B14R1.337 CC(=O)OC(C)Sc1ccncc1F 62a_100000047030_100009818208 [0,1,0,0,0,1|1,0,0]=3 3379 B14R1.337 CC(=O)OC(C)Sc1ccncc1F 62a_100009818208_100000047030 [0,1,0,0,0,1|1,0,0]=3 3380 B14R1.337 CC(=O)OC(C)Sc1ccncc1N 62a_100000756074_100009818208 [0,1,0,0,0,1|1,0,0]=3 3381 B14R1.337 CC(=O)OC(C)Sc1ccncc1N 62a_100009818208_100000756074 [0,1,0,0,0,1|1,0,0]=3 3382 B14R1.337 CC(=O)OC(C)Sc1ccncc1O 62a_100009817591_100009818208 [0,1,0,0,0,1|1,0,0]=3 3383 B14R1.337 CC(=O)OC(C)Sc1ccncc1O 62a_100009818208_100009817591 [0,1,0,0,0,1|1,0,0]=3 3384 B14R1.337 CC(=O)OC(C)Sc1cnccc1Br 62a_100009818208_100010138639 [0,1,0,0,0,1|1,0,0]=3 3385 B14R1.337 CC(=O)OC(C)Sc1cnccc1Br 62a_100010138639_100009818208 [0,1,0,0,0,1|1,0,0]=3 3386 B14R1.337 CC(=O)OC(C)Sc1cnccc1C 62a_100000761580_100009818208 [0,1,0,0,0,1|1,0,0]=3 3387 B14R1.337 CC(=O)OC(C)Sc1cnccc1C 62a_100009818208_100000761580 [0,1,0,0,0,1|1,0,0]=3 3388 B14R1.337 CC(=O)OC(C)Sc1cnccc1Cl 62a_100009818208_100009995489 [0,1,0,0,0,1|1,0,0]=3 3389 B14R1.337 CC(=O)OC(C)Sc1cnccc1Cl 62a_100009995489_100009818208 [0,1,0,0,0,1|1,0,0]=3 3390 B14R1.337 CC(=O)OC(C)Sc1cnccc1F 62a_100009818208_100009820683 [0,1,0,0,0,1|1,0,0]=3 3391 B14R1.337 CC(=O)OC(C)Sc1cnccc1F 62a_100009820683_100009818208 [0,1,0,0,0,1|1,0,0]=3 3392 B14R1.337 CC(=O)OC(C)Sc1cnccc1N 62a_100000047001_100009818208 [0,1,0,0,0,1|1,0,0]=3 3393 B14R1.337 CC(=O)OC(C)Sc1cnccc1N 62a_100009818208_100000047001 [0,1,0,0,0,1|1,0,0]=3 3394 B14R1.337 CC(=O)OC(C)Sc1cncnc1Br 62a_100009818208_200012461658 [0,1,0,0,0,1|2,0,0]=4 3395 B14R1.337 CC(=O)OC(C)Sc1cncnc1Br 62a_200012461658_100009818208 [0,1,0,0,0,1|2,0,0]=4 3396 B14R1.337 CC(=O)OC(C)Sc1cncnc1C 62a_100009818208_100009819671 [0,1,0,0,0,1|2,0,0]=4 3397 B14R1.337 CC(=O)OC(C)Sc1cncnc1C 62a_100009819671_100009818208 [0,1,0,0,0,1|2,0,0]=4 3398 B14R1.337 CC(=O)OC(C)Sc1cncnc1Cl 62a_100000758962_100009818208 [0,1,0,0,0,1|2,0,0]=4 3399 B14R1.337 CC(=O)OC(C)Sc1cncnc1Cl 62a_100009818208_100000758962 [0,1,0,0,0,1|2,0,0]=4 3400 B14R1.337 CC(=O)OC(C)Sc1cncnc1N 62a_100009818208_100011996079 [0,1,0,0,0,1|2,0,0]=4 3401 B14R1.337 CC(=O)OC(C)Sc1cncnc1N 62a_100011996079_100009818208 [0,1,0,0,0,1|2,0,0]=4 3402 B14R1.337 CC(=O)OC(C)Sc1cncnc1O 62a_100000751107_100009818208 [0,1,0,0,0,1|2,0,0]=4 3403 B14R1.337 CC(=O)OC(C)Sc1cncnc1O 62a_100009818208_100000751107 [0,1,0,0,0,1|2,0,0]=4 3404 B14R1.337 CC(=O)OC(C)Sc1cnncc1N 62a_100009818208_100009829405 [0,1,0,0,0,1|2,0,0]=4 3405 B14R1.337 CC(=O)OC(C)Sc1cnncc1N 62a_100009829405_100009818208 [0,1,0,0,0,1|2,0,0]=4 3406 B14R1.337 CC(=O)OC(C)Sc1ncc[nH]c1=O 62a_100009818208_100000763361 [0,1,0,0,0,1|2,0,0]=4 3407 B14R1.337 CC(=O)OC(C)Sc1ncccc1Br 62a_100000696092_100009818208 [0,1,0,0,0,1|1,0,0]=3 3408 B14R1.337 CC(=O)OC(C)Sc1ncccc1Br 62a_100009818208_100000696092 [0,1,0,0,0,1|1,0,0]=3 3409 B14R1.337 CC(=O)OC(C)Sc1ncccc1C 62a_100000751373_100009818208 [0,1,0,0,0,1|1,0,0]=3 3410 B14R1.337 CC(=O)OC(C)Sc1ncccc1C 62a_100009818208_100000751373 [0,1,0,0,0,1|1,0,0]=3 3411 B14R1.337 CC(=O)OC(C)Sc1ncccc1Cl 62a_100009818208_100011356963 [0,1,0,0,0,1|1,0,0]=3 3412 B14R1.337 CC(=O)OC(C)Sc1ncccc1Cl 62a_100011356963_100009818208 [0,1,0,0,0,1|1,0,0]=3 3413 B14R1.337 CC(=O)OC(C)Sc1ncccc1F 62a_100000685392_100009818208 [0,1,0,0,0,1|1,0,0]=3 3414 B14R1.337 CC(=O)OC(C)Sc1ncccc1F 62a_100009818208_100000685392 [0,1,0,0,0,1|1,0,0]=3 3415 B14R1.337 CC(=O)OC(C)Sc1ncccc1N 62a_100000688686_100009818208 [0,1,0,0,0,1|1,0,0]=3 3416 B14R1.337 CC(=O)OC(C)Sc1ncccc1N 62a_100009818208_100000688686 [0,1,0,0,0,1|1,0,0]=3 3417 B14R1.337 CC(=O)OC(C)Sc1ncccc1O 62a_100000034122_100009818208 [0,1,0,0,0,1|1,0,0]=3 3418 B14R1.337 CC(=O)OC(C)Sc1ncccc1O 62a_100009818208_100000034122 [0,1,0,0,0,1|1,0,0]=3 3419 B14R1.337 CC(=O)OC(C)Sc1nccnc1C 62a_100009818208_100011999405 [0,1,0,0,0,1|2,0,0]=4 3420 B14R1.337 CC(=O)OC(C)Sc1nccnc1C 62a_100011999405_100009818208 [0,1,0,0,0,1|2,0,0]=4 3421 B14R1.337 CC(=O)OC(C)Sc1nccnc1Cl 62a_100009818208_100010886584 [0,1,0,0,0,1|2,0,0]=4 3422 B14R1.337 CC(=O)OC(C)Sc1nccnc1Cl 62a_100010886584_100009818208 [0,1,0,0,0,1|2,0,0]=4 3423 B14R1.337 CC(=O)OC(C)Sc1nccnc1F 62a_100009818208_200010125657 [0,1,0,0,0,1|2,0,0]=4 3424 B14R1.337 CC(=O)OC(C)Sc1nccnc1F 62a_200010125657_100009818208 [0,1,0,0,0,1|2,0,0]=4 3425 B14R1.337 CC(=O)OC(C)Sc1nccnc1N 62a_100000747729_100009818208 [0,1,0,0,0,1|2,0,0]=4 3426 B14R1.337 CC(=O)OC(C)Sc1nccnc1N 62a_100009818208_100000747729 [0,1,0,0,0,1|2,0,0]=4 3427 B14R1.337 CC(=O)OC(C)Sc1ncncc1C 62a_100009818208_100011998708 [0,1,0,0,0,1|2,0,0]=4 3428 B14R1.337 CC(=O)OC(C)Sc1ncncc1C 62a_100011998708_100009818208 [0,1,0,0,0,1|2,0,0]=4 3429 B14R1.337 CC(=O)OC(C)Sc1ncncc1F 62a_100000069762_100009818208 [0,1,0,0,0,1|2,0,0]=4 3430 B14R1.337 CC(=O)OC(C)Sc1ncncc1F 62a_100009818208_100000069762 [0,1,0,0,0,1|2,0,0]=4 3431 B14R1.337 CC(=O)OC(C)Sc1ncncc1N 62a_100000709731_100009818208 [0,1,0,0,0,1|2,0,0]=4 3432 B14R1.337 CC(=O)OC(C)Sc1ncncc1N 62a_100009818208_100000709731 [0,1,0,0,0,1|2,0,0]=4 3433 B14R1.337 CC(=O)OC(C)Sc1nnccc1C 62a_100009818208_100000089043 [0,1,0,0,0,1|2,0,0]=4 3434 B14R1.337 CN(CC(=O)[13CH3])Cc1ccccc1F 1458a_100015184060_200025704644 [0,1,0,0,0,1|2,0,0]=4 3435 B14R1.425 C=C(C)C(=O)C(C)Cc1ccccc1 1458a_100000185857_200011218536 [0,1,0,0,0,1|2,0,0]=4 3436 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 1458a_100000757622_200000210301 [0,1,0,0,0,1|2,0,0]=4 3437 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100009814033 [0,1,0,0,0,1|2,0,0]=4 3438 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100009814033 [0,1,0,0,0,1|2,0,0]=4 3439 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 11a_200011351704_100015343762 [0,1,0,0,0,1|2,0,0]=4 3440 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 1626a_200011351704_100015343762 [0,1,0,0,0,1|2,0,0]=4 3441 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 240690a_200011351704_100015343762 [0,1,0,0,0,1|2,0,0]=4 3442 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 527a_200011351704_100103153847 [0,1,0,0,0,1|2,0,0]=4 3443 B14R1.425 CC(C(=O)[13CH3])N(C)Cc1ccccc1 1458a_100000757622_200025704644 [0,1,0,0,0,1|2,0,0]=4 3444 B14R1.433 CC(Cc1ccccc1)OC(C)(C)C 34a_100000748627_100000210625 [0,1,0,0,0,1|1,0,1]=4 3445 B14R1.433 CC(Cc1ccccc1)OC(C)(C)C 34a_100015890283_200011218536 [0,1,0,0,0,1|1,0,1]=4 3446 B14R1.433 CC(Cc1ccccc1)OC(C)(C)C 7a_100015890283_200011218536 [0,1,0,0,0,1|1,0,1]=4 3447 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 11a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 3448 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 3449 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 3450 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 527a_100000746547_100103153847 [0,1,0,0,0,1|1,0,1]=4 3451 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,1,0,0,0,1|1,0,0]=3 3452 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,1,0,0,0,1|1,0,0]=3 3453 B14R1.549 CC(=O)NC(CO)Cc1cccnc1 240690a_100000717814_100015343762 [0,1,0,0,0,1|2,0,0]=4 3454 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 240690a_100000717866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3455 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 527a_100000717866_100103153847 [0,1,0,0,0,1|2,0,0]=4 3456 B14R1.549 CC(C)OC(CN)Cc1ccccc1 34a_100000752270_100000210206 [0,1,0,0,0,1|1,0,1]=4 3457 B14R1.549 CC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210206 [0,1,0,0,0,1|1,0,1]=4 3458 B14R1.549 CCC(Cc1ccccc1)OC(C)C 7a_100000760156_100000210206 [0,1,0,0,0,1|1,0,1]=4 3459 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,1,0,0,0,1|2,0,0]=4 3460 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,1,0,0,0,1|2,0,0]=4 3461 B14R1.698 CC(=O)CC(C)Oc1ccc(cc1)F 1458a_100000070787_100010228477 [0,1,0,0,0,1|1,0,0]=3 3462 B14R1.698 CC(=O)CC(C)Sc1ccc(cc1)Cl 1458a_100011219718_200000210301 [0,1,0,0,0,1|1,0,0]=3 3463 B14R1.698 CC(=O)CN(C)Cc1ccc(cc1)C 1458a_100015185648_200000210301 [0,1,0,0,0,1|2,0,0]=4 3464 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,1,0,0,0,1|1,0,0]=3 3465 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,1,0,0,0,1|1,0,0]=3 3466 B14R1.698 CC(=O)OC(C)Sc1cc[n+](cc1)[O-] 62a_100009818208_100000039755 [0,1,0,0,0,1|1,0,0]=3 3467 B14R1.698 CC(=O)OC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100009818208 [0,1,0,0,0,1|1,0,0]=3 3468 B14R1.698 CC(=O)OC(C)Sc1ccc(=O)[nH]c1 62a_100009818208_100000212171 [0,1,0,0,0,1|1,0,0]=3 3469 B14R1.698 CC(=O)OC(C)Sc1ccc(=O)[nH]n1 62a_100009818208_100009820020 [0,1,0,0,0,1|2,0,0]=4 3470 B14R1.698 CC(=O)OC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100009818208 [0,1,0,0,0,1|2,0,0]=4 3471 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Br 62a_100000752885_100009818208 [0,1,0,0,0,1|0,0,0]=2 3472 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Br 62a_100009818208_100000752885 [0,1,0,0,0,1|0,0,0]=2 3473 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)C 62a_100000186775_100009818208 [0,1,0,0,0,1|0,0,0]=2 3474 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)C 62a_100009818208_100000186775 [0,1,0,0,0,1|0,0,0]=2 3475 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009818208 [0,1,0,0,0,1|0,0,0]=2 3476 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)Cl 62a_100009818208_100000755918 [0,1,0,0,0,1|0,0,0]=2 3477 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)F 62a_100000211213_100009818208 [0,1,0,0,0,1|0,0,0]=2 3478 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)F 62a_100009818208_100000211213 [0,1,0,0,0,1|0,0,0]=2 3479 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)N 62a_100000185761_100009818208 [0,1,0,0,0,1|0,0,0]=2 3480 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)N 62a_100009818208_100000185761 [0,1,0,0,0,1|0,0,0]=2 3481 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)O 62a_100009818208_100000185759 [0,1,0,0,0,1|0,0,0]=2 3482 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)Br 62a_100000686858_100009818208 [0,1,0,0,0,1|1,0,0]=3 3483 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)Br 62a_100009818208_100000686858 [0,1,0,0,0,1|1,0,0]=3 3484 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)C 62a_100009818208_100000754016 [0,1,0,0,0,1|1,0,0]=3 3485 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)C 62a_100011192072_100009818208 [0,1,0,0,0,1|1,0,0]=3 3486 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)Cl 62a_100009818208_100011356976 [0,1,0,0,0,1|1,0,0]=3 3487 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)Cl 62a_100011356976_100009818208 [0,1,0,0,0,1|1,0,0]=3 3488 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)F 62a_100000744514_100009818208 [0,1,0,0,0,1|1,0,0]=3 3489 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)F 62a_100009818208_100000744514 [0,1,0,0,0,1|1,0,0]=3 3490 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)N 62a_100000737798_100009818208 [0,1,0,0,0,1|1,0,0]=3 3491 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)N 62a_100009818208_100000737798 [0,1,0,0,0,1|1,0,0]=3 3492 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)O 62a_100000685995_100009818208 [0,1,0,0,0,1|1,0,0]=3 3493 B14R1.698 CC(=O)OC(C)Sc1ccc(cn1)O 62a_100009818208_100000744096 [0,1,0,0,0,1|1,0,0]=3 3494 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)Br 62a_100009814638_100009818208 [0,1,0,0,0,1|1,0,0]=3 3495 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)Br 62a_100009818208_100009814638 [0,1,0,0,0,1|1,0,0]=3 3496 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)C 62a_100000751577_100009818208 [0,1,0,0,0,1|1,0,0]=3 3497 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)C 62a_100009818208_100000751577 [0,1,0,0,0,1|1,0,0]=3 3498 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)Cl 62a_100000034144_100009818208 [0,1,0,0,0,1|1,0,0]=3 3499 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)Cl 62a_100009818208_100000034144 [0,1,0,0,0,1|1,0,0]=3 3500 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)F 62a_100000042367_100009818208 [0,1,0,0,0,1|1,0,0]=3 3501 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)F 62a_100009818208_100000042367 [0,1,0,0,0,1|1,0,0]=3 3502 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)N 62a_100000187370_100009818208 [0,1,0,0,0,1|1,0,0]=3 3503 B14R1.698 CC(=O)OC(C)Sc1ccc(nc1)N 62a_100009818208_100000187370 [0,1,0,0,0,1|1,0,0]=3 3504 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)C 62a_100000744512_100009818208 [0,1,0,0,0,1|2,0,0]=4 3505 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)C 62a_100009818208_100000744512 [0,1,0,0,0,1|2,0,0]=4 3506 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)Cl 62a_100000068654_100009818208 [0,1,0,0,0,1|2,0,0]=4 3507 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)Cl 62a_100009818208_100000068654 [0,1,0,0,0,1|2,0,0]=4 3508 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)N 62a_100009818208_100010219413 [0,1,0,0,0,1|2,0,0]=4 3509 B14R1.698 CC(=O)OC(C)Sc1ccc(nn1)N 62a_100010219413_100009818208 [0,1,0,0,0,1|2,0,0]=4 3510 B14R1.698 CC(=O)OC(C)Sc1cnc(=O)[nH]c1 62a_100009818208_102495366499 [0,1,0,0,0,1|2,0,0]=4 3511 B14R1.698 CC(=O)OC(C)Sc1cnc(=O)[nH]c1 62a_102495366499_100009818208 [0,1,0,0,0,1|2,0,0]=4 3512 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)Br 62a_100009818208_100010187541 [0,1,0,0,0,1|2,0,0]=4 3513 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)Br 62a_100010187541_100009818208 [0,1,0,0,0,1|2,0,0]=4 3514 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)C 62a_100009818208_100011999403 [0,1,0,0,0,1|2,0,0]=4 3515 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)C 62a_100011999403_100009818208 [0,1,0,0,0,1|2,0,0]=4 3516 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)Cl 62a_100009818208_100010214907 [0,1,0,0,0,1|2,0,0]=4 3517 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)Cl 62a_100010214907_100009818208 [0,1,0,0,0,1|2,0,0]=4 3518 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)F 62a_100009818208_100009856528 [0,1,0,0,0,1|2,0,0]=4 3519 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)F 62a_100009856528_100009818208 [0,1,0,0,0,1|2,0,0]=4 3520 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)N 62a_100000744751_100009818208 [0,1,0,0,0,1|2,0,0]=4 3521 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)N 62a_100009818208_100000744751 [0,1,0,0,0,1|2,0,0]=4 3522 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)O 62a_100009818208_100015839800 [0,1,0,0,0,1|2,0,0]=4 3523 B14R1.698 CC(=O)OC(C)Sc1cnc(cn1)O 62a_100011934580_100009818208 [0,1,0,0,0,1|2,0,0]=4 3524 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)Br 62a_100009818208_200012349914 [0,1,0,0,0,1|2,0,0]=4 3525 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)Br 62a_200012349914_100009818208 [0,1,0,0,0,1|2,0,0]=4 3526 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)C 62a_100000686985_100009818208 [0,1,0,0,0,1|2,0,0]=4 3527 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)C 62a_100009818208_100000686985 [0,1,0,0,0,1|2,0,0]=4 3528 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)Cl 62a_100000059775_100009818208 [0,1,0,0,0,1|2,0,0]=4 3529 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)Cl 62a_100009818208_100000059775 [0,1,0,0,0,1|2,0,0]=4 3530 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)F 62a_100000685262_100009818208 [0,1,0,0,0,1|2,0,0]=4 3531 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)F 62a_100009818208_100000685262 [0,1,0,0,0,1|2,0,0]=4 3532 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)N 62a_100000766020_100009818208 [0,1,0,0,0,1|2,0,0]=4 3533 B14R1.698 CC(=O)OC(C)Sc1cnc(nc1)N 62a_100009818208_100000766020 [0,1,0,0,0,1|2,0,0]=4 3534 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)Br 62a_100000690281_100009818208 [0,1,0,0,0,1|2,0,0]=4 3535 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)Br 62a_100009818208_100000690281 [0,1,0,0,0,1|2,0,0]=4 3536 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)C 62a_100000061069_100009818208 [0,1,0,0,0,1|2,0,0]=4 3537 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)C 62a_100009818208_100000061069 [0,1,0,0,0,1|2,0,0]=4 3538 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)Cl 62a_100009818208_100011356929 [0,1,0,0,0,1|2,0,0]=4 3539 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)Cl 62a_100011356929_100009818208 [0,1,0,0,0,1|2,0,0]=4 3540 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)F 62a_100000685220_100009818208 [0,1,0,0,0,1|2,0,0]=4 3541 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)F 62a_100009818208_100000685220 [0,1,0,0,0,1|2,0,0]=4 3542 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)N 62a_100000068403_100009818208 [0,1,0,0,0,1|2,0,0]=4 3543 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)N 62a_100009818208_100000068403 [0,1,0,0,0,1|2,0,0]=4 3544 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)O 62a_100000730009_100009818208 [0,1,0,0,0,1|2,0,0]=4 3545 B14R1.698 CC(=O)OC(C)Sc1ncc(cn1)O 62a_100009818208_100000092845 [0,1,0,0,0,1|2,0,0]=4 3546 B14R1.698 CC(C)OC(C)Cc1ccc(cc1)F 34a_100011351027_100000210206 [0,1,0,0,0,1|1,0,1]=4 3547 B14R1.698 CC(C)OC(C)Cc1ccc(cc1)F 7a_100011351027_100000210206 [0,1,0,0,0,1|1,0,1]=4 3548 B14R1.698 CC(CC(=O)[13CH3])Sc1ccc(cc1)Cl 1458a_100011219718_200025704644 [0,1,0,0,0,1|1,0,0]=3 3549 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)[13CH3] 1458a_100015185648_200025704644 [0,1,0,0,0,1|2,0,0]=4 3550 B14R1.743 C#CC(C)OC(C)Cc1ccccc1 34a_100000748627_200000035995 [0,1,0,0,0,1|1,0,1]=4 3551 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 34a_100009815206_200011218536 [0,1,0,0,0,1|1,0,1]=4 3552 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 7a_100009815206_200011218536 [0,1,0,0,0,1|1,0,1]=4 3553 B14R1.743 C=CC(C)OC(C)Cc1ccccc1 34a_100000695699_200011218536 [0,1,0,0,0,1|1,0,1]=4 3554 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 34a_100011218135_200011218536 [0,1,0,0,0,1|1,0,1]=4 3555 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 7a_100000748627_100000703298 [0,1,0,0,0,1|1,0,1]=4 3556 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [0,1,0,0,0,1|1,0,1]=4 3557 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [0,1,0,0,0,1|1,0,1]=4 3558 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,1,0,0,0,1|1,0,1]=4 3559 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [0,1,0,0,0,1|0,0,2]=4 3560 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [0,1,0,0,0,1|0,0,2]=4 3561 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 240690a_100000238496_100000210174 [0,1,0,0,0,1|2,0,0]=4 3562 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 527a_100000238496_100000210174 [0,1,0,0,0,1|2,0,0]=4 3563 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 240690a_100011207255_100000210174 [0,1,0,0,0,1|2,0,0]=4 3564 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 527a_100011207255_100000210174 [0,1,0,0,0,1|2,0,0]=4 3565 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210202 [0,1,0,0,0,1|2,0,0]=4 3566 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747405 [0,1,0,0,0,1|2,0,0]=4 3567 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 11a_100000238496_100000210414 [0,1,0,0,0,1|2,0,0]=4 3568 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100000210414 [0,1,0,0,0,1|2,0,0]=4 3569 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100000210414 [0,1,0,0,0,1|2,0,0]=4 3570 B14R1.743 CCC(=O)NC(C)Cc1ccccn1 527a_100000238496_100000210414 [0,1,0,0,0,1|2,0,0]=4 3571 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 11a_100011207255_100000210414 [0,1,0,0,0,1|2,0,0]=4 3572 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100000210414 [0,1,0,0,0,1|2,0,0]=4 3573 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100000210414 [0,1,0,0,0,1|2,0,0]=4 3574 B14R1.743 CCC(=O)NC(C)Cc1cccnc1 527a_100011207255_100000210414 [0,1,0,0,0,1|2,0,0]=4 3575 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,1,0,0,0,1|1,0,1]=4 3576 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,1,0,0,0,1|1,0,1]=4 3577 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,1,0,0,0,1|1,0,1]=4 3578 B14R1.743 CN(CC(=O)CF)Cc1ccccc1 1458a_100000745601_100015361967 [0,1,0,0,0,1|2,0,0]=4 3579 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 11a_106832991635_100000745601 [0,1,0,0,0,1|2,0,0]=4 3580 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000183359 [0,1,0,0,0,1|2,0,0]=4 3581 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 2230a_100000189611_100015291786 [0,1,0,0,0,1|2,0,0]=4 3582 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 240690a_100102657272_100000745601 [0,1,0,0,0,1|2,0,0]=4 3583 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000183359 [0,1,0,0,0,1|2,0,0]=4 3584 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 270004a_100000189611_100015611070 [0,1,0,0,0,1|2,0,0]=4 3585 B14R1.743 CNC(=O)CN(C)Cc1ccccc1 527a_100102657272_100000745601 [0,1,0,0,0,1|2,0,0]=4 3586 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 2708a_100000238496_106832991635 [0,1,0,0,0,1|2,0,0]=4 3587 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 2708a_100102657272_100000238496 [0,1,0,0,0,1|2,0,0]=4 3588 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 273464a_100000238496_100102657272 [0,1,0,0,0,1|2,0,0]=4 3589 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 273464a_100102657272_100000238496 [0,1,0,0,0,1|2,0,0]=4 3590 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 512a_100000238496_100102657272 [0,1,0,0,0,1|2,0,0]=4 3591 B14R1.743 CNC(=O)NC(C)Cc1ccccn1 512a_106832991638_100000238496 [0,1,0,0,0,1|2,0,0]=4 3592 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 2708a_100011207255_106832991635 [0,1,0,0,0,1|2,0,0]=4 3593 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 2708a_100102657272_100011207255 [0,1,0,0,0,1|2,0,0]=4 3594 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 273464a_100011207255_100102657272 [0,1,0,0,0,1|2,0,0]=4 3595 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 273464a_100102657272_100011207255 [0,1,0,0,0,1|2,0,0]=4 3596 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 512a_100011207255_100102657272 [0,1,0,0,0,1|2,0,0]=4 3597 B14R1.743 CNC(=O)NC(C)Cc1cccnc1 512a_106832991638_100011207255 [0,1,0,0,0,1|2,0,0]=4 3598 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,1,0,0,0,1|1,0,0]=3 3599 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,1,0,0,0,1|1,0,0]=3 3600 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,1,0,0,0,1|1,0,0]=3 3601 B14R1.743 COC(=O)CC(C)Oc1cccnc1 34a_100000210849_100009817358 [0,1,0,0,0,1|2,0,0]=4 3602 B14R1.743 COC(=O)CC(C)Oc1cccnc1 7a_100000210849_100009817358 [0,1,0,0,0,1|2,0,0]=4 3603 B14R1.743 COC(=O)CC(C)Oc1ccncc1 34a_100000212176_100009817358 [0,1,0,0,0,1|2,0,0]=4 3604 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,1,0,0,0,1|1,0,0]=3 3605 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,1,0,0,0,1|1,0,0]=3 3606 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100009817358_100011216584 [0,1,0,0,0,1|2,0,0]=4 3607 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100011216584_100009817358 [0,1,0,0,0,1|2,0,0]=4 3608 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100000210063_100009817358 [0,1,0,0,0,1|2,0,0]=4 3609 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100009817358_100000210063 [0,1,0,0,0,1|2,0,0]=4 3610 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100000728582_100009817358 [0,1,0,0,0,1|2,0,0]=4 3611 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100009817358_100000728582 [0,1,0,0,0,1|2,0,0]=4 3612 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 3613 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,1,0,0,0,1|2,0,0]=4 3614 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 3615 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 3616 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 3617 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,1,0,0,0,1|2,0,0]=4 3618 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 3619 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 3620 B14R1.1485 CC(C)OC(C)(C)Cc1ccccc1 7a_100011215222_100000210206 [0,1,0,0,0,1|1,0,1]=4 3621 B14R1.5978 CC(=O)OC(C)Sc1c[n+](ccn1)[O-] 62a_100009818208_100009880115 [0,1,0,0,0,1|2,0,0]=4 3622 B14R1.5978 CC(=O)OC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100009818208 [0,1,0,0,0,1|2,0,0]=4 3623 B14R1.5978 CC(=O)OC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100009818208 [0,1,0,0,0,1|1,0,0]=3 3624 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)C 62a_100000750283_100009818208 [0,1,0,0,0,1|1,0,0]=3 3625 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)C 62a_100009818208_100000750283 [0,1,0,0,0,1|1,0,0]=3 3626 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)Cl 62a_100009818208_100010167805 [0,1,0,0,0,1|1,0,0]=3 3627 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)Cl 62a_100010167805_100009818208 [0,1,0,0,0,1|1,0,0]=3 3628 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)F 62a_100000764206_100009818208 [0,1,0,0,0,1|1,0,0]=3 3629 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)F 62a_100009818208_100000764206 [0,1,0,0,0,1|1,0,0]=3 3630 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)N 62a_100009814236_100009818208 [0,1,0,0,0,1|1,0,0]=3 3631 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)N 62a_100009818208_100009814236 [0,1,0,0,0,1|1,0,0]=3 3632 B14R1.5978 CC(=O)OC(C)Sc1cc(ccn1)O 62a_100009818208_100000762945 [0,1,0,0,0,1|1,0,0]=3 3633 B14R1.5978 CC(=O)OC(C)Sc1cc(cnn1)C 62a_100000070100_100009818208 [0,1,0,0,0,1|2,0,0]=4 3634 B14R1.5978 CC(=O)OC(C)Sc1cc(cnn1)C 62a_100009818208_100000070100 [0,1,0,0,0,1|2,0,0]=4 3635 B14R1.5978 CC(=O)OC(C)Sc1cc(cnn1)N 62a_100009818208_100011996757 [0,1,0,0,0,1|2,0,0]=4 3636 B14R1.5978 CC(=O)OC(C)Sc1cc(cnn1)N 62a_100011996757_100009818208 [0,1,0,0,0,1|2,0,0]=4 3637 B14R1.5978 CC(=O)OC(C)Sc1cc(cnn1)O 62a_100009818208_200010734679 [0,1,0,0,0,1|2,0,0]=4 3638 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)C 62a_100000744208_100009818208 [0,1,0,0,0,1|2,0,0]=4 3639 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)C 62a_100009818208_100000744208 [0,1,0,0,0,1|2,0,0]=4 3640 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)Cl 62a_100009818208_100010161198 [0,1,0,0,0,1|2,0,0]=4 3641 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)Cl 62a_100010161198_100009818208 [0,1,0,0,0,1|2,0,0]=4 3642 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)F 62a_100009818208_200009880791 [0,1,0,0,0,1|2,0,0]=4 3643 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)F 62a_200009880791_100009818208 [0,1,0,0,0,1|2,0,0]=4 3644 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)N 62a_100000701291_100009818208 [0,1,0,0,0,1|2,0,0]=4 3645 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)N 62a_100009818208_100000701291 [0,1,0,0,0,1|2,0,0]=4 3646 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)O 62a_100009818208_100000765262 [0,1,0,0,0,1|2,0,0]=4 3647 B14R1.5978 CC(=O)OC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100009818208 [0,1,0,0,0,1|1,0,0]=3 3648 B14R1.5978 CC(=O)OC(C)Sc1cc[nH]c(=O)c1 62a_100009818208_100009816521 [0,1,0,0,0,1|1,0,0]=3 3649 B14R1.5978 CC(=O)OC(C)Sc1cc[nH]c(=O)n1 62a_100009818208_200000134032 [0,1,0,0,0,1|2,0,0]=4 3650 B14R1.5978 CC(=O)OC(C)Sc1ccc[n+](c1)C 62a_100009818208_100009996589 [0,1,0,0,0,1|1,0,0]=3 3651 B14R1.5978 CC(=O)OC(C)Sc1ccc[n+](c1)C 62a_100009996589_100009818208 [0,1,0,0,0,1|1,0,0]=3 3652 B14R1.5978 CC(=O)OC(C)Sc1ccc[n+](c1)[O-] 62a_100009818208_100009815978 [0,1,0,0,0,1|1,0,0]=3 3653 B14R1.5978 CC(=O)OC(C)Sc1cccc(=O)[nH]1 62a_100009818208_100000752884 [0,1,0,0,0,1|1,0,0]=3 3654 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Br 62a_100000691529_100009818208 [0,1,0,0,0,1|0,0,0]=2 3655 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Br 62a_100009818208_100000691529 [0,1,0,0,0,1|0,0,0]=2 3656 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)C 62a_100009818208_100011215228 [0,1,0,0,0,1|0,0,0]=2 3657 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)C 62a_100011215228_100009818208 [0,1,0,0,0,1|0,0,0]=2 3658 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Cl 62a_100000699651_100009818208 [0,1,0,0,0,1|0,0,0]=2 3659 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)Cl 62a_100009818208_100000699651 [0,1,0,0,0,1|0,0,0]=2 3660 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)F 62a_100000685547_100009818208 [0,1,0,0,0,1|0,0,0]=2 3661 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)F 62a_100009818208_100000685547 [0,1,0,0,0,1|0,0,0]=2 3662 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)N 62a_100000210019_100009818208 [0,1,0,0,0,1|0,0,0]=2 3663 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)N 62a_100009818208_100000210019 [0,1,0,0,0,1|0,0,0]=2 3664 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)O 62a_100009818208_100000211634 [0,1,0,0,0,1|0,0,0]=2 3665 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)[S] 62a_100009818208_114929384022 [0,1,0,0,0,1|0,0,0]=2 3666 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)[S] 62a_114929384022_100009818208 [0,1,0,0,0,1|0,0,0]=2 3667 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)Br 62a_100000684672_100009818208 [0,1,0,0,0,1|1,0,0]=3 3668 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)Br 62a_100009818208_100000684672 [0,1,0,0,0,1|1,0,0]=3 3669 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)C 62a_100000742759_100009818208 [0,1,0,0,0,1|1,0,0]=3 3670 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)C 62a_100009818208_100000742759 [0,1,0,0,0,1|1,0,0]=3 3671 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)Cl 62a_100000051397_100009818208 [0,1,0,0,0,1|1,0,0]=3 3672 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)Cl 62a_100009818208_100000051397 [0,1,0,0,0,1|1,0,0]=3 3673 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)F 62a_100009815982_100009818208 [0,1,0,0,0,1|1,0,0]=3 3674 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)F 62a_100009818208_100009815982 [0,1,0,0,0,1|1,0,0]=3 3675 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)N 62a_100000740741_100009818208 [0,1,0,0,0,1|1,0,0]=3 3676 B14R1.5978 CC(=O)OC(C)Sc1cccc(n1)N 62a_100009818208_100000740741 [0,1,0,0,0,1|1,0,0]=3 3677 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)Br 62a_100009814637_100009818208 [0,1,0,0,0,1|1,0,0]=3 3678 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)Br 62a_100009818208_100009814637 [0,1,0,0,0,1|1,0,0]=3 3679 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)C 62a_100000758586_100009818208 [0,1,0,0,0,1|1,0,0]=3 3680 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)C 62a_100009818208_100000758586 [0,1,0,0,0,1|1,0,0]=3 3681 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)Cl 62a_100000035001_100009818208 [0,1,0,0,0,1|1,0,0]=3 3682 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)Cl 62a_100009818208_100000035001 [0,1,0,0,0,1|1,0,0]=3 3683 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)F 62a_100009816116_100009818208 [0,1,0,0,0,1|1,0,0]=3 3684 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)F 62a_100009818208_100009816116 [0,1,0,0,0,1|1,0,0]=3 3685 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)N 62a_100000049665_100009818208 [0,1,0,0,0,1|1,0,0]=3 3686 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)N 62a_100009818208_100000049665 [0,1,0,0,0,1|1,0,0]=3 3687 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)C 62a_100000749937_100009818208 [0,1,0,0,0,1|2,0,0]=4 3688 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)C 62a_100009818208_100000749937 [0,1,0,0,0,1|2,0,0]=4 3689 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)Cl 62a_100009818208_100010154678 [0,1,0,0,0,1|2,0,0]=4 3690 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)Cl 62a_100010154678_100009818208 [0,1,0,0,0,1|2,0,0]=4 3691 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)N 62a_100000055538_100009818208 [0,1,0,0,0,1|2,0,0]=4 3692 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)N 62a_100009818208_100000055538 [0,1,0,0,0,1|2,0,0]=4 3693 B14R1.5978 CC(=O)OC(C)Sc1cn[nH]c(=O)c1 62a_100009818208_100010197405 [0,1,0,0,0,1|2,0,0]=4 3694 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)Br 62a_100000728054_100009818208 [0,1,0,0,0,1|1,0,0]=3 3695 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)Br 62a_100009818208_100000728054 [0,1,0,0,0,1|1,0,0]=3 3696 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)C 62a_100000760492_100009818208 [0,1,0,0,0,1|1,0,0]=3 3697 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)C 62a_100009818208_100000760492 [0,1,0,0,0,1|1,0,0]=3 3698 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)Cl 62a_100000049639_100009818208 [0,1,0,0,0,1|1,0,0]=3 3699 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)Cl 62a_100009818208_100000049639 [0,1,0,0,0,1|1,0,0]=3 3700 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)F 62a_100000744099_100009818208 [0,1,0,0,0,1|1,0,0]=3 3701 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)F 62a_100009818208_100000744099 [0,1,0,0,0,1|1,0,0]=3 3702 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)N 62a_100000687067_100009818208 [0,1,0,0,0,1|1,0,0]=3 3703 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)N 62a_100009818208_100000687067 [0,1,0,0,0,1|1,0,0]=3 3704 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)O 62a_100000754920_100009818208 [0,1,0,0,0,1|1,0,0]=3 3705 B14R1.5978 CC(=O)OC(C)Sc1cncc(c1)O 62a_100009818208_100000754920 [0,1,0,0,0,1|1,0,0]=3 3706 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)C 62a_100000754123_100009818208 [0,1,0,0,0,1|2,0,0]=4 3707 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)C 62a_100009818208_100000754123 [0,1,0,0,0,1|2,0,0]=4 3708 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)Cl 62a_100009818208_100010892449 [0,1,0,0,0,1|2,0,0]=4 3709 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)Cl 62a_100010892449_100009818208 [0,1,0,0,0,1|2,0,0]=4 3710 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)F 62a_100009818208_200009863489 [0,1,0,0,0,1|2,0,0]=4 3711 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)F 62a_200009863489_100009818208 [0,1,0,0,0,1|2,0,0]=4 3712 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)N 62a_100000747728_100009818208 [0,1,0,0,0,1|2,0,0]=4 3713 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)N 62a_100009818208_100000747728 [0,1,0,0,0,1|2,0,0]=4 3714 B14R1.5978 CC(=O)OC(C)Sc1cncc(n1)O 62a_100009818208_100011269956 [0,1,0,0,0,1|2,0,0]=4 3715 B14R1.5978 CC(=O)OC(C)Sc1cnnc(c1)N 62a_100000130277_100009818208 [0,1,0,0,0,1|2,0,0]=4 3716 B14R1.5978 CC(=O)OC(C)Sc1cnnc(c1)N 62a_100009818208_100000130277 [0,1,0,0,0,1|2,0,0]=4 3717 B14R1.5978 CC(=O)OC(C)Sc1nccc(n1)C 62a_100009818208_100011243806 [0,1,0,0,0,1|2,0,0]=4 3718 B14R1.5978 CC(=O)OC(C)Sc1nccc(n1)C 62a_100011243806_100009818208 [0,1,0,0,0,1|2,0,0]=4 3719 B14R1.5978 CC(=O)OC(C)Sc1nccc(n1)N 62a_100000757536_100009818208 [0,1,0,0,0,1|2,0,0]=4 3720 B14R1.5978 CC(=O)OC(C)Sc1nccc(n1)N 62a_100009818208_100000757536 [0,1,0,0,0,1|2,0,0]=4 3721 B14R1.5978 CC(=O)OC(C)Sc1nccc(n1)O 62a_100009818208_100011649813 [0,1,0,0,0,1|2,0,0]=4 3722 B14R1.10 C#CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_200000035995 [0,2,0,0,0,0|1,0,1]=4 3723 B14R1.10 C#CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_200000035995 [0,2,0,0,0,0|1,0,1]=4 3724 B14R1.10 C#CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_200000035995 [0,2,0,0,0,0|1,0,1]=4 3725 B14R1.10 C#CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000035995 [0,2,0,0,0,0|1,0,1]=4 3726 B14R1.10 C#CC(C)O[C@H](C)c1ccc(cc1)C 34a_100000690690_200000035995 [0,2,0,0,0,0|1,0,1]=4 3727 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)Br 34a_100009815206_100000755118 [0,2,0,0,0,0|1,0,1]=4 3728 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)C 34a_100009815206_100011261388 [0,2,0,0,0,0|1,0,1]=4 3729 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)C 7a_100009815206_100011261388 [0,2,0,0,0,0|1,0,1]=4 3730 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)Cl 7a_100009815206_100000684792 [0,2,0,0,0,0|1,0,1]=4 3731 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)F 34a_100009815206_100000743420 [0,2,0,0,0,0|1,0,1]=4 3732 B14R1.10 C#C[C@@H](C)OC(C)c1ccc(cc1)F 7a_100009815206_100000743420 [0,2,0,0,0,0|1,0,1]=4 3733 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100000185746 [0,2,0,0,0,0|1,0,1]=4 3734 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_200121576911 [0,2,0,0,0,0|1,0,1]=4 3735 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100000185746 [0,2,0,0,0,0|1,0,1]=4 3736 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_200121576911 [0,2,0,0,0,0|1,0,1]=4 3737 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_200121576911 [0,2,0,0,0,0|1,0,1]=4 3738 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100000185746 [0,2,0,0,0,0|1,0,1]=4 3739 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_200121576911 [0,2,0,0,0,0|1,0,1]=4 3740 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100000185746 [0,2,0,0,0,0|1,0,1]=4 3741 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_200121576911 [0,2,0,0,0,0|1,0,1]=4 3742 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100000185746 [0,2,0,0,0,0|1,0,1]=4 3743 B14R1.10 C=CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_200121576911 [0,2,0,0,0,0|1,0,1]=4 3744 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)Br 34a_100000695699_100000755118 [0,2,0,0,0,0|1,0,1]=4 3745 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)C 34a_100000695699_100011261388 [0,2,0,0,0,0|1,0,1]=4 3746 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)F 34a_100000695699_100000743420 [0,2,0,0,0,0|1,0,1]=4 3747 B14R1.10 CC(C#N)OC(C)c1ccc(cc1)Br 34a_100011218135_100000755118 [0,2,0,0,0,0|1,0,1]=4 3748 B14R1.10 CC(C#N)OC(C)c1ccc(cc1)Br 7a_100000745893_100000703298 [0,2,0,0,0,0|1,0,1]=4 3749 B14R1.10 CC(C#N)OC(C)c1ccc(cc1)F 34a_100011218135_100000743420 [0,2,0,0,0,0|1,0,1]=4 3750 B14R1.10 CC(C#N)OC(C)c1ccc(cc1)F 7a_100000181323_100000703298 [0,2,0,0,0,0|1,0,1]=4 3751 B14R1.10 CC(C#N)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000703298 [0,2,0,0,0,0|1,0,1]=4 3752 B14R1.10 CC(CF)OC(C)c1ccc(cc1)Br 34a_100016041109_100000755118 [0,2,0,0,0,0|1,0,1]=4 3753 B14R1.10 CC(CF)OC(C)c1ccc(cc1)Cl 7a_100016041109_100000684792 [0,2,0,0,0,0|1,0,1]=4 3754 B14R1.10 CC(CF)OC(C)c1ccc(cc1)F 34a_100016041109_100000743420 [0,2,0,0,0,0|1,0,1]=4 3755 B14R1.10 CC(CF)OC(C)c1ccc(cc1)F 7a_100016041109_100000743420 [0,2,0,0,0,0|1,0,1]=4 3756 B14R1.10 CC(CN)OC(C)c1ccc(cc1)Br 34a_100000210904_100000755118 [0,2,0,0,0,0|1,0,1]=4 3757 B14R1.10 CC(CN)OC(C)c1ccc(cc1)F 34a_100000210904_100000743420 [0,2,0,0,0,0|1,0,1]=4 3758 B14R1.10 CC(CO)OC(C)c1ccc(cc1)Br 34a_100000745893_100012180447 [0,2,0,0,0,0|0,0,2]=4 3759 B14R1.10 CC(CO)OC(C)c1ccc(cc1)Br 7a_100000745893_100012180447 [0,2,0,0,0,0|0,0,2]=4 3760 B14R1.10 CC(CO)OC(C)c1ccc(cc1)F 34a_100000181323_100012180447 [0,2,0,0,0,0|0,0,2]=4 3761 B14R1.10 CC(CO)OC(C)c1ccc(cc1)F 7a_100000181323_100012180447 [0,2,0,0,0,0|0,0,2]=4 3762 B14R1.10 CC(CO)OC(C)c1ccc(cc1)N 34a_100011216399_100012180447 [0,2,0,0,0,0|0,0,2]=4 3763 B14R1.10 CC(CO)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100012180447 [0,2,0,0,0,0|0,0,2]=4 3764 B14R1.10 CC(CO)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100012180447 [0,2,0,0,0,0|0,0,2]=4 3765 B14R1.10 CC(NC(=O)CO)c1ccc(cn1)Br 240690a_100000723930_100000210174 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.10 CC(NC(=O)CO)c1ccc(cn1)Br 527a_100000723930_100000210174 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.10 CCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210202 [0,2,0,0,0,0|1,0,0]=3 3768 B14R1.10 CCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210414_200011996143 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747405 [0,2,0,0,0,0|2,0,0]=4 3770 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747405 [0,2,0,0,0,0|2,0,0]=4 3771 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747405 [0,2,0,0,0,0|2,0,0]=4 3772 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747405 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747405 [0,2,0,0,0,0|2,0,0]=4 3774 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747405 [0,2,0,0,0,0|2,0,0]=4 3775 B14R1.10 CCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210414_100000720402 [0,2,0,0,0,0|2,0,0]=4 3776 B14R1.10 CCC(=O)NC(C)c1ccc(cn1)Br 11a_100000723930_100000210414 [0,2,0,0,0,0|2,0,0]=4 3777 B14R1.10 CCC(=O)NC(C)c1ccc(cn1)Br 1626a_100000723930_100000210414 [0,2,0,0,0,0|2,0,0]=4 3778 B14R1.10 CCC(=O)NC(C)c1ccc(cn1)Br 240690a_100000723930_100000210414 [0,2,0,0,0,0|2,0,0]=4 3779 B14R1.10 CCC(=O)NC(C)c1ccc(cn1)Br 527a_100000723930_100000210414 [0,2,0,0,0,0|2,0,0]=4 3780 B14R1.10 CCC(=O)NC(C)c1ccc(nc1)C 11a_100011815741_100000210414 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.10 CCC(=O)NC(C)c1ccc(nc1)C 1626a_100011815741_100000210414 [0,2,0,0,0,0|2,0,0]=4 3782 B14R1.10 CCC(=O)NC(C)c1ccc(nc1)C 240690a_100011815741_100000210414 [0,2,0,0,0,0|2,0,0]=4 3783 B14R1.10 CCC(=O)NC(C)c1ccc(nc1)C 527a_100011815741_100000210414 [0,2,0,0,0,0|2,0,0]=4 3784 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100000210414 [0,2,0,0,0,0|1,0,0]=3 3785 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100000210414 [0,2,0,0,0,0|1,0,0]=3 3786 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100000210414 [0,2,0,0,0,0|1,0,0]=3 3787 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100000210414 [0,2,0,0,0,0|1,0,0]=3 3788 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100000210414 [0,2,0,0,0,0|1,0,0]=3 3789 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100000210414 [0,2,0,0,0,0|1,0,0]=3 3790 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100000210414 [0,2,0,0,0,0|1,0,0]=3 3791 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100000210414 [0,2,0,0,0,0|1,0,0]=3 3792 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100000210414 [0,2,0,0,0,0|1,0,0]=3 3793 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(nc1)Br 11a_100015387476_100000210414 [0,2,0,0,0,0|2,0,0]=4 3794 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(nc1)Br 1626a_100015387476_100000210414 [0,2,0,0,0,0|2,0,0]=4 3795 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(nc1)Br 240690a_100015387476_100000210414 [0,2,0,0,0,0|2,0,0]=4 3796 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(nc1)Br 527a_100015387476_100000210414 [0,2,0,0,0,0|2,0,0]=4 3797 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100000210414 [0,2,0,0,0,0|1,0,0]=3 3798 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100000210414 [0,2,0,0,0,0|1,0,0]=3 3799 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100000210414 [0,2,0,0,0,0|1,0,0]=3 3800 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100000210414 [0,2,0,0,0,0|1,0,0]=3 3801 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100000210414 [0,2,0,0,0,0|1,0,0]=3 3802 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100000210414 [0,2,0,0,0,0|1,0,0]=3 3803 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100000210414 [0,2,0,0,0,0|1,0,0]=3 3804 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100000210414 [0,2,0,0,0,0|1,0,0]=3 3805 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100000210414 [0,2,0,0,0,0|1,0,0]=3 3806 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100000210414 [0,2,0,0,0,0|1,0,0]=3 3807 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100000210414 [0,2,0,0,0,0|1,0,0]=3 3808 B14R1.10 CCC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100000210414 [0,2,0,0,0,0|1,0,0]=3 3809 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100011215416 [0,2,0,0,0,0|1,0,1]=4 3810 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000758301 [0,2,0,0,0,0|1,0,1]=4 3811 B14R1.10 CCC(C)OC(C)c1ccc(cc1)C 7a_100000210228_100011261388 [0,2,0,0,0,0|1,0,1]=4 3812 B14R1.10 CCC(C)OC(C)c1ccc(cc1)Cl 7a_100000210228_100000684792 [0,2,0,0,0,0|1,0,1]=4 3813 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100011215416 [0,2,0,0,0,0|1,0,1]=4 3814 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000758301 [0,2,0,0,0,0|1,0,1]=4 3815 B14R1.10 CCC(C)OC(C)c1ccc(cc1)F 7a_100000210228_100000743420 [0,2,0,0,0,0|1,0,1]=4 3816 B14R1.10 CCC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100011215416 [0,2,0,0,0,0|1,0,1]=4 3817 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011215416 [0,2,0,0,0,0|1,0,1]=4 3818 B14R1.10 CCC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000758301 [0,2,0,0,0,0|1,0,1]=4 3819 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 34a_100000690690_100011215416 [0,2,0,0,0,0|1,0,1]=4 3820 B14R1.10 CCC(C)O[C@H](C)c1ccc(cc1)C 7a_100000690690_100000758301 [0,2,0,0,0,0|1,0,1]=4 3821 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 11a_106832991635_100011240733 [0,2,0,0,0,0|1,0,0]=3 3822 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 1626a_100102657272_100011240733 [0,2,0,0,0,0|1,0,0]=3 3823 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 240690a_100102657272_100011240733 [0,2,0,0,0,0|1,0,0]=3 3824 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 527a_100102657272_100011240733 [0,2,0,0,0,0|1,0,0]=3 3825 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000183359 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000183359 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000183359 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000183359 [0,2,0,0,0,0|2,0,0]=4 3829 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000183359 [0,2,0,0,0,0|2,0,0]=4 3830 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000183359 [0,2,0,0,0,0|2,0,0]=4 3831 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000183359 [0,2,0,0,0,0|2,0,0]=4 3832 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000183359 [0,2,0,0,0,0|2,0,0]=4 3833 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000183359 [0,2,0,0,0,0|2,0,0]=4 3834 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000183359 [0,2,0,0,0,0|2,0,0]=4 3835 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000183359 [0,2,0,0,0,0|2,0,0]=4 3836 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000183359 [0,2,0,0,0,0|2,0,0]=4 3837 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000183359 [0,2,0,0,0,0|2,0,0]=4 3838 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000183359 [0,2,0,0,0,0|2,0,0]=4 3839 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000183359 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000183359 [0,2,0,0,0,0|2,0,0]=4 3841 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000183359 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 2708a_100000723930_106832991635 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 2708a_100102657272_100000723930 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 273464a_100000723930_100102657272 [0,2,0,0,0,0|2,0,0]=4 3845 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 273464a_100102657272_100000723930 [0,2,0,0,0,0|2,0,0]=4 3846 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 512a_100000723930_100102657272 [0,2,0,0,0,0|2,0,0]=4 3847 B14R1.10 CNC(=O)NC(C)c1ccc(cn1)Br 512a_106832991638_100000723930 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 2708a_100011815741_106832991635 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 2708a_100102657272_100011815741 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 273464a_100011815741_100102657272 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 273464a_100102657272_100011815741 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 512a_100011815741_100102657272 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.10 CNC(=O)NC(C)c1ccc(nc1)C 512a_106832991638_100011815741 [0,2,0,0,0,0|2,0,0]=4 3854 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 2708a_100025705893_106832991635 [0,2,0,0,0,0|1,0,0]=3 3855 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 2708a_100102657272_100025705893 [0,2,0,0,0,0|1,0,0]=3 3856 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 273464a_100025705893_100102657272 [0,2,0,0,0,0|1,0,0]=3 3857 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 273464a_100102657272_100025705893 [0,2,0,0,0,0|1,0,0]=3 3858 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 512a_100025705893_100102657272 [0,2,0,0,0,0|1,0,0]=3 3859 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)F 512a_106832991638_100025705893 [0,2,0,0,0,0|1,0,0]=3 3860 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 2708a_100000753911_106832991635 [0,2,0,0,0,0|1,0,0]=3 3861 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 2708a_100102657272_100000753911 [0,2,0,0,0,0|1,0,0]=3 3862 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 273464a_100000753911_100102657272 [0,2,0,0,0,0|1,0,0]=3 3863 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 273464a_100102657272_100000753911 [0,2,0,0,0,0|1,0,0]=3 3864 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 512a_100000753911_100102657272 [0,2,0,0,0,0|1,0,0]=3 3865 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)I 512a_106832991638_100000753911 [0,2,0,0,0,0|1,0,0]=3 3866 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 2708a_100161106496_106832991635 [0,2,0,0,0,0|1,0,0]=3 3867 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100102657272_100161106496 [0,2,0,0,0,0|1,0,0]=3 3868 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100161106496_100102657272 [0,2,0,0,0,0|1,0,0]=3 3869 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_100161106496_100102657272 [0,2,0,0,0,0|1,0,0]=3 3870 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_106832991638_100161106496 [0,2,0,0,0,0|1,0,0]=3 3871 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 2708a_100015387476_106832991635 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 2708a_100102657272_100015387476 [0,2,0,0,0,0|2,0,0]=4 3873 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 273464a_100015387476_100102657272 [0,2,0,0,0,0|2,0,0]=4 3874 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 273464a_100102657272_100015387476 [0,2,0,0,0,0|2,0,0]=4 3875 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 512a_100015387476_100102657272 [0,2,0,0,0,0|2,0,0]=4 3876 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(nc1)Br 512a_106832991638_100015387476 [0,2,0,0,0,0|2,0,0]=4 3877 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 2708a_100000720352_106832991635 [0,2,0,0,0,0|1,0,0]=3 3878 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 2708a_100102657272_100000720352 [0,2,0,0,0,0|1,0,0]=3 3879 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 273464a_100000720352_100102657272 [0,2,0,0,0,0|1,0,0]=3 3880 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 273464a_100102657272_100000720352 [0,2,0,0,0,0|1,0,0]=3 3881 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 512a_100000720352_100102657272 [0,2,0,0,0,0|1,0,0]=3 3882 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Br 512a_106832991638_100000720352 [0,2,0,0,0,0|1,0,0]=3 3883 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 2708a_100016988085_106832991635 [0,2,0,0,0,0|1,0,0]=3 3884 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 2708a_100102657272_100016988085 [0,2,0,0,0,0|1,0,0]=3 3885 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 273464a_100016988085_100102657272 [0,2,0,0,0,0|1,0,0]=3 3886 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 273464a_100102657272_100016988085 [0,2,0,0,0,0|1,0,0]=3 3887 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 512a_100016988085_100102657272 [0,2,0,0,0,0|1,0,0]=3 3888 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)C 512a_106832991638_100016988085 [0,2,0,0,0,0|1,0,0]=3 3889 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 2708a_100015205461_106832991635 [0,2,0,0,0,0|1,0,0]=3 3890 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 2708a_100102657272_100015205461 [0,2,0,0,0,0|1,0,0]=3 3891 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 273464a_100015205461_100102657272 [0,2,0,0,0,0|1,0,0]=3 3892 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 273464a_100102657272_100015205461 [0,2,0,0,0,0|1,0,0]=3 3893 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 512a_100015205461_100102657272 [0,2,0,0,0,0|1,0,0]=3 3894 B14R1.10 CNC(=O)N[C@H](C)c1ccc(cc1)Cl 512a_106832991638_100015205461 [0,2,0,0,0,0|1,0,0]=3 3895 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [0,2,0,0,0,0|2,0,0]=4 3896 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000747449 [0,2,0,0,0,0|2,0,0]=4 3897 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747449 [0,2,0,0,0,0|2,0,0]=4 3898 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000747449 [0,2,0,0,0,0|2,0,0]=4 3899 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000747449 [0,2,0,0,0,0|2,0,0]=4 3900 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747449 [0,2,0,0,0,0|2,0,0]=4 3901 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000747449 [0,2,0,0,0,0|2,0,0]=4 3902 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000747449 [0,2,0,0,0,0|2,0,0]=4 3903 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747449 [0,2,0,0,0,0|2,0,0]=4 3904 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000747449 [0,2,0,0,0,0|2,0,0]=4 3905 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000747449 [0,2,0,0,0,0|2,0,0]=4 3906 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747449 [0,2,0,0,0,0|2,0,0]=4 3907 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000747449 [0,2,0,0,0,0|2,0,0]=4 3908 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000747449 [0,2,0,0,0,0|2,0,0]=4 3909 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747449 [0,2,0,0,0,0|2,0,0]=4 3910 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000747449 [0,2,0,0,0,0|2,0,0]=4 3911 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [0,2,0,0,0,0|2,0,0]=4 3912 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [0,2,0,0,0,0|2,0,0]=4 3913 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 240690a_100000720352_100000210174 [0,2,0,0,0,0|1,0,0]=3 3914 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 527a_100000720352_100000210174 [0,2,0,0,0,0|1,0,0]=3 3915 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 240690a_100015205461_100000210174 [0,2,0,0,0,0|1,0,0]=3 3916 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 527a_100015205461_100000210174 [0,2,0,0,0,0|1,0,0]=3 3917 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 240690a_100025705893_100000210174 [0,2,0,0,0,0|1,0,0]=3 3918 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 527a_100025705893_100000210174 [0,2,0,0,0,0|1,0,0]=3 3919 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 240690a_100000753911_100000210174 [0,2,0,0,0,0|1,0,0]=3 3920 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 527a_100000753911_100000210174 [0,2,0,0,0,0|1,0,0]=3 3921 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)O 240690a_100161106496_100000210174 [0,2,0,0,0,0|1,0,0]=3 3922 B14R1.10 C[C@H](NC(=O)CO)c1ccc(nc1)Br 240690a_100015387476_100000210174 [0,2,0,0,0,0|2,0,0]=4 3923 B14R1.10 C[C@H](NC(=O)CO)c1ccc(nc1)Br 527a_100015387476_100000210174 [0,2,0,0,0,0|2,0,0]=4 3924 B14R1.10 Cc1ccc(cc1)C(C)CC(=O)CF 1458a_100011240733_100015361967 [0,2,0,0,0,0|1,0,0]=3 3925 B14R1.10 Cc1ccc(cc1)C(C)OC(C)C#N 34a_100011218135_100011261388 [0,2,0,0,0,0|1,0,1]=4 3926 B14R1.10 Cc1ccc(cc1)C(C)OC(C)CF 34a_100016041109_100011261388 [0,2,0,0,0,0|1,0,1]=4 3927 B14R1.10 Cc1ccc(cc1)C(C)OC(C)CF 7a_100016041109_100011261388 [0,2,0,0,0,0|1,0,1]=4 3928 B14R1.10 Cc1ccc(cc1)C(C)OC(C)CN 34a_100000210904_100011261388 [0,2,0,0,0,0|1,0,1]=4 3929 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 240690a_100016988085_100000210174 [0,2,0,0,0,0|1,0,0]=3 3930 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 527a_100016988085_100000210174 [0,2,0,0,0,0|1,0,0]=3 3931 B14R1.10 Cc1ccc(cc1)[C@@H](C)OC(C)C#N 7a_100000690690_100000703298 [0,2,0,0,0,0|1,0,1]=4 3932 B14R1.10 Cc1ccc(cc1)[C@@H](C)OC(C)CO 34a_100000690690_100012180447 [0,2,0,0,0,0|0,0,2]=4 3933 B14R1.10 Cc1ccc(cc1)[C@@H](C)OC(C)CO 7a_100000690690_100012180447 [0,2,0,0,0,0|0,0,2]=4 3934 B14R1.10 Cc1ccc(cn1)C(C)NC(=O)CO 240690a_100011815741_100000210174 [0,2,0,0,0,0|2,0,0]=4 3935 B14R1.10 Cc1ccc(cn1)C(C)NC(=O)CO 527a_100011815741_100000210174 [0,2,0,0,0,0|2,0,0]=4 3936 B14R1.10 O=C(CO)CC(O)c1ccc(cc1)Cl 1458a_100000210174_200011996143 [0,2,0,0,0,0|2,0,0]=4 3937 B14R1.10 O=C(CO)C[C@H](O)c1ccc(cc1)F 1458a_100000210174_100000720402 [0,2,0,0,0,0|2,0,0]=4 3938 B14R1.11 C#CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_200000035995 [0,2,0,0,0,0|1,0,1]=4 3939 B14R1.11 C#CC(C)OC(C)c1cccc(c1)C 34a_100000757818_200000035995 [0,2,0,0,0,0|1,0,1]=4 3940 B14R1.11 C#CC(C)OC(C)c1cccc(c1)F 34a_100000744526_200000035995 [0,2,0,0,0,0|1,0,1]=4 3941 B14R1.11 C#CC(C)OC(C)c1cccc(c1)I 34a_100013085317_200000035995 [0,2,0,0,0,0|1,0,1]=4 3942 B14R1.11 C#CC(C)OC(C)c1cccc(c1)N 34a_100011217120_200000035995 [0,2,0,0,0,0|1,0,1]=4 3943 B14R1.11 C#CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000035995 [0,2,0,0,0,0|1,0,1]=4 3944 B14R1.11 C=CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100000185746 [0,2,0,0,0,0|1,0,1]=4 3945 B14R1.11 C=CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_200121576911 [0,2,0,0,0,0|1,0,1]=4 3946 B14R1.11 C=CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100000185746 [0,2,0,0,0,0|1,0,1]=4 3947 B14R1.11 C=CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_200121576911 [0,2,0,0,0,0|1,0,1]=4 3948 B14R1.11 C=CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_200121576911 [0,2,0,0,0,0|1,0,1]=4 3949 B14R1.11 C=CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100000185746 [0,2,0,0,0,0|1,0,1]=4 3950 B14R1.11 C=CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_200121576911 [0,2,0,0,0,0|1,0,1]=4 3951 B14R1.11 C=CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100000185746 [0,2,0,0,0,0|1,0,1]=4 3952 B14R1.11 C=CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_200121576911 [0,2,0,0,0,0|1,0,1]=4 3953 B14R1.11 CC(C#N)OC(C)c1cccc(c1)Br 7a_100000246457_100000703298 [0,2,0,0,0,0|1,0,1]=4 3954 B14R1.11 CC(C#N)OC(C)c1cccc(c1)F 7a_100000744526_100000703298 [0,2,0,0,0,0|1,0,1]=4 3955 B14R1.11 CC(C#N)OC(C)c1cccc(c1)I 7a_100013085317_100000703298 [0,2,0,0,0,0|1,0,1]=4 3956 B14R1.11 CC(C#N)OC(C)c1cccc(c1)N 7a_100011217120_100000703298 [0,2,0,0,0,0|1,0,1]=4 3957 B14R1.11 CC(C#N)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000703298 [0,2,0,0,0,0|1,0,1]=4 3958 B14R1.11 CC(CO)OC(C)c1cccc(c1)Br 34a_100000246457_100012180447 [0,2,0,0,0,0|0,0,2]=4 3959 B14R1.11 CC(CO)OC(C)c1cccc(c1)Br 7a_100000246457_100012180447 [0,2,0,0,0,0|0,0,2]=4 3960 B14R1.11 CC(CO)OC(C)c1cccc(c1)F 34a_100000744526_100012180447 [0,2,0,0,0,0|0,0,2]=4 3961 B14R1.11 CC(CO)OC(C)c1cccc(c1)F 7a_100000744526_100012180447 [0,2,0,0,0,0|0,0,2]=4 3962 B14R1.11 CC(CO)OC(C)c1cccc(c1)I 34a_100013085317_100012180447 [0,2,0,0,0,0|0,0,2]=4 3963 B14R1.11 CC(CO)OC(C)c1cccc(c1)I 7a_100013085317_100012180447 [0,2,0,0,0,0|0,0,2]=4 3964 B14R1.11 CC(CO)OC(C)c1cccc(c1)N 34a_100011217120_100012180447 [0,2,0,0,0,0|0,0,2]=4 3965 B14R1.11 CC(CO)OC(C)c1cccc(c1)N 7a_100011217120_100012180447 [0,2,0,0,0,0|0,0,2]=4 3966 B14R1.11 CC(CO)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100012180447 [0,2,0,0,0,0|0,0,2]=4 3967 B14R1.11 CC(CO)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100012180447 [0,2,0,0,0,0|0,0,2]=4 3968 B14R1.11 CC(NC(=O)CO)c1cccc(c1)Br 240690a_100020642005_100000210174 [0,2,0,0,0,0|1,0,0]=3 3969 B14R1.11 CC(NC(=O)CO)c1cccc(c1)Br 527a_100020642005_100000210174 [0,2,0,0,0,0|1,0,0]=3 3970 B14R1.11 CC(NC(=O)CO)c1cccc(c1)Cl 240690a_100102723534_100000210174 [0,2,0,0,0,0|1,0,0]=3 3971 B14R1.11 CC(NC(=O)CO)c1cccc(c1)Cl 527a_100102723534_100000210174 [0,2,0,0,0,0|1,0,0]=3 3972 B14R1.11 CC(NC(=O)CO)c1cccc(c1)O 240690a_100000740644_100000210174 [0,2,0,0,0,0|1,0,0]=3 3973 B14R1.11 CC(NC(=O)CO)c1cccc(c1)O 527a_100000740644_100000210174 [0,2,0,0,0,0|1,0,0]=3 3974 B14R1.11 CC(NC(=O)CO)c1cccc(n1)Br 240690a_200010173468_100000210174 [0,2,0,0,0,0|2,0,0]=4 3975 B14R1.11 CC(NC(=O)CO)c1cccc(n1)Br 527a_200010173468_100000210174 [0,2,0,0,0,0|2,0,0]=4 3976 B14R1.11 CCC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747405 [0,2,0,0,0,0|2,0,0]=4 3977 B14R1.11 CCC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747405 [0,2,0,0,0,0|2,0,0]=4 3978 B14R1.11 CCC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747405 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.11 CCC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747405 [0,2,0,0,0,0|2,0,0]=4 3980 B14R1.11 CCC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747405 [0,2,0,0,0,0|2,0,0]=4 3981 B14R1.11 CCC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747405 [0,2,0,0,0,0|2,0,0]=4 3982 B14R1.11 CCC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210202 [0,2,0,0,0,0|2,0,0]=4 3983 B14R1.11 CCC(=O)NC(C)c1cc(ccn1)C 11a_100011933787_100000210414 [0,2,0,0,0,0|2,0,0]=4 3984 B14R1.11 CCC(=O)NC(C)c1cc(ccn1)C 1626a_100011933787_100000210414 [0,2,0,0,0,0|2,0,0]=4 3985 B14R1.11 CCC(=O)NC(C)c1cc(ccn1)C 240690a_100011933787_100000210414 [0,2,0,0,0,0|2,0,0]=4 3986 B14R1.11 CCC(=O)NC(C)c1cc(ccn1)C 527a_100011933787_100000210414 [0,2,0,0,0,0|2,0,0]=4 3987 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100000210414 [0,2,0,0,0,0|1,0,0]=3 3988 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100000210414 [0,2,0,0,0,0|1,0,0]=3 3989 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100000210414 [0,2,0,0,0,0|1,0,0]=3 3990 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100000210414 [0,2,0,0,0,0|1,0,0]=3 3991 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100000210414 [0,2,0,0,0,0|1,0,0]=3 3992 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100000210414 [0,2,0,0,0,0|1,0,0]=3 3993 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100000210414 [0,2,0,0,0,0|1,0,0]=3 3994 B14R1.11 CCC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100000210414 [0,2,0,0,0,0|1,0,0]=3 3995 B14R1.11 CCC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100000210414 [0,2,0,0,0,0|1,0,0]=3 3996 B14R1.11 CCC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100000210414 [0,2,0,0,0,0|1,0,0]=3 3997 B14R1.11 CCC(=O)NC(C)c1cccc(n1)Br 11a_200010173468_100000210414 [0,2,0,0,0,0|2,0,0]=4 3998 B14R1.11 CCC(=O)NC(C)c1cccc(n1)Br 1626a_200010173468_100000210414 [0,2,0,0,0,0|2,0,0]=4 3999 B14R1.11 CCC(=O)NC(C)c1cccc(n1)Br 240690a_200010173468_100000210414 [0,2,0,0,0,0|2,0,0]=4 4000 B14R1.11 CCC(=O)NC(C)c1cccc(n1)Br 527a_200010173468_100000210414 [0,2,0,0,0,0|2,0,0]=4 4001 B14R1.11 CCC(=O)NC(C)c1cccc(n1)C 11a_100011877385_100000210414 [0,2,0,0,0,0|2,0,0]=4 4002 B14R1.11 CCC(=O)NC(C)c1cccc(n1)C 1626a_100011877385_100000210414 [0,2,0,0,0,0|2,0,0]=4 4003 B14R1.11 CCC(=O)NC(C)c1cccc(n1)C 240690a_100011877385_100000210414 [0,2,0,0,0,0|2,0,0]=4 4004 B14R1.11 CCC(=O)NC(C)c1cccc(n1)C 527a_100011877385_100000210414 [0,2,0,0,0,0|2,0,0]=4 4005 B14R1.11 CCC(=O)N[C@@H](C)c1cccc(n1)F 11a_100025709760_100000210414 [0,2,0,0,0,0|2,0,0]=4 4006 B14R1.11 CCC(=O)N[C@@H](C)c1cccc(n1)F 1626a_100025709760_100000210414 [0,2,0,0,0,0|2,0,0]=4 4007 B14R1.11 CCC(=O)N[C@@H](C)c1cccc(n1)F 240690a_100025709760_100000210414 [0,2,0,0,0,0|2,0,0]=4 4008 B14R1.11 CCC(=O)N[C@@H](C)c1cccc(n1)F 527a_100025709760_100000210414 [0,2,0,0,0,0|2,0,0]=4 4009 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100000210414 [0,2,0,0,0,0|1,0,0]=3 4010 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100000210414 [0,2,0,0,0,0|1,0,0]=3 4011 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100000210414 [0,2,0,0,0,0|1,0,0]=3 4012 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100000210414 [0,2,0,0,0,0|1,0,0]=3 4013 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100000210414 [0,2,0,0,0,0|1,0,0]=3 4014 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100000210414 [0,2,0,0,0,0|1,0,0]=3 4015 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100000210414 [0,2,0,0,0,0|1,0,0]=3 4016 B14R1.11 CCC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100000210414 [0,2,0,0,0,0|1,0,0]=3 4017 B14R1.11 CCC(=O)N[C@H](C)c1cncc(c1)Br 11a_100012350620_100000210414 [0,2,0,0,0,0|2,0,0]=4 4018 B14R1.11 CCC(=O)N[C@H](C)c1cncc(c1)Br 240690a_100012350620_100000210414 [0,2,0,0,0,0|2,0,0]=4 4019 B14R1.11 CCC(=O)N[C@H](C)c1cncc(c1)Br 527a_100012350620_100000210414 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100011215416 [0,2,0,0,0,0|1,0,1]=4 4021 B14R1.11 CCC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000758301 [0,2,0,0,0,0|1,0,1]=4 4022 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 34a_100000757818_100011215416 [0,2,0,0,0,0|1,0,1]=4 4023 B14R1.11 CCC(C)OC(C)c1cccc(c1)C 7a_100000757818_100000758301 [0,2,0,0,0,0|1,0,1]=4 4024 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 34a_100000744526_100011215416 [0,2,0,0,0,0|1,0,1]=4 4025 B14R1.11 CCC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000758301 [0,2,0,0,0,0|1,0,1]=4 4026 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 34a_100013085317_100011215416 [0,2,0,0,0,0|1,0,1]=4 4027 B14R1.11 CCC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000758301 [0,2,0,0,0,0|1,0,1]=4 4028 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 34a_100011217120_100011215416 [0,2,0,0,0,0|1,0,1]=4 4029 B14R1.11 CCC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000758301 [0,2,0,0,0,0|1,0,1]=4 4030 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011215416 [0,2,0,0,0,0|1,0,1]=4 4031 B14R1.11 CCC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000758301 [0,2,0,0,0,0|1,0,1]=4 4032 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000183359 [0,2,0,0,0,0|2,0,0]=4 4033 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000183359 [0,2,0,0,0,0|2,0,0]=4 4034 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000183359 [0,2,0,0,0,0|2,0,0]=4 4035 B14R1.11 CNC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000183359 [0,2,0,0,0,0|2,0,0]=4 4036 B14R1.11 CNC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000183359 [0,2,0,0,0,0|2,0,0]=4 4037 B14R1.11 CNC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000183359 [0,2,0,0,0,0|2,0,0]=4 4038 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000183359 [0,2,0,0,0,0|2,0,0]=4 4039 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000183359 [0,2,0,0,0,0|2,0,0]=4 4040 B14R1.11 CNC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000183359 [0,2,0,0,0,0|2,0,0]=4 4041 B14R1.11 CNC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000183359 [0,2,0,0,0,0|2,0,0]=4 4042 B14R1.11 CNC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000183359 [0,2,0,0,0,0|2,0,0]=4 4043 B14R1.11 CNC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000183359 [0,2,0,0,0,0|2,0,0]=4 4044 B14R1.11 CNC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000183359 [0,2,0,0,0,0|2,0,0]=4 4045 B14R1.11 CNC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000183359 [0,2,0,0,0,0|2,0,0]=4 4046 B14R1.11 CNC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000183359 [0,2,0,0,0,0|2,0,0]=4 4047 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 4048 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 4049 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000183359 [0,2,0,0,0,0|2,0,0]=4 4050 B14R1.11 CNC(=O)C[C@H](O)c1cccc(c1)Cl 240690a_100102657272_100010423400 [0,2,0,0,0,0|2,0,0]=4 4051 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 2708a_100011933787_106832991635 [0,2,0,0,0,0|2,0,0]=4 4052 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 2708a_100102657272_100011933787 [0,2,0,0,0,0|2,0,0]=4 4053 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 273464a_100011933787_100102657272 [0,2,0,0,0,0|2,0,0]=4 4054 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 273464a_100102657272_100011933787 [0,2,0,0,0,0|2,0,0]=4 4055 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 512a_100011933787_100102657272 [0,2,0,0,0,0|2,0,0]=4 4056 B14R1.11 CNC(=O)NC(C)c1cc(ccn1)C 512a_106832991638_100011933787 [0,2,0,0,0,0|2,0,0]=4 4057 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 2708a_100020642005_106832991635 [0,2,0,0,0,0|1,0,0]=3 4058 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 2708a_100102657272_100020642005 [0,2,0,0,0,0|1,0,0]=3 4059 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 273464a_100020642005_100102657272 [0,2,0,0,0,0|1,0,0]=3 4060 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 273464a_100102657272_100020642005 [0,2,0,0,0,0|1,0,0]=3 4061 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 512a_100020642005_100102657272 [0,2,0,0,0,0|1,0,0]=3 4062 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Br 512a_106832991638_100020642005 [0,2,0,0,0,0|1,0,0]=3 4063 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 2708a_100102657272_100102723534 [0,2,0,0,0,0|1,0,0]=3 4064 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 2708a_100102723534_106832991635 [0,2,0,0,0,0|1,0,0]=3 4065 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 273464a_100102657272_100102723534 [0,2,0,0,0,0|1,0,0]=3 4066 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 273464a_100102723534_100102657272 [0,2,0,0,0,0|1,0,0]=3 4067 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 512a_100102723534_100102657272 [0,2,0,0,0,0|1,0,0]=3 4068 B14R1.11 CNC(=O)NC(C)c1cccc(c1)Cl 512a_106832991638_100102723534 [0,2,0,0,0,0|1,0,0]=3 4069 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 2708a_100000740644_106832991635 [0,2,0,0,0,0|1,0,0]=3 4070 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 2708a_100102657272_100000740644 [0,2,0,0,0,0|1,0,0]=3 4071 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 273464a_100000740644_100102657272 [0,2,0,0,0,0|1,0,0]=3 4072 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 273464a_100102657272_100000740644 [0,2,0,0,0,0|1,0,0]=3 4073 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 512a_100000740644_100102657272 [0,2,0,0,0,0|1,0,0]=3 4074 B14R1.11 CNC(=O)NC(C)c1cccc(c1)O 512a_106832991638_100000740644 [0,2,0,0,0,0|1,0,0]=3 4075 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 2708a_100102657272_200010173468 [0,2,0,0,0,0|2,0,0]=4 4076 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 2708a_200010173468_106832991635 [0,2,0,0,0,0|2,0,0]=4 4077 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 273464a_100102657272_200010173468 [0,2,0,0,0,0|2,0,0]=4 4078 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 273464a_200010173468_100102657272 [0,2,0,0,0,0|2,0,0]=4 4079 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 512a_106832991638_200010173468 [0,2,0,0,0,0|2,0,0]=4 4080 B14R1.11 CNC(=O)NC(C)c1cccc(n1)Br 512a_200010173468_100102657272 [0,2,0,0,0,0|2,0,0]=4 4081 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 2708a_100011877385_106832991635 [0,2,0,0,0,0|2,0,0]=4 4082 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 2708a_100102657272_100011877385 [0,2,0,0,0,0|2,0,0]=4 4083 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 273464a_100011877385_100102657272 [0,2,0,0,0,0|2,0,0]=4 4084 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 273464a_100102657272_100011877385 [0,2,0,0,0,0|2,0,0]=4 4085 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 512a_100011877385_100102657272 [0,2,0,0,0,0|2,0,0]=4 4086 B14R1.11 CNC(=O)NC(C)c1cccc(n1)C 512a_106832991638_100011877385 [0,2,0,0,0,0|2,0,0]=4 4087 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 2708a_100025709760_106832991635 [0,2,0,0,0,0|2,0,0]=4 4088 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 2708a_100102657272_100025709760 [0,2,0,0,0,0|2,0,0]=4 4089 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 273464a_100025709760_100102657272 [0,2,0,0,0,0|2,0,0]=4 4090 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 273464a_100102657272_100025709760 [0,2,0,0,0,0|2,0,0]=4 4091 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 512a_100025709760_100102657272 [0,2,0,0,0,0|2,0,0]=4 4092 B14R1.11 CNC(=O)N[C@@H](C)c1cccc(n1)F 512a_106832991638_100025709760 [0,2,0,0,0,0|2,0,0]=4 4093 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 2708a_100000698126_106832991635 [0,2,0,0,0,0|1,0,0]=3 4094 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 2708a_100102657272_100000698126 [0,2,0,0,0,0|1,0,0]=3 4095 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 273464a_100000698126_100102657272 [0,2,0,0,0,0|1,0,0]=3 4096 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 273464a_100102657272_100000698126 [0,2,0,0,0,0|1,0,0]=3 4097 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 512a_100000698126_100102657272 [0,2,0,0,0,0|1,0,0]=3 4098 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)C 512a_106832991638_100000698126 [0,2,0,0,0,0|1,0,0]=3 4099 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 2708a_100015193778_106832991635 [0,2,0,0,0,0|1,0,0]=3 4100 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 2708a_100102657272_100015193778 [0,2,0,0,0,0|1,0,0]=3 4101 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 273464a_100015193778_100102657272 [0,2,0,0,0,0|1,0,0]=3 4102 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 273464a_100102657272_100015193778 [0,2,0,0,0,0|1,0,0]=3 4103 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 512a_100015193778_100102657272 [0,2,0,0,0,0|1,0,0]=3 4104 B14R1.11 CNC(=O)N[C@H](C)c1cccc(c1)F 512a_106832991638_100015193778 [0,2,0,0,0,0|1,0,0]=3 4105 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 2708a_100012350620_106832991635 [0,2,0,0,0,0|2,0,0]=4 4106 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 2708a_100102657272_100012350620 [0,2,0,0,0,0|2,0,0]=4 4107 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 273464a_100012350620_100102657272 [0,2,0,0,0,0|2,0,0]=4 4108 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 273464a_100102657272_100012350620 [0,2,0,0,0,0|2,0,0]=4 4109 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 512a_100012350620_100102657272 [0,2,0,0,0,0|2,0,0]=4 4110 B14R1.11 CNC(=O)N[C@H](C)c1cncc(c1)Br 512a_106832991638_100012350620 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000747449 [0,2,0,0,0,0|2,0,0]=4 4112 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747449 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000747449 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000747449 [0,2,0,0,0,0|2,0,0]=4 4115 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747449 [0,2,0,0,0,0|2,0,0]=4 4116 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000747449 [0,2,0,0,0,0|2,0,0]=4 4117 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000747449 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747449 [0,2,0,0,0,0|2,0,0]=4 4119 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000747449 [0,2,0,0,0,0|2,0,0]=4 4120 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000747449 [0,2,0,0,0,0|2,0,0]=4 4121 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747449 [0,2,0,0,0,0|2,0,0]=4 4122 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000747449 [0,2,0,0,0,0|2,0,0]=4 4123 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000747449 [0,2,0,0,0,0|2,0,0]=4 4124 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747449 [0,2,0,0,0,0|2,0,0]=4 4125 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000747449 [0,2,0,0,0,0|2,0,0]=4 4126 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000747449 [0,2,0,0,0,0|2,0,0]=4 4127 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747449 [0,2,0,0,0,0|2,0,0]=4 4128 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000747449 [0,2,0,0,0,0|2,0,0]=4 4129 B14R1.11 COC(=O)C[C@@H](N)c1cccc(c1)O 271570a_203496583355_100000700175 [0,2,0,0,0,0|2,0,0]=4 4130 B14R1.11 C[C@@H](NC(=O)CO)c1cccc(c1)F 240690a_100015193778_100000210174 [0,2,0,0,0,0|1,0,0]=3 4131 B14R1.11 C[C@@H](NC(=O)CO)c1cccc(c1)F 527a_100015193778_100000210174 [0,2,0,0,0,0|1,0,0]=3 4132 B14R1.11 C[C@@H](NC(=O)CO)c1cncc(c1)Br 240690a_100012350620_100000210174 [0,2,0,0,0,0|2,0,0]=4 4133 B14R1.11 C[C@@H](NC(=O)CO)c1cncc(c1)Br 527a_100012350620_100000210174 [0,2,0,0,0,0|2,0,0]=4 4134 B14R1.11 C[C@H](NC(=O)CO)c1cccc(n1)F 240690a_100025709760_100000210174 [0,2,0,0,0,0|2,0,0]=4 4135 B14R1.11 C[C@H](NC(=O)CO)c1cccc(n1)F 527a_100025709760_100000210174 [0,2,0,0,0,0|2,0,0]=4 4136 B14R1.11 Cc1cccc(c1)C(C)OC(C)C#N 7a_100000757818_100000703298 [0,2,0,0,0,0|1,0,1]=4 4137 B14R1.11 Cc1cccc(c1)C(C)OC(C)CO 34a_100000757818_100012180447 [0,2,0,0,0,0|0,0,2]=4 4138 B14R1.11 Cc1cccc(c1)C(C)OC(C)CO 7a_100000757818_100012180447 [0,2,0,0,0,0|0,0,2]=4 4139 B14R1.11 Cc1cccc(c1)[C@@H](C)NC(=O)CO 240690a_100000698126_100000210174 [0,2,0,0,0,0|1,0,0]=3 4140 B14R1.11 Cc1cccc(c1)[C@@H](C)NC(=O)CO 527a_100000698126_100000210174 [0,2,0,0,0,0|1,0,0]=3 4141 B14R1.11 Cc1cccc(n1)C(C)NC(=O)CO 240690a_100011877385_100000210174 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.11 Cc1cccc(n1)C(C)NC(=O)CO 527a_100011877385_100000210174 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.11 Cc1ccnc(c1)C(C)NC(=O)CO 240690a_100011933787_100000210174 [0,2,0,0,0,0|2,0,0]=4 4144 B14R1.11 Cc1ccnc(c1)C(C)NC(=O)CO 527a_100011933787_100000210174 [0,2,0,0,0,0|2,0,0]=4 4145 B14R1.11 O=C(CF)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100015361967 [0,2,0,0,0,0|2,0,0]=4 4146 B14R1.29 C#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000184674 [0,2,0,0,0,0|1,0,1]=4 4147 B14R1.29 C#CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000184674 [0,2,0,0,0,0|1,0,0]=3 4148 B14R1.29 C#CCC(=O)CC(C)c1ccccc1 1458a_100011220946_100000756946 [0,2,0,0,0,0|1,0,0]=3 4149 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000184674 [0,2,0,0,0,0|2,0,0]=4 4150 B14R1.29 C#CCC(=O)CC(O)c1ccccc1 1458a_100011220946_100000185958 [0,2,0,0,0,0|2,0,0]=4 4151 B14R1.29 C#CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000184674 [0,2,0,0,0,0|2,0,0]=4 4152 B14R1.29 C#CCC(=O)C[C@@H](O)c1ccccc1 1458a_100011220946_100011933945 [0,2,0,0,0,0|2,0,0]=4 4153 B14R1.29 C#CCC(=O)NC(C)c1ccccn1 1626a_100000181244_100011220946 [0,2,0,0,0,0|2,0,0]=4 4154 B14R1.29 C#CCC(=O)NC(C)c1ccccn1 527a_100000181244_100011220946 [0,2,0,0,0,0|2,0,0]=4 4155 B14R1.29 C#CCC(=O)NC(C)c1cccnc1 527a_100000195435_100011220946 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.29 C#CCC(=O)NC(C)c1ccncc1 527a_100000181269_100011220946 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100011220946 [0,2,0,0,0,0|1,0,0]=3 4158 B14R1.29 C#CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100011220946 [0,2,0,0,0,0|1,0,0]=3 4159 B14R1.29 C#CCC(C)OC(C)c1ccccc1 34a_100000685586_100000211855 [0,2,0,0,0,0|1,0,1]=4 4160 B14R1.29 C#CCC(C)OC(C)c1ccccc1 7a_100000685586_100000230085 [0,2,0,0,0,0|1,0,1]=4 4161 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 34a_200102604097_100000211855 [0,2,0,0,0,0|1,0,1]=4 4162 B14R1.29 C=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210623 [0,2,0,0,0,0|1,0,1]=4 4163 B14R1.29 C=CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210623 [0,2,0,0,0,0|1,0,0]=3 4164 B14R1.29 C=CCC(=O)CC(C)c1ccccc1 1458a_100000210193_100000756946 [0,2,0,0,0,0|1,0,0]=3 4165 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000210193_100000185958 [0,2,0,0,0,0|2,0,0]=4 4166 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210623 [0,2,0,0,0,0|2,0,0]=4 4167 B14R1.29 C=CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210623 [0,2,0,0,0,0|2,0,0]=4 4168 B14R1.29 C=CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210193_100011933945 [0,2,0,0,0,0|2,0,0]=4 4169 B14R1.29 C=CCC(=O)NC(C)c1ccccn1 11a_100000181244_100000210193 [0,2,0,0,0,0|2,0,0]=4 4170 B14R1.29 C=CCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210193 [0,2,0,0,0,0|2,0,0]=4 4171 B14R1.29 C=CCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210193 [0,2,0,0,0,0|2,0,0]=4 4172 B14R1.29 C=CCC(=O)NC(C)c1ccccn1 527a_100000181244_100000210193 [0,2,0,0,0,0|2,0,0]=4 4173 B14R1.29 C=CCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210193 [0,2,0,0,0,0|2,0,0]=4 4174 B14R1.29 C=CCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210193 [0,2,0,0,0,0|2,0,0]=4 4175 B14R1.29 C=CCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210193 [0,2,0,0,0,0|2,0,0]=4 4176 B14R1.29 C=CCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000210193 [0,2,0,0,0,0|2,0,0]=4 4177 B14R1.29 C=CCC(=O)NC(C)c1ccncc1 527a_100000181269_100000210193 [0,2,0,0,0,0|2,0,0]=4 4178 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210193 [0,2,0,0,0,0|1,0,0]=3 4179 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210193 [0,2,0,0,0,0|1,0,0]=3 4180 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210193 [0,2,0,0,0,0|1,0,0]=3 4181 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210193 [0,2,0,0,0,0|1,0,0]=3 4182 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 34a_100000731007_100000211855 [0,2,0,0,0,0|1,0,1]=4 4183 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 7a_100000731007_100000230085 [0,2,0,0,0,0|1,0,1]=4 4184 B14R1.29 CC#CC(=O)CC(C)c1ccccc1 1458a_100000763181_100000756946 [0,2,0,0,0,0|1,0,0]=3 4185 B14R1.29 CC#CC(=O)CC(O)c1ccccc1 1458a_100000763181_100000185958 [0,2,0,0,0,0|2,0,0]=4 4186 B14R1.29 CC#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000763181_100011933945 [0,2,0,0,0,0|2,0,0]=4 4187 B14R1.29 CC#CC(C)OC(C)c1ccccc1 34a_100011216543_100000211855 [0,2,0,0,0,0|1,0,1]=4 4188 B14R1.29 CC(=CC(=O)CC#N)c1ccccc1 1458a_100000743005_100011214920 [0,2,0,0,0,0|1,0,1]=4 4189 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [0,2,0,0,0,0|1,0,1]=4 4190 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [0,2,0,0,0,0|1,0,1]=4 4191 B14R1.29 CC(CC#N)O[C@H](C)c1ccccc1 7a_100000761318_100009813641 [0,2,0,0,0,0|1,0,1]=4 4192 B14R1.29 CC(CC(=O)C=CBr)c1ccccc1 1458a_100016273825_100000756946 [0,2,0,0,0,0|1,0,1]=4 4193 B14R1.29 CC(CC(=O)C=CCl)c1ccccc1 1458a_200016279998_100000756946 [0,2,0,0,0,0|1,0,1]=4 4194 B14R1.29 CC(CC(=O)C=CI)c1ccccc1 1458a_100016256311_100000756946 [0,2,0,0,0,0|1,0,1]=4 4195 B14R1.29 CC(CC(=O)CC#N)c1ccccc1 1458a_100000183687_100011214920 [0,2,0,0,0,0|1,0,0]=3 4196 B14R1.29 CC(CC(=O)CC#N)c1ccccc1 1458a_100051588842_100000756946 [0,2,0,0,0,0|1,0,0]=3 4197 B14R1.29 CC(CC(=O)CCF)c1ccccc1 1458a_100000183687_100011217306 [0,2,0,0,0,0|1,0,0]=3 4198 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100000183687_100000211926 [0,2,0,0,0,0|1,0,0]=3 4199 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100011216618_100000756946 [0,2,0,0,0,0|1,0,0]=3 4200 B14R1.29 CC(CCBr)OC(C)c1ccccc1 34a_100012276601_100000211855 [0,2,0,0,0,0|1,0,1]=4 4201 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 34a_100000761318_100009893172 [0,2,0,0,0,0|0,0,2]=4 4202 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 7a_100000761318_100009893172 [0,2,0,0,0,0|0,0,2]=4 4203 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 1626a_100000181244_100051588842 [0,2,0,0,0,0|2,0,0]=4 4204 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 240690a_100000181244_100051588842 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.29 CC(NC(=O)CC#N)c1cccnc1 240690a_100000195435_100051588842 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.29 CC(NC(=O)CC#N)c1ccncc1 240690a_100000181269_100051588842 [0,2,0,0,0,0|2,0,0]=4 4207 B14R1.29 CC(NC(=O)CCO)c1ccccn1 240690a_100000181244_100011216618 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.29 CC(NC(=O)CCO)c1cccnc1 240690a_100000195435_100011216618 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.29 CC(NC(=O)CCO)c1ccncc1 240690a_100000181269_100011216618 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.29 CC(NC(=O)CS[13CH3])c1ccccc1 62a_200000243715_200025704644 [0,2,0,0,0,0|1,0,0]=3 4211 B14R1.29 CC(NC(=O)CS[13CH3])c1ccccc1 62a_200025704644_200000243715 [0,2,0,0,0,0|1,0,0]=3 4212 B14R1.29 CC=CC(=O)CC(C)c1ccccc1 1458a_100000210699_100000756946 [0,2,0,0,0,0|1,0,0]=3 4213 B14R1.29 CC=CC(=O)CC(O)c1ccccc1 1458a_100000210699_100000185958 [0,2,0,0,0,0|2,0,0]=4 4214 B14R1.29 CC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210699_100011933945 [0,2,0,0,0,0|2,0,0]=4 4215 B14R1.29 CC=CC(=O)NC(C)c1ccccn1 11a_100000181244_100000210699 [0,2,0,0,0,0|2,0,0]=4 4216 B14R1.29 CC=CC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210699 [0,2,0,0,0,0|2,0,0]=4 4217 B14R1.29 CC=CC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210699 [0,2,0,0,0,0|2,0,0]=4 4218 B14R1.29 CC=CC(=O)NC(C)c1cccnc1 11a_100000195435_100000210699 [0,2,0,0,0,0|2,0,0]=4 4219 B14R1.29 CC=CC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210699 [0,2,0,0,0,0|2,0,0]=4 4220 B14R1.29 CC=CC(=O)NC(C)c1ccncc1 240690a_100000181269_100000210699 [0,2,0,0,0,0|2,0,0]=4 4221 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210699 [0,2,0,0,0,0|1,0,0]=3 4222 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210699 [0,2,0,0,0,0|1,0,0]=3 4223 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210699 [0,2,0,0,0,0|1,0,0]=3 4224 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,2,0,0,0,0|1,0,1]=4 4225 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,2,0,0,0,0|1,0,0]=3 4226 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,2,0,0,0,0|1,0,0]=3 4227 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,2,0,0,0,0|2,0,0]=4 4229 B14R1.29 CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210303 [0,2,0,0,0,0|2,0,0]=4 4230 B14R1.29 CCCC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747444 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.29 CCCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747444 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.29 CCCC(=O)NC(C)c1ccccn1 11a_100000181244_100000211992 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.29 CCCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000211992 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.29 CCCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000211992 [0,2,0,0,0,0|2,0,0]=4 4236 B14R1.29 CCCC(=O)NC(C)c1ccccn1 527a_100000181244_100000211992 [0,2,0,0,0,0|2,0,0]=4 4237 B14R1.29 CCCC(=O)NC(C)c1cccnc1 11a_100000195435_100000211992 [0,2,0,0,0,0|2,0,0]=4 4238 B14R1.29 CCCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000211992 [0,2,0,0,0,0|2,0,0]=4 4239 B14R1.29 CCCC(=O)NC(C)c1cccnc1 527a_100000195435_100000211992 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.29 CCCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000211992 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.29 CCCC(=O)NC(C)c1ccncc1 527a_100000181269_100000211992 [0,2,0,0,0,0|2,0,0]=4 4242 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211992 [0,2,0,0,0,0|1,0,0]=3 4243 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211992 [0,2,0,0,0,0|1,0,0]=3 4244 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211992 [0,2,0,0,0,0|1,0,0]=3 4245 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211992 [0,2,0,0,0,0|1,0,0]=3 4246 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,2,0,0,0,0|1,0,1]=4 4247 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,2,0,0,0,0|1,0,1]=4 4248 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,2,0,0,0,0|1,0,1]=4 4249 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,2,0,0,0,0|1,0,1]=4 4250 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [0,2,0,0,0,0|1,0,1]=4 4251 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [0,2,0,0,0,0|1,0,1]=4 4252 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [0,2,0,0,0,0|1,0,1]=4 4253 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,2,0,0,0,0|1,0,0]=3 4254 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,2,0,0,0,0|1,0,0]=3 4255 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,2,0,0,0,0|1,0,0]=3 4256 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,2,0,0,0,0|2,0,0]=4 4257 B14R1.29 CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183381 [0,2,0,0,0,0|2,0,0]=4 4258 B14R1.29 CCNC(=O)CN(C)c1ccccc1 240690a_100015525214_100000745425 [0,2,0,0,0,0|2,0,0]=4 4259 B14R1.29 CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183381 [0,2,0,0,0,0|2,0,0]=4 4260 B14R1.29 CCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183381 [0,2,0,0,0,0|2,0,0]=4 4261 B14R1.29 CCNC(=O)CN(C)c1ccccc1 527a_100015525214_100000745425 [0,2,0,0,0,0|2,0,0]=4 4262 B14R1.29 CCNC(=O)NC(C)c1ccccn1 2708a_100000181244_100015525214 [0,2,0,0,0,0|2,0,0]=4 4263 B14R1.29 CCNC(=O)NC(C)c1ccccn1 2708a_100015525214_100000181244 [0,2,0,0,0,0|2,0,0]=4 4264 B14R1.29 CCNC(=O)NC(C)c1ccccn1 273464a_100000181244_100015525214 [0,2,0,0,0,0|2,0,0]=4 4265 B14R1.29 CCNC(=O)NC(C)c1ccccn1 273464a_100015525214_100000181244 [0,2,0,0,0,0|2,0,0]=4 4266 B14R1.29 CCNC(=O)NC(C)c1ccccn1 512a_100000181244_100015525214 [0,2,0,0,0,0|2,0,0]=4 4267 B14R1.29 CCNC(=O)NC(C)c1ccccn1 512a_100015525214_100000181244 [0,2,0,0,0,0|2,0,0]=4 4268 B14R1.29 CCNC(=O)NC(C)c1cccnc1 2708a_100000195435_100015525214 [0,2,0,0,0,0|2,0,0]=4 4269 B14R1.29 CCNC(=O)NC(C)c1cccnc1 2708a_100015525214_100000195435 [0,2,0,0,0,0|2,0,0]=4 4270 B14R1.29 CCNC(=O)NC(C)c1cccnc1 273464a_100000195435_100015525214 [0,2,0,0,0,0|2,0,0]=4 4271 B14R1.29 CCNC(=O)NC(C)c1cccnc1 273464a_100015525214_100000195435 [0,2,0,0,0,0|2,0,0]=4 4272 B14R1.29 CCNC(=O)NC(C)c1cccnc1 512a_100015525214_100000195435 [0,2,0,0,0,0|2,0,0]=4 4273 B14R1.29 CCNC(=O)NC(C)c1ccncc1 2708a_100000181269_100015525214 [0,2,0,0,0,0|2,0,0]=4 4274 B14R1.29 CCNC(=O)NC(C)c1ccncc1 2708a_100015525214_100000181269 [0,2,0,0,0,0|2,0,0]=4 4275 B14R1.29 CCNC(=O)NC(C)c1ccncc1 273464a_100000181269_100015525214 [0,2,0,0,0,0|2,0,0]=4 4276 B14R1.29 CCNC(=O)NC(C)c1ccncc1 273464a_100015525214_100000181269 [0,2,0,0,0,0|2,0,0]=4 4277 B14R1.29 CCNC(=O)NC(C)c1ccncc1 512a_100000181269_100015525214 [0,2,0,0,0,0|2,0,0]=4 4278 B14R1.29 CCNC(=O)NC(C)c1ccncc1 512a_100015525214_100000181269 [0,2,0,0,0,0|2,0,0]=4 4279 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [0,2,0,0,0,0|1,0,0]=3 4280 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [0,2,0,0,0,0|1,0,0]=3 4282 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [0,2,0,0,0,0|1,0,0]=3 4283 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [0,2,0,0,0,0|1,0,0]=3 4284 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [0,2,0,0,0,0|1,0,0]=3 4285 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,2,0,0,0,0|1,0,1]=4 4286 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,2,0,0,0,0|2,0,0]=4 4287 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,2,0,0,0,0|2,0,0]=4 4288 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,2,0,0,0,0|2,0,0]=4 4289 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,2,0,0,0,0|2,0,0]=4 4290 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,2,0,0,0,0|2,0,0]=4 4291 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,2,0,0,0,0|2,0,0]=4 4292 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,2,0,0,0,0|2,0,0]=4 4293 B14R1.29 CN(CC(=O)CC#N)c1ccccc1 1458a_100000745425_100011214920 [0,2,0,0,0,0|2,0,0]=4 4294 B14R1.29 CN(CC(=O)CCF)c1ccccc1 1458a_100000745425_100011217306 [0,2,0,0,0,0|2,0,0]=4 4295 B14R1.29 CN(CC(=O)CCO)c1ccccc1 1458a_100000745425_100000211926 [0,2,0,0,0,0|2,0,0]=4 4296 B14R1.29 CN(CC(=O)NCO)c1ccccc1 2230a_100000210012_100000185155 [0,2,0,0,0,0|2,0,0]=4 4297 B14R1.29 CN(CC(=O)NCO)c1ccccc1 269982a_100000210012_100000185155 [0,2,0,0,0,0|2,0,0]=4 4298 B14R1.29 CN(CC(=O)NCO)c1ccccc1 34a_100000210012_100000185155 [0,2,0,0,0,0|2,0,0]=4 4299 B14R1.29 CNCC(=O)NC(C)c1ccccc1 2230a_106832991635_200000243715 [0,2,0,0,0,0|1,0,0]=3 4300 B14R1.29 CNCC(=O)NC(C)c1ccccc1 34a_100102657272_200000243715 [0,2,0,0,0,0|1,0,0]=3 4301 B14R1.29 CNCC(=O)NC(C)c1ccccc1 7a_106832991635_200000243715 [0,2,0,0,0,0|1,0,0]=3 4302 B14R1.29 CNCC(=O)N[C@@H](C)c1ccccc1 2230a_106832991635_100011939912 [0,2,0,0,0,0|1,0,0]=3 4303 B14R1.29 CNCC(=O)N[C@@H](C)c1ccccc1 34a_100102657272_100011939912 [0,2,0,0,0,0|1,0,0]=3 4304 B14R1.29 CNCC(=O)N[C@@H](C)c1ccccc1 7a_106832991635_100011939912 [0,2,0,0,0,0|1,0,0]=3 4305 B14R1.29 CNNC(=O)C=C(C)c1ccccc1 22a_100016993582_100000743005 [0,2,0,0,0,0|1,0,1]=4 4306 B14R1.29 CNNC(=O)CC(C)c1ccccc1 22a_100016993582_100000183687 [0,2,0,0,0,0|1,0,0]=3 4307 B14R1.29 CNNC(=O)CC(O)c1ccccc1 22a_100016993582_100000690199 [0,2,0,0,0,0|2,0,0]=4 4308 B14R1.29 CNNC(=O)CN(C)c1ccccc1 22a_100016993582_100000745425 [0,2,0,0,0,0|2,0,0]=4 4309 B14R1.29 CNNC(=O)NC(C)c1ccccn1 273464a_100000181244_100016993582 [0,2,0,0,0,0|2,0,0]=4 4310 B14R1.29 CNNC(=O)NC(C)c1ccccn1 512a_100000181244_100016993582 [0,2,0,0,0,0|2,0,0]=4 4311 B14R1.29 CNNC(=O)NC(C)c1ccccn1 512a_100016993582_100000181244 [0,2,0,0,0,0|2,0,0]=4 4312 B14R1.29 CNNC(=O)NC(C)c1cccnc1 273464a_100000195435_100016993582 [0,2,0,0,0,0|2,0,0]=4 4313 B14R1.29 CNNC(=O)NC(C)c1cccnc1 512a_100016993582_100000195435 [0,2,0,0,0,0|2,0,0]=4 4314 B14R1.29 CNNC(=O)NC(C)c1ccncc1 273464a_100000181269_100016993582 [0,2,0,0,0,0|2,0,0]=4 4315 B14R1.29 CNNC(=O)NC(C)c1ccncc1 512a_100000181269_100016993582 [0,2,0,0,0,0|2,0,0]=4 4316 B14R1.29 CNNC(=O)NC(C)c1ccncc1 512a_100016993582_100000181269 [0,2,0,0,0,0|2,0,0]=4 4317 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100016993582 [0,2,0,0,0,0|1,0,0]=3 4318 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100016993582 [0,2,0,0,0,0|1,0,0]=3 4319 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 512a_100016993582_100000751104 [0,2,0,0,0,0|1,0,0]=3 4320 B14R1.29 COCC(=O)CC(C)c1ccccc1 1458a_100000210968_100000756946 [0,2,0,0,0,0|1,0,0]=3 4321 B14R1.29 COCC(=O)CC(O)c1ccccc1 1458a_100000210968_100000185958 [0,2,0,0,0,0|2,0,0]=4 4322 B14R1.29 COCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210968_100011933945 [0,2,0,0,0,0|2,0,0]=4 4323 B14R1.29 COCC(=O)NC(C)c1ccccc1 34a_100138415774_200000243715 [0,2,0,0,0,0|1,0,0]=3 4324 B14R1.29 COCC(=O)NC(C)c1ccccn1 11a_100000181244_100000210968 [0,2,0,0,0,0|2,0,0]=4 4325 B14R1.29 COCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210968 [0,2,0,0,0,0|2,0,0]=4 4326 B14R1.29 COCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210968 [0,2,0,0,0,0|2,0,0]=4 4327 B14R1.29 COCC(=O)NC(C)c1ccccn1 527a_100000181244_100000210968 [0,2,0,0,0,0|2,0,0]=4 4328 B14R1.29 COCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210968 [0,2,0,0,0,0|2,0,0]=4 4329 B14R1.29 COCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210968 [0,2,0,0,0,0|2,0,0]=4 4330 B14R1.29 COCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210968 [0,2,0,0,0,0|2,0,0]=4 4331 B14R1.29 COCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000210968 [0,2,0,0,0,0|2,0,0]=4 4332 B14R1.29 COCC(=O)NC(C)c1ccncc1 527a_100000181269_100000210968 [0,2,0,0,0,0|2,0,0]=4 4333 B14R1.29 COCC(=O)N[C@@H](C)c1ccccc1 34a_100138415774_100011939912 [0,2,0,0,0,0|1,0,0]=3 4334 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210968 [0,2,0,0,0,0|1,0,0]=3 4335 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210968 [0,2,0,0,0,0|1,0,0]=3 4336 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210968 [0,2,0,0,0,0|1,0,0]=3 4337 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210968 [0,2,0,0,0,0|1,0,0]=3 4338 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000765312 [0,2,0,0,0,0|0,0,2]=4 4339 B14R1.29 COCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000765312 [0,2,0,0,0,0|0,0,2]=4 4340 B14R1.29 COC[C@@H](C)OC(C)c1ccccc1 34a_100011934205_100000211855 [0,2,0,0,0,0|0,0,2]=4 4341 B14R1.29 CSCC(=O)CC(C)c1ccccc1 1458a_100000184570_100000756946 [0,2,0,0,0,0|1,0,0]=3 4342 B14R1.29 CSCC(=O)CC(O)c1ccccc1 1458a_100000184570_100000185958 [0,2,0,0,0,0|2,0,0]=4 4343 B14R1.29 CSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000184570_100011933945 [0,2,0,0,0,0|2,0,0]=4 4344 B14R1.29 CSCC(=O)NC(C)c1ccccc1 62a_200000210301_200000243715 [0,2,0,0,0,0|1,0,0]=3 4345 B14R1.29 CSCC(=O)NC(C)c1ccccc1 62a_200000243715_200000210301 [0,2,0,0,0,0|1,0,0]=3 4346 B14R1.29 CSCC(=O)NC(C)c1ccccn1 11a_100000181244_100000184570 [0,2,0,0,0,0|2,0,0]=4 4347 B14R1.29 CSCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000184570 [0,2,0,0,0,0|2,0,0]=4 4348 B14R1.29 CSCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000184570 [0,2,0,0,0,0|2,0,0]=4 4349 B14R1.29 CSCC(=O)NC(C)c1ccccn1 527a_100000181244_100000184570 [0,2,0,0,0,0|2,0,0]=4 4350 B14R1.29 CSCC(=O)NC(C)c1cccnc1 11a_100000195435_100000184570 [0,2,0,0,0,0|2,0,0]=4 4351 B14R1.29 CSCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000184570 [0,2,0,0,0,0|2,0,0]=4 4352 B14R1.29 CSCC(=O)NC(C)c1cccnc1 527a_100000195435_100000184570 [0,2,0,0,0,0|2,0,0]=4 4353 B14R1.29 CSCC(=O)NC(C)c1ccncc1 240690a_100000181269_100000184570 [0,2,0,0,0,0|2,0,0]=4 4354 B14R1.29 CSCC(=O)NC(C)c1ccncc1 527a_100000181269_100000184570 [0,2,0,0,0,0|2,0,0]=4 4355 B14R1.29 CSCC(=O)N[C@@H](C)c1ccccc1 62a_100011939912_200000210301 [0,2,0,0,0,0|1,0,0]=3 4356 B14R1.29 CSCC(=O)N[C@@H](C)c1ccccc1 62a_200000210301_100011939912 [0,2,0,0,0,0|1,0,0]=3 4357 B14R1.29 CSCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000184570 [0,2,0,0,0,0|1,0,0]=3 4358 B14R1.29 CSCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000184570 [0,2,0,0,0,0|1,0,0]=3 4359 B14R1.29 CSCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000184570 [0,2,0,0,0,0|1,0,0]=3 4360 B14R1.29 CSCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000184570 [0,2,0,0,0,0|1,0,0]=3 4361 B14R1.29 C[C@@H](NC(=O)C=CBr)c1ccccc1 1626a_100000751104_100016273825 [0,2,0,0,0,0|1,0,1]=4 4362 B14R1.29 C[C@@H](NC(=O)C=CBr)c1ccccc1 240690a_100000751104_100016273825 [0,2,0,0,0,0|1,0,1]=4 4363 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 11a_100000751104_200016279998 [0,2,0,0,0,0|1,0,1]=4 4364 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 1626a_100000751104_200016279998 [0,2,0,0,0,0|1,0,1]=4 4365 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 240690a_100000751104_200016279998 [0,2,0,0,0,0|1,0,1]=4 4366 B14R1.29 C[C@@H](NC(=O)C=CI)c1ccccc1 1626a_100000751104_100016256311 [0,2,0,0,0,0|1,0,1]=4 4367 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccc1 1626a_100000751104_100051588842 [0,2,0,0,0,0|1,0,0]=3 4368 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccc1 240690a_100000751104_100051588842 [0,2,0,0,0,0|1,0,0]=3 4369 B14R1.29 C[C@@H](NC(=O)CCO)c1ccccc1 240690a_100000751104_100011216618 [0,2,0,0,0,0|1,0,0]=3 4370 B14R1.29 C[C@H](NC(=O)CS[13CH3])c1ccccc1 62a_100011939912_200025704644 [0,2,0,0,0,0|1,0,0]=3 4371 B14R1.29 C[C@H](NC(=O)CS[13CH3])c1ccccc1 62a_200025704644_100011939912 [0,2,0,0,0,0|1,0,0]=3 4372 B14R1.29 N#CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011214920 [0,2,0,0,0,0|2,0,0]=4 4373 B14R1.29 N#CCC(=O)CC(O)c1ccccc1 1458a_100051588842_100000185958 [0,2,0,0,0,0|2,0,0]=4 4374 B14R1.29 N#CCC(=O)C[C@@H](O)c1ccccc1 1458a_100051588842_100011933945 [0,2,0,0,0,0|2,0,0]=4 4375 B14R1.29 O=C(CCF)CC(O)c1ccccc1 1458a_100000690199_100011217306 [0,2,0,0,0,0|2,0,0]=4 4376 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100000690199_100000211926 [0,2,0,0,0,0|2,0,0]=4 4377 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100011216618_100000185958 [0,2,0,0,0,0|2,0,0]=4 4378 B14R1.29 O=C(CCO)C[C@@H](O)c1ccccc1 1458a_100011216618_100011933945 [0,2,0,0,0,0|2,0,0]=4 4379 B14R1.58 C#CC(CC)OC(C)c1ccccc1 34a_100000758843_100000211855 [0,2,0,0,0,0|1,0,1]=4 4380 B14R1.58 C#CC(CC)OC(C)c1ccccc1 7a_100000758843_100000230085 [0,2,0,0,0,0|1,0,1]=4 4381 B14R1.58 C=CC(CC)OC(C)c1ccccc1 34a_100000766422_100000211855 [0,2,0,0,0,0|1,0,1]=4 4382 B14R1.58 C=CC(CC)OC(C)c1ccccc1 7a_100000766422_100000230085 [0,2,0,0,0,0|1,0,1]=4 4383 B14R1.58 CC(OC(CCl)CCl)c1ccccc1 7a_100000737055_100000230085 [0,2,0,0,0,0|1,0,1]=4 4384 B14R1.58 CC(OC(CF)CF)c1ccccc1 34a_100000032261_100000211855 [0,2,0,0,0,0|1,0,1]=4 4385 B14R1.58 CC(OC(CF)CF)c1ccccc1 7a_100000032261_100000230085 [0,2,0,0,0,0|1,0,1]=4 4386 B14R1.58 CC(OC(CN)CN)c1ccccc1 34a_100000031598_100000211855 [0,2,0,0,0,0|1,0,1]=4 4387 B14R1.58 CC(O[C@@H](CF)CCl)c1ccccc1 34a_100015614560_100000211855 [0,2,0,0,0,0|1,0,1]=4 4388 B14R1.58 CC(O[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100000230085 [0,2,0,0,0,0|1,0,1]=4 4389 B14R1.58 CCC(CC)OC(C)c1ccccc1 7a_100000688536_100000230085 [0,2,0,0,0,0|1,0,1]=4 4390 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 7a_100000761318_100000210505 [0,2,0,0,0,0|1,0,1]=4 4391 B14R1.58 C[C@@H](OC(C=O)C=O)c1ccccc1 34a_100000761318_100000736813 [0,2,0,0,0,0|0,0,2]=4 4392 B14R1.85 C/C=C(\C)/C(=O)C(C)c1ccccc1 1458a_100020587367_100000230085 [0,2,0,0,0,0|2,0,0]=4 4393 B14R1.85 C=CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100000185746 [0,2,0,0,0,0|1,0,1]=4 4394 B14R1.85 C=CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_200121576911 [0,2,0,0,0,0|1,0,1]=4 4395 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 240690a_100000195388_100000210174 [0,2,0,0,0,0|1,0,0]=3 4396 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 527a_100000195388_100000210174 [0,2,0,0,0,0|1,0,0]=3 4397 B14R1.85 CC(c1ccccn1)N(C)C(=O)CO 240690a_100000231138_100000210174 [0,2,0,0,0,0|2,0,0]=4 4398 B14R1.85 CC(c1ccccn1)N(C)C(=O)CO 527a_100000231138_100000210174 [0,2,0,0,0,0|2,0,0]=4 4399 B14R1.85 CC(c1cccnc1)N(C)C(=O)CO 240690a_100000232774_100000210174 [0,2,0,0,0,0|2,0,0]=4 4400 B14R1.85 CC(c1cccnc1)N(C)C(=O)CO 527a_100000232774_100000210174 [0,2,0,0,0,0|2,0,0]=4 4401 B14R1.85 CC(c1ccncc1)N(C)C(=O)CO 240690a_100000231139_100000210174 [0,2,0,0,0,0|2,0,0]=4 4402 B14R1.85 CC(c1ccncc1)N(C)C(=O)CO 527a_100000231139_100000210174 [0,2,0,0,0,0|2,0,0]=4 4403 B14R1.85 CCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210202 [0,2,0,0,0,0|2,0,0]=4 4404 B14R1.85 CCC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000742827 [0,2,0,0,0,0|2,0,0]=4 4405 B14R1.85 CCC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000742827 [0,2,0,0,0,0|2,0,0]=4 4406 B14R1.85 CCC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100000210414 [0,2,0,0,0,0|1,0,0]=3 4407 B14R1.85 CCC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100000210414 [0,2,0,0,0,0|1,0,0]=3 4408 B14R1.85 CCC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100000210414 [0,2,0,0,0,0|1,0,0]=3 4409 B14R1.85 CCC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100000210414 [0,2,0,0,0,0|1,0,0]=3 4410 B14R1.85 CCC(=O)N(C)C(C)c1ccccn1 11a_100000231138_100000210414 [0,2,0,0,0,0|2,0,0]=4 4411 B14R1.85 CCC(=O)N(C)C(C)c1ccccn1 1626a_100000231138_100000210414 [0,2,0,0,0,0|2,0,0]=4 4412 B14R1.85 CCC(=O)N(C)C(C)c1ccccn1 240690a_100000231138_100000210414 [0,2,0,0,0,0|2,0,0]=4 4413 B14R1.85 CCC(=O)N(C)C(C)c1ccccn1 527a_100000231138_100000210414 [0,2,0,0,0,0|2,0,0]=4 4414 B14R1.85 CCC(=O)N(C)C(C)c1cccnc1 11a_100000232774_100000210414 [0,2,0,0,0,0|2,0,0]=4 4415 B14R1.85 CCC(=O)N(C)C(C)c1cccnc1 240690a_100000232774_100000210414 [0,2,0,0,0,0|2,0,0]=4 4416 B14R1.85 CCC(=O)N(C)C(C)c1cccnc1 527a_100000232774_100000210414 [0,2,0,0,0,0|2,0,0]=4 4417 B14R1.85 CCC(=O)N(C)C(C)c1ccncc1 11a_100000231139_100000210414 [0,2,0,0,0,0|2,0,0]=4 4418 B14R1.85 CCC(=O)N(C)C(C)c1ccncc1 240690a_100000231139_100000210414 [0,2,0,0,0,0|2,0,0]=4 4419 B14R1.85 CCC(=O)N(C)C(C)c1ccncc1 527a_100000231139_100000210414 [0,2,0,0,0,0|2,0,0]=4 4420 B14R1.85 CN(C(=O)C(=O)CF)c1ccccc1 1458a_100011297159_100015361967 [0,2,0,0,0,0|2,0,0]=4 4421 B14R1.85 CNC(=O)C(=O)C(C)c1ccccc1 1458a_100011218921_100000230085 [0,2,0,0,0,0|1,0,0]=3 4422 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 4423 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 4424 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 4425 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 240690a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 4426 B14R1.85 CNC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000731044 [0,2,0,0,0,0|2,0,0]=4 4427 B14R1.85 CNC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000209862 [0,2,0,0,0,0|2,0,0]=4 4428 B14R1.85 CNC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000731044 [0,2,0,0,0,0|2,0,0]=4 4429 B14R1.85 CNC(=O)C(F)N(C)c1ccccc1 2230a_100000210012_100009813575 [0,2,0,0,0,0|2,0,0]=4 4430 B14R1.85 CNC(=O)C(F)N(C)c1ccccc1 269982a_100000210012_100009813575 [0,2,0,0,0,0|2,0,0]=4 4431 B14R1.85 CNC(=O)C(F)N(C)c1ccccc1 34a_100000210012_100009813575 [0,2,0,0,0,0|2,0,0]=4 4432 B14R1.85 CNC(=O)N(C)C(C)c1ccccc1 2708a_100102657272_100000195388 [0,2,0,0,0,0|1,0,0]=3 4433 B14R1.85 CNC(=O)N(C)C(C)c1ccccc1 273464a_100102657272_100000195388 [0,2,0,0,0,0|1,0,0]=3 4434 B14R1.85 CNC(=O)N(C)C(C)c1ccccn1 2708a_100102657272_100000231138 [0,2,0,0,0,0|2,0,0]=4 4435 B14R1.85 CNC(=O)N(C)C(C)c1ccccn1 273464a_100102657272_100000231138 [0,2,0,0,0,0|2,0,0]=4 4436 B14R1.85 CNC(=O)N(C)C(C)c1cccnc1 2708a_100102657272_100000232774 [0,2,0,0,0,0|2,0,0]=4 4437 B14R1.85 CNC(=O)N(C)C(C)c1cccnc1 273464a_100102657272_100000232774 [0,2,0,0,0,0|2,0,0]=4 4438 B14R1.85 CNC(=O)N(C)C(C)c1ccncc1 2708a_100102657272_100000231139 [0,2,0,0,0,0|2,0,0]=4 4439 B14R1.85 CNC(=O)N(C)C(C)c1ccncc1 273464a_100102657272_100000231139 [0,2,0,0,0,0|2,0,0]=4 4440 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100000024059 [0,2,0,0,0,0|2,0,0]=4 4441 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100000024059 [0,2,0,0,0,0|2,0,0]=4 4442 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 4443 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 4444 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 4445 B14R1.290 C#CC(C)(C)OC(C)c1ccccc1 34a_100000189450_100000211855 [0,2,0,0,0,0|1,0,1]=4 4446 B14R1.290 C#CC(C)(C)OC(C)c1ccccc1 7a_100000189450_100000230085 [0,2,0,0,0,0|1,0,1]=4 4447 B14R1.290 C#CC(C)(C)O[C@H](C)c1ccccc1 34a_100000761318_100000038118 [0,2,0,0,0,0|1,0,1]=4 4448 B14R1.290 C=CC(C)(C)OC(C)c1ccccc1 34a_100011215311_100000211855 [0,2,0,0,0,0|1,0,1]=4 4449 B14R1.290 C=CC(C)(C)OC(C)c1ccccc1 7a_100011215311_100000230085 [0,2,0,0,0,0|1,0,1]=4 4450 B14R1.290 CC(OC(C)(C)C#N)c1ccccc1 34a_200015195151_100000211855 [0,2,0,0,0,0|1,0,1]=4 4451 B14R1.290 CC(OC(C)(C)CCl)c1ccccc1 7a_100000764493_100000230085 [0,2,0,0,0,0|1,0,1]=4 4452 B14R1.290 CCC(C)(C)OC(C)c1ccccc1 7a_100000210230_100000230085 [0,2,0,0,0,0|1,0,1]=4 4453 B14R1.290 CCC(C)(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210677 [0,2,0,0,0,0|1,0,1]=4 4454 B14R1.290 CCS(=O)(=O)N[C@H](C)c1ccccc1 270084a_100000751104_100000211323 [0,2,0,0,0,0|2,0,0]=4 4455 B14R1.290 CCS(=O)(=O)N[C@H](C)c1ccccc1 274078a_100000751104_100000211323 [0,2,0,0,0,0|2,0,0]=4 4456 B14R1.290 CCS(=O)(=O)N[C@H](C)c1ccccc1 40a_100000751104_100000053943 [0,2,0,0,0,0|2,0,0]=4 4457 B14R1.290 C[C@@H](NS(=O)(=O)CCl)c1ccccc1 270084a_100000751104_100000031410 [0,2,0,0,0,0|2,0,0]=4 4458 B14R1.290 C[C@@H](NS(=O)(=O)CCl)c1ccccc1 274078a_100000751104_100000031410 [0,2,0,0,0,0|2,0,0]=4 4459 B14R1.290 C[C@@H](OC(C)(C)C#N)c1ccccc1 34a_100000761318_100011162410 [0,2,0,0,0,0|1,0,1]=4 4460 B14R1.290 C[C@@H](OC(C)(C)C#N)c1ccccc1 7a_100000761318_100011162410 [0,2,0,0,0,0|1,0,1]=4 4461 B14R1.587 C#CC(C)OC(C)c1ccccc1Br 34a_100000702211_200000035995 [0,2,0,0,0,0|1,0,1]=4 4462 B14R1.587 C#CC(C)OC(C)c1ccccc1C 34a_100000742021_200000035995 [0,2,0,0,0,0|1,0,1]=4 4463 B14R1.587 C#CC(C)OC(C)c1ccccc1Cl 34a_100000740796_200000035995 [0,2,0,0,0,0|1,0,1]=4 4464 B14R1.587 C#CC(C)OC(C)c1ccccc1F 34a_100000697922_200000035995 [0,2,0,0,0,0|1,0,1]=4 4465 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1Cl 7a_100009815206_100000181259 [0,2,0,0,0,0|1,0,1]=4 4466 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1F 34a_100009815206_200000741388 [0,2,0,0,0,0|1,0,1]=4 4467 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1F 7a_100009815206_200000741388 [0,2,0,0,0,0|1,0,1]=4 4468 B14R1.587 C=CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100000185746 [0,2,0,0,0,0|1,0,1]=4 4469 B14R1.587 C=CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_200121576911 [0,2,0,0,0,0|1,0,1]=4 4470 B14R1.587 C=CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100000185746 [0,2,0,0,0,0|1,0,1]=4 4471 B14R1.587 C=CC(=O)NC(C)c1ccccc1C 240690a_100000181355_200121576911 [0,2,0,0,0,0|1,0,1]=4 4472 B14R1.587 C=CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100000185746 [0,2,0,0,0,0|1,0,1]=4 4473 B14R1.587 C=CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_200121576911 [0,2,0,0,0,0|1,0,1]=4 4474 B14R1.587 C=CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100000185746 [0,2,0,0,0,0|1,0,1]=4 4475 B14R1.587 C=CC(=O)NC(C)c1ccccc1F 240690a_100000181408_200121576911 [0,2,0,0,0,0|1,0,1]=4 4476 B14R1.587 C=CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_200121576911 [0,2,0,0,0,0|1,0,1]=4 4477 B14R1.587 C=CC(C)OC(C)c1ccccc1F 34a_100000695699_200000741388 [0,2,0,0,0,0|1,0,1]=4 4478 B14R1.587 CC(C#N)OC(C)c1ccccc1Br 7a_100000702211_100000703298 [0,2,0,0,0,0|1,0,1]=4 4479 B14R1.587 CC(C#N)OC(C)c1ccccc1Cl 7a_100000740796_100000703298 [0,2,0,0,0,0|1,0,1]=4 4480 B14R1.587 CC(C#N)OC(C)c1ccccc1F 34a_100011218135_200000741388 [0,2,0,0,0,0|1,0,1]=4 4481 B14R1.587 CC(C#N)OC(C)c1ccccc1F 7a_100000697922_100000703298 [0,2,0,0,0,0|1,0,1]=4 4482 B14R1.587 CC(C#N)OC(C)c1ccccc1N 7a_100011405641_100000703298 [0,2,0,0,0,0|1,0,1]=4 4483 B14R1.587 CC(CC(=O)CF)c1ccccc1Br 1458a_100000743458_100015361967 [0,2,0,0,0,0|1,0,0]=3 4484 B14R1.587 CC(CC(=O)CF)c1ccccc1Cl 1458a_100012184337_100015361967 [0,2,0,0,0,0|1,0,0]=3 4485 B14R1.587 CC(CF)OC(C)c1ccccc1Cl 7a_100016041109_100000181259 [0,2,0,0,0,0|1,0,1]=4 4486 B14R1.587 CC(CF)OC(C)c1ccccc1F 34a_100016041109_200000741388 [0,2,0,0,0,0|1,0,1]=4 4487 B14R1.587 CC(CF)OC(C)c1ccccc1F 7a_100016041109_200000741388 [0,2,0,0,0,0|1,0,1]=4 4488 B14R1.587 CC(CN)OC(C)c1ccccc1F 34a_100000210904_200000741388 [0,2,0,0,0,0|1,0,1]=4 4489 B14R1.587 CC(CO)OC(C)c1ccccc1Br 34a_100000702211_100012180447 [0,2,0,0,0,0|0,0,2]=4 4490 B14R1.587 CC(CO)OC(C)c1ccccc1Br 7a_100000702211_100012180447 [0,2,0,0,0,0|0,0,2]=4 4491 B14R1.587 CC(CO)OC(C)c1ccccc1Cl 34a_100000740796_100012180447 [0,2,0,0,0,0|0,0,2]=4 4492 B14R1.587 CC(CO)OC(C)c1ccccc1Cl 7a_100000740796_100012180447 [0,2,0,0,0,0|0,0,2]=4 4493 B14R1.587 CC(CO)OC(C)c1ccccc1F 34a_100000697922_100012180447 [0,2,0,0,0,0|0,0,2]=4 4494 B14R1.587 CC(CO)OC(C)c1ccccc1F 7a_100000697922_100012180447 [0,2,0,0,0,0|0,0,2]=4 4495 B14R1.587 CC(CO)OC(C)c1ccccc1N 7a_100011405641_100012180447 [0,2,0,0,0,0|0,0,2]=4 4496 B14R1.587 CC(NC(=O)CO)c1ccccc1Br 240690a_100000181357_100000210174 [0,2,0,0,0,0|1,0,0]=3 4497 B14R1.587 CC(NC(=O)CO)c1ccccc1Br 527a_100000181357_100000210174 [0,2,0,0,0,0|1,0,0]=3 4498 B14R1.587 CC(NC(=O)CO)c1ccccc1Cl 240690a_100000174978_100000210174 [0,2,0,0,0,0|1,0,0]=3 4499 B14R1.587 CC(NC(=O)CO)c1ccccc1Cl 527a_100000174978_100000210174 [0,2,0,0,0,0|1,0,0]=3 4500 B14R1.587 CC(NC(=O)CO)c1ccccc1F 240690a_100000181408_100000210174 [0,2,0,0,0,0|1,0,0]=3 4501 B14R1.587 CC(NC(=O)CO)c1ccccc1F 527a_100000181408_100000210174 [0,2,0,0,0,0|1,0,0]=3 4502 B14R1.587 CC(NC(=O)CO)c1cccnc1O 240690a_100159269580_100000210174 [0,2,0,0,0,0|2,0,0]=4 4503 B14R1.587 CC(NC(=O)CO)c1cccnc1O 527a_100159269580_100000210174 [0,2,0,0,0,0|2,0,0]=4 4504 B14R1.587 CC(NC(=O)CO)c1ncccc1Br 240690a_100159271932_100000210174 [0,2,0,0,0,0|2,0,0]=4 4505 B14R1.587 CC(NC(=O)CO)c1ncccc1Br 527a_100159271932_100000210174 [0,2,0,0,0,0|2,0,0]=4 4506 B14R1.587 CCC(=O)CC(C)c1ccccc1Br 1458a_100000743458_100000210202 [0,2,0,0,0,0|1,0,0]=3 4507 B14R1.587 CCC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_100000210202 [0,2,0,0,0,0|1,0,0]=3 4508 B14R1.587 CCC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747405 [0,2,0,0,0,0|2,0,0]=4 4509 B14R1.587 CCC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747405 [0,2,0,0,0,0|2,0,0]=4 4510 B14R1.587 CCC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747405 [0,2,0,0,0,0|2,0,0]=4 4511 B14R1.587 CCC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747405 [0,2,0,0,0,0|2,0,0]=4 4512 B14R1.587 CCC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747405 [0,2,0,0,0,0|2,0,0]=4 4513 B14R1.587 CCC(=O)NC(C)c1ccccc1Br 11a_100000181357_100000210414 [0,2,0,0,0,0|1,0,0]=3 4514 B14R1.587 CCC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100000210414 [0,2,0,0,0,0|1,0,0]=3 4515 B14R1.587 CCC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100000210414 [0,2,0,0,0,0|1,0,0]=3 4516 B14R1.587 CCC(=O)NC(C)c1ccccc1Br 527a_100000181357_100000210414 [0,2,0,0,0,0|1,0,0]=3 4517 B14R1.587 CCC(=O)NC(C)c1ccccc1C 11a_100000181355_100000210414 [0,2,0,0,0,0|1,0,0]=3 4518 B14R1.587 CCC(=O)NC(C)c1ccccc1C 1626a_100000181355_100000210414 [0,2,0,0,0,0|1,0,0]=3 4519 B14R1.587 CCC(=O)NC(C)c1ccccc1C 240690a_100000181355_100000210414 [0,2,0,0,0,0|1,0,0]=3 4520 B14R1.587 CCC(=O)NC(C)c1ccccc1C 527a_100000181355_100000210414 [0,2,0,0,0,0|1,0,0]=3 4521 B14R1.587 CCC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100000210414 [0,2,0,0,0,0|1,0,0]=3 4522 B14R1.587 CCC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100000210414 [0,2,0,0,0,0|1,0,0]=3 4523 B14R1.587 CCC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100000210414 [0,2,0,0,0,0|1,0,0]=3 4524 B14R1.587 CCC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100000210414 [0,2,0,0,0,0|1,0,0]=3 4525 B14R1.587 CCC(=O)NC(C)c1ccccc1F 11a_100000181408_100000210414 [0,2,0,0,0,0|1,0,0]=3 4526 B14R1.587 CCC(=O)NC(C)c1ccccc1F 1626a_100000181408_100000210414 [0,2,0,0,0,0|1,0,0]=3 4527 B14R1.587 CCC(=O)NC(C)c1ccccc1F 240690a_100000181408_100000210414 [0,2,0,0,0,0|1,0,0]=3 4528 B14R1.587 CCC(=O)NC(C)c1ccccc1F 527a_100000181408_100000210414 [0,2,0,0,0,0|1,0,0]=3 4529 B14R1.587 CCC(=O)NC(C)c1cccnc1O 11a_100159269580_100000210414 [0,2,0,0,0,0|2,0,0]=4 4530 B14R1.587 CCC(=O)NC(C)c1cccnc1O 240690a_100159269580_100000210414 [0,2,0,0,0,0|2,0,0]=4 4531 B14R1.587 CCC(=O)NC(C)c1cccnc1O 527a_100159269580_100000210414 [0,2,0,0,0,0|2,0,0]=4 4532 B14R1.587 CCC(=O)NC(C)c1ncccc1Br 11a_100159271932_100000210414 [0,2,0,0,0,0|2,0,0]=4 4533 B14R1.587 CCC(=O)NC(C)c1ncccc1Br 1626a_100159271932_100000210414 [0,2,0,0,0,0|2,0,0]=4 4534 B14R1.587 CCC(=O)NC(C)c1ncccc1Br 240690a_100159271932_100000210414 [0,2,0,0,0,0|2,0,0]=4 4535 B14R1.587 CCC(=O)NC(C)c1ncccc1Br 527a_100159271932_100000210414 [0,2,0,0,0,0|2,0,0]=4 4536 B14R1.587 CCC(=O)NC(C)c1ncccc1C 11a_100011536111_100000210414 [0,2,0,0,0,0|2,0,0]=4 4537 B14R1.587 CCC(=O)NC(C)c1ncccc1C 1626a_100011536111_100000210414 [0,2,0,0,0,0|2,0,0]=4 4538 B14R1.587 CCC(=O)NC(C)c1ncccc1C 240690a_100011536111_100000210414 [0,2,0,0,0,0|2,0,0]=4 4539 B14R1.587 CCC(=O)NC(C)c1ncccc1C 527a_100011536111_100000210414 [0,2,0,0,0,0|2,0,0]=4 4540 B14R1.587 CCC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100000210414 [0,2,0,0,0,0|1,0,0]=3 4541 B14R1.587 CCC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100000210414 [0,2,0,0,0,0|1,0,0]=3 4542 B14R1.587 CCC(C)OC(C)c1ccccc1Br 34a_100000702211_100011215416 [0,2,0,0,0,0|1,0,1]=4 4543 B14R1.587 CCC(C)OC(C)c1ccccc1Br 7a_100000702211_100000758301 [0,2,0,0,0,0|1,0,1]=4 4544 B14R1.587 CCC(C)OC(C)c1ccccc1C 34a_100000742021_100011215416 [0,2,0,0,0,0|1,0,1]=4 4545 B14R1.587 CCC(C)OC(C)c1ccccc1C 7a_100000742021_100000758301 [0,2,0,0,0,0|1,0,1]=4 4546 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 34a_100000740796_100011215416 [0,2,0,0,0,0|1,0,1]=4 4547 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000210228_100000181259 [0,2,0,0,0,0|1,0,1]=4 4548 B14R1.587 CCC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000758301 [0,2,0,0,0,0|1,0,1]=4 4549 B14R1.587 CCC(C)OC(C)c1ccccc1F 34a_100000697922_100011215416 [0,2,0,0,0,0|1,0,1]=4 4550 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000210228_200000741388 [0,2,0,0,0,0|1,0,1]=4 4551 B14R1.587 CCC(C)OC(C)c1ccccc1F 7a_100000697922_100000758301 [0,2,0,0,0,0|1,0,1]=4 4552 B14R1.587 CCC(C)OC(C)c1ccccc1N 7a_100011405641_100000758301 [0,2,0,0,0,0|1,0,1]=4 4553 B14R1.587 CNC(=O)CC(C)c1ccccc1Br 11a_106832991635_100000743458 [0,2,0,0,0,0|1,0,0]=3 4554 B14R1.587 CNC(=O)CC(C)c1ccccc1Br 1626a_100102657272_100000743458 [0,2,0,0,0,0|1,0,0]=3 4555 B14R1.587 CNC(=O)CC(C)c1ccccc1Br 240690a_100102657272_100000743458 [0,2,0,0,0,0|1,0,0]=3 4556 B14R1.587 CNC(=O)CC(C)c1ccccc1Br 527a_100102657272_100000743458 [0,2,0,0,0,0|1,0,0]=3 4557 B14R1.587 CNC(=O)CC(C)c1ccccc1Cl 11a_106832991635_100012184337 [0,2,0,0,0,0|1,0,0]=3 4558 B14R1.587 CNC(=O)CC(C)c1ccccc1Cl 1626a_100102657272_100012184337 [0,2,0,0,0,0|1,0,0]=3 4559 B14R1.587 CNC(=O)CC(C)c1ccccc1Cl 240690a_100102657272_100012184337 [0,2,0,0,0,0|1,0,0]=3 4560 B14R1.587 CNC(=O)CC(C)c1ccccc1Cl 527a_100102657272_100012184337 [0,2,0,0,0,0|1,0,0]=3 4561 B14R1.587 CNC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000183359 [0,2,0,0,0,0|2,0,0]=4 4562 B14R1.587 CNC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000183359 [0,2,0,0,0,0|2,0,0]=4 4563 B14R1.587 CNC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000183359 [0,2,0,0,0,0|2,0,0]=4 4564 B14R1.587 CNC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000183359 [0,2,0,0,0,0|2,0,0]=4 4565 B14R1.587 CNC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000183359 [0,2,0,0,0,0|2,0,0]=4 4566 B14R1.587 CNC(=O)CN(C)c1ccccc1C 34a_100000219699_100000183359 [0,2,0,0,0,0|2,0,0]=4 4567 B14R1.587 CNC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000183359 [0,2,0,0,0,0|2,0,0]=4 4568 B14R1.587 CNC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000183359 [0,2,0,0,0,0|2,0,0]=4 4569 B14R1.587 CNC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000183359 [0,2,0,0,0,0|2,0,0]=4 4570 B14R1.587 CNC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000183359 [0,2,0,0,0,0|2,0,0]=4 4571 B14R1.587 CNC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000183359 [0,2,0,0,0,0|2,0,0]=4 4572 B14R1.587 CNC(=O)CN(C)c1ccccc1F 34a_100000220357_100000183359 [0,2,0,0,0,0|2,0,0]=4 4573 B14R1.587 CNC(=O)CN(C)c1ccccc1F 38a_100000220357_100000243848 [0,2,0,0,0,0|2,0,0]=4 4574 B14R1.587 CNC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000183359 [0,2,0,0,0,0|2,0,0]=4 4575 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 2708a_100000181357_106832991635 [0,2,0,0,0,0|1,0,0]=3 4576 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 2708a_100102657272_100000181357 [0,2,0,0,0,0|1,0,0]=3 4577 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 273464a_100000181357_100102657272 [0,2,0,0,0,0|1,0,0]=3 4578 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 273464a_100102657272_100000181357 [0,2,0,0,0,0|1,0,0]=3 4579 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 512a_100000181357_100102657272 [0,2,0,0,0,0|1,0,0]=3 4580 B14R1.587 CNC(=O)NC(C)c1ccccc1Br 512a_106832991638_100000181357 [0,2,0,0,0,0|1,0,0]=3 4581 B14R1.587 CNC(=O)NC(C)c1ccccc1C 2708a_100000181355_106832991635 [0,2,0,0,0,0|1,0,0]=3 4582 B14R1.587 CNC(=O)NC(C)c1ccccc1C 2708a_100102657272_100000181355 [0,2,0,0,0,0|1,0,0]=3 4583 B14R1.587 CNC(=O)NC(C)c1ccccc1C 273464a_100000181355_100102657272 [0,2,0,0,0,0|1,0,0]=3 4584 B14R1.587 CNC(=O)NC(C)c1ccccc1C 273464a_100102657272_100000181355 [0,2,0,0,0,0|1,0,0]=3 4585 B14R1.587 CNC(=O)NC(C)c1ccccc1C 512a_100000181355_100102657272 [0,2,0,0,0,0|1,0,0]=3 4586 B14R1.587 CNC(=O)NC(C)c1ccccc1C 512a_106832991638_100000181355 [0,2,0,0,0,0|1,0,0]=3 4587 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 2708a_100000174978_106832991635 [0,2,0,0,0,0|1,0,0]=3 4588 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 2708a_100102657272_100000174978 [0,2,0,0,0,0|1,0,0]=3 4589 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 273464a_100000174978_100102657272 [0,2,0,0,0,0|1,0,0]=3 4590 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 273464a_100102657272_100000174978 [0,2,0,0,0,0|1,0,0]=3 4591 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 512a_100000174978_100102657272 [0,2,0,0,0,0|1,0,0]=3 4592 B14R1.587 CNC(=O)NC(C)c1ccccc1Cl 512a_106832991638_100000174978 [0,2,0,0,0,0|1,0,0]=3 4593 B14R1.587 CNC(=O)NC(C)c1ccccc1F 2708a_100000181408_106832991635 [0,2,0,0,0,0|1,0,0]=3 4594 B14R1.587 CNC(=O)NC(C)c1ccccc1F 2708a_100102657272_100000181408 [0,2,0,0,0,0|1,0,0]=3 4595 B14R1.587 CNC(=O)NC(C)c1ccccc1F 273464a_100000181408_100102657272 [0,2,0,0,0,0|1,0,0]=3 4596 B14R1.587 CNC(=O)NC(C)c1ccccc1F 273464a_100102657272_100000181408 [0,2,0,0,0,0|1,0,0]=3 4597 B14R1.587 CNC(=O)NC(C)c1ccccc1F 512a_100000181408_100102657272 [0,2,0,0,0,0|1,0,0]=3 4598 B14R1.587 CNC(=O)NC(C)c1ccccc1F 512a_106832991638_100000181408 [0,2,0,0,0,0|1,0,0]=3 4599 B14R1.587 CNC(=O)NC(C)c1cccnc1O 2708a_100102657272_100159269580 [0,2,0,0,0,0|2,0,0]=4 4600 B14R1.587 CNC(=O)NC(C)c1cccnc1O 2708a_100159269580_106832991635 [0,2,0,0,0,0|2,0,0]=4 4601 B14R1.587 CNC(=O)NC(C)c1cccnc1O 273464a_100102657272_100159269580 [0,2,0,0,0,0|2,0,0]=4 4602 B14R1.587 CNC(=O)NC(C)c1cccnc1O 273464a_100159269580_100102657272 [0,2,0,0,0,0|2,0,0]=4 4603 B14R1.587 CNC(=O)NC(C)c1cccnc1O 512a_100159269580_100102657272 [0,2,0,0,0,0|2,0,0]=4 4604 B14R1.587 CNC(=O)NC(C)c1cccnc1O 512a_106832991638_100159269580 [0,2,0,0,0,0|2,0,0]=4 4605 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 2708a_100102657272_100159271932 [0,2,0,0,0,0|2,0,0]=4 4606 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 2708a_100159271932_106832991635 [0,2,0,0,0,0|2,0,0]=4 4607 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 273464a_100102657272_100159271932 [0,2,0,0,0,0|2,0,0]=4 4608 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 273464a_100159271932_100102657272 [0,2,0,0,0,0|2,0,0]=4 4609 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 512a_100159271932_100102657272 [0,2,0,0,0,0|2,0,0]=4 4610 B14R1.587 CNC(=O)NC(C)c1ncccc1Br 512a_106832991638_100159271932 [0,2,0,0,0,0|2,0,0]=4 4611 B14R1.587 CNC(=O)NC(C)c1ncccc1C 2708a_100011536111_106832991635 [0,2,0,0,0,0|2,0,0]=4 4612 B14R1.587 CNC(=O)NC(C)c1ncccc1C 2708a_100102657272_100011536111 [0,2,0,0,0,0|2,0,0]=4 4613 B14R1.587 CNC(=O)NC(C)c1ncccc1C 273464a_100011536111_100102657272 [0,2,0,0,0,0|2,0,0]=4 4614 B14R1.587 CNC(=O)NC(C)c1ncccc1C 273464a_100102657272_100011536111 [0,2,0,0,0,0|2,0,0]=4 4615 B14R1.587 CNC(=O)NC(C)c1ncccc1C 512a_100011536111_100102657272 [0,2,0,0,0,0|2,0,0]=4 4616 B14R1.587 CNC(=O)NC(C)c1ncccc1C 512a_106832991638_100011536111 [0,2,0,0,0,0|2,0,0]=4 4617 B14R1.587 CNC(=O)N[C@H](C)c1ccccc1O 2708a_100025703389_106832991635 [0,2,0,0,0,0|1,0,0]=3 4618 B14R1.587 CNC(=O)N[C@H](C)c1ccccc1O 2708a_100102657272_100025703389 [0,2,0,0,0,0|1,0,0]=3 4619 B14R1.587 CNC(=O)N[C@H](C)c1ccccc1O 273464a_100025703389_100102657272 [0,2,0,0,0,0|1,0,0]=3 4620 B14R1.587 CNC(=O)N[C@H](C)c1ccccc1O 273464a_100102657272_100025703389 [0,2,0,0,0,0|1,0,0]=3 4621 B14R1.587 CNC(=O)N[C@H](C)c1ccccc1O 512a_100025703389_100102657272 [0,2,0,0,0,0|1,0,0]=3 4622 B14R1.587 COC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000747449 [0,2,0,0,0,0|2,0,0]=4 4623 B14R1.587 COC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747449 [0,2,0,0,0,0|2,0,0]=4 4624 B14R1.587 COC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000747449 [0,2,0,0,0,0|2,0,0]=4 4625 B14R1.587 COC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000747449 [0,2,0,0,0,0|2,0,0]=4 4626 B14R1.587 COC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747449 [0,2,0,0,0,0|2,0,0]=4 4627 B14R1.587 COC(=O)CN(C)c1ccccc1C 34a_100000219699_100000747449 [0,2,0,0,0,0|2,0,0]=4 4628 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000747449 [0,2,0,0,0,0|2,0,0]=4 4629 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747449 [0,2,0,0,0,0|2,0,0]=4 4630 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000747449 [0,2,0,0,0,0|2,0,0]=4 4631 B14R1.587 COC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4632 B14R1.587 COC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4633 B14R1.587 COC(=O)CN(C)c1ccccc1F 34a_100000220357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4634 B14R1.587 COC(=O)CN(C)c1ccccc1F 38a_100000220357_100000747449 [0,2,0,0,0,0|2,0,0]=4 4635 B14R1.587 COC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747449 [0,2,0,0,0,0|2,0,0]=4 4636 B14R1.587 C[C@@H](NC(=O)CO)c1ccccc1O 240690a_100025703389_100000210174 [0,2,0,0,0,0|1,0,0]=3 4637 B14R1.587 C[C@@H](NC(=O)CO)c1ccccc1O 527a_100025703389_100000210174 [0,2,0,0,0,0|1,0,0]=3 4638 B14R1.587 Cc1ccccc1C(C)NC(=O)CO 240690a_100000181355_100000210174 [0,2,0,0,0,0|1,0,0]=3 4639 B14R1.587 Cc1ccccc1C(C)NC(=O)CO 527a_100000181355_100000210174 [0,2,0,0,0,0|1,0,0]=3 4640 B14R1.587 Cc1ccccc1C(C)OC(C)C#N 7a_100000742021_100000703298 [0,2,0,0,0,0|1,0,1]=4 4641 B14R1.587 Cc1ccccc1C(C)OC(C)CO 34a_100000742021_100012180447 [0,2,0,0,0,0|0,0,2]=4 4642 B14R1.587 Cc1ccccc1C(C)OC(C)CO 7a_100000742021_100012180447 [0,2,0,0,0,0|0,0,2]=4 4643 B14R1.587 Cc1cccnc1C(C)NC(=O)CO 240690a_100011536111_100000210174 [0,2,0,0,0,0|2,0,0]=4 4644 B14R1.587 Cc1cccnc1C(C)NC(=O)CO 527a_100011536111_100000210174 [0,2,0,0,0,0|2,0,0]=4 4645 B14R1.741 C=CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100000185746 [0,2,0,0,0,0|1,0,1]=4 4646 B14R1.741 C=CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_200121576911 [0,2,0,0,0,0|1,0,1]=4 4647 B14R1.741 CC(C#N)OC(C)(C)c1ccccc1 7a_100000694644_100000703298 [0,2,0,0,0,0|1,0,1]=4 4648 B14R1.741 CC(C)(CC(=O)CF)c1ccccc1 1458a_100011409233_100015361967 [0,2,0,0,0,0|1,0,0]=3 4649 B14R1.741 CC(C)(NC(=O)CO)c1ccccc1 240690a_100011218174_100000210174 [0,2,0,0,0,0|1,0,0]=3 4650 B14R1.741 CC(C)(NC(=O)CO)c1ccccc1 527a_100011218174_100000210174 [0,2,0,0,0,0|1,0,0]=3 4651 B14R1.741 CC(C)(NC(=O)CO)c1ccccn1 240690a_100011999416_100000210174 [0,2,0,0,0,0|2,0,0]=4 4652 B14R1.741 CC(C)(NC(=O)CO)c1ccccn1 527a_100011999416_100000210174 [0,2,0,0,0,0|2,0,0]=4 4653 B14R1.741 CC(C)(NC(=O)CO)c1cccnc1 240690a_100011376175_100000210174 [0,2,0,0,0,0|2,0,0]=4 4654 B14R1.741 CC(C)(NC(=O)CO)c1cccnc1 527a_100011376175_100000210174 [0,2,0,0,0,0|2,0,0]=4 4655 B14R1.741 CC(CO)OC(C)(C)c1ccccc1 7a_100000694644_100012180447 [0,2,0,0,0,0|0,0,2]=4 4656 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210202 [0,2,0,0,0,0|1,0,0]=3 4657 B14R1.741 CCC(=O)C[Si](C)(C)c1ccccc1 1458a_100000210414_100000038972 [0,2,0,0,0,0|1,1,0]=4 4658 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100000210414 [0,2,0,0,0,0|1,0,0]=3 4659 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100000210414 [0,2,0,0,0,0|1,0,0]=3 4660 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100000210414 [0,2,0,0,0,0|1,0,0]=3 4661 B14R1.741 CCC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100000210414 [0,2,0,0,0,0|1,0,0]=3 4662 B14R1.741 CCC(=O)NC(C)(C)c1ccccn1 11a_100011999416_100000210414 [0,2,0,0,0,0|2,0,0]=4 4663 B14R1.741 CCC(=O)NC(C)(C)c1ccccn1 1626a_100011999416_100000210414 [0,2,0,0,0,0|2,0,0]=4 4664 B14R1.741 CCC(=O)NC(C)(C)c1ccccn1 240690a_100011999416_100000210414 [0,2,0,0,0,0|2,0,0]=4 4665 B14R1.741 CCC(=O)NC(C)(C)c1ccccn1 527a_100011999416_100000210414 [0,2,0,0,0,0|2,0,0]=4 4666 B14R1.741 CCC(=O)NC(C)(C)c1cccnc1 11a_100011376175_100000210414 [0,2,0,0,0,0|2,0,0]=4 4667 B14R1.741 CCC(=O)NC(C)(C)c1cccnc1 1626a_100011376175_100000210414 [0,2,0,0,0,0|2,0,0]=4 4668 B14R1.741 CCC(=O)NC(C)(C)c1cccnc1 240690a_100011376175_100000210414 [0,2,0,0,0,0|2,0,0]=4 4669 B14R1.741 CCC(=O)NC(C)(C)c1cccnc1 527a_100011376175_100000210414 [0,2,0,0,0,0|2,0,0]=4 4670 B14R1.741 CCC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000758301 [0,2,0,0,0,0|1,0,1]=4 4671 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 11a_106832991635_100011409233 [0,2,0,0,0,0|1,0,0]=3 4672 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 1626a_100102657272_100011409233 [0,2,0,0,0,0|1,0,0]=3 4673 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 240690a_100102657272_100011409233 [0,2,0,0,0,0|1,0,0]=3 4674 B14R1.741 CNC(=O)CC(C)(C)c1ccccc1 527a_100102657272_100011409233 [0,2,0,0,0,0|1,0,0]=3 4675 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 2708a_100102657272_100011218174 [0,2,0,0,0,0|1,0,0]=3 4676 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 273464a_100011218174_100102657272 [0,2,0,0,0,0|1,0,0]=3 4677 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 273464a_100102657272_100011218174 [0,2,0,0,0,0|1,0,0]=3 4678 B14R1.741 CNC(=O)NC(C)(C)c1ccccc1 512a_100011218174_100102657272 [0,2,0,0,0,0|1,0,0]=3 4679 B14R1.741 CNC(=O)NC(C)(C)c1ccccn1 2708a_100102657272_100011999416 [0,2,0,0,0,0|2,0,0]=4 4680 B14R1.741 CNC(=O)NC(C)(C)c1ccccn1 273464a_100011999416_100102657272 [0,2,0,0,0,0|2,0,0]=4 4681 B14R1.741 CNC(=O)NC(C)(C)c1ccccn1 273464a_100102657272_100011999416 [0,2,0,0,0,0|2,0,0]=4 4682 B14R1.741 CNC(=O)NC(C)(C)c1ccccn1 512a_100011999416_100102657272 [0,2,0,0,0,0|2,0,0]=4 4683 B14R1.741 CNC(=O)NC(C)(C)c1cccnc1 2708a_100102657272_100011376175 [0,2,0,0,0,0|2,0,0]=4 4684 B14R1.741 CNC(=O)NC(C)(C)c1cccnc1 273464a_100011376175_100102657272 [0,2,0,0,0,0|2,0,0]=4 4685 B14R1.741 CNC(=O)NC(C)(C)c1cccnc1 273464a_100102657272_100011376175 [0,2,0,0,0,0|2,0,0]=4 4686 B14R1.741 CNC(=O)NC(C)(C)c1cccnc1 512a_100011376175_100102657272 [0,2,0,0,0,0|2,0,0]=4 4687 B14R1.741 C[Si](C)(CC(=O)CO)c1ccccc1 1458a_100000210174_100000038972 [0,2,0,0,0,0|1,1,0]=4 4688 B14R1.3297 C#CC(C)OC(CC)c1ccccc1 34a_100000698172_200000035995 [0,2,0,0,0,0|1,0,1]=4 4689 B14R1.3297 C#CC(C)OC(CN)c1ccccc1 34a_100000210709_200000035995 [0,2,0,0,0,0|1,0,1]=4 4690 B14R1.3297 C#CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_200000035995 [0,2,0,0,0,0|1,0,1]=4 4691 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000185746 [0,2,0,0,0,0|1,0,1]=4 4692 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_200121576911 [0,2,0,0,0,0|1,0,1]=4 4693 B14R1.3297 C=CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_200121576911 [0,2,0,0,0,0|1,0,1]=4 4694 B14R1.3297 CC(C#N)OC(CBr)c1ccccc1 7a_100000185958_100000703298 [0,2,0,0,0,0|1,0,1]=4 4695 B14R1.3297 CC(C#N)O[C@H](CCl)c1ccccc1 7a_100011933945_100000703298 [0,2,0,0,0,0|1,0,1]=4 4696 B14R1.3297 CC(CO)OC(CBr)c1ccccc1 7a_100000185958_100012180447 [0,2,0,0,0,0|0,0,2]=4 4697 B14R1.3297 CC(CO)OC(CN)c1ccccc1 34a_100000210709_100012180447 [0,2,0,0,0,0|0,0,2]=4 4698 B14R1.3297 CC(CO)O[C@H](CCl)c1ccccc1 34a_100011933945_100012180447 [0,2,0,0,0,0|0,0,2]=4 4699 B14R1.3297 CC(CO)O[C@H](CCl)c1ccccc1 7a_100011933945_100012180447 [0,2,0,0,0,0|0,0,2]=4 4700 B14R1.3297 CCC(=O)CC(C#N)c1ccccc1 1458a_200000079825_100000210202 [0,2,0,0,0,0|1,0,1]=4 4701 B14R1.3297 CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210202 [0,2,0,0,0,0|1,0,0]=3 4702 B14R1.3297 CCC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000747405 [0,2,0,0,0,0|2,0,0]=4 4703 B14R1.3297 CCC(=O)NC(C#N)c1ccccc1 1626a_100020627052_100000210414 [0,2,0,0,0,0|1,0,1]=4 4704 B14R1.3297 CCC(=O)NC(C#N)c1ccccc1 240690a_100020627052_100000210414 [0,2,0,0,0,0|1,0,1]=4 4705 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210414 [0,2,0,0,0,0|1,0,0]=3 4706 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210414 [0,2,0,0,0,0|1,0,0]=3 4707 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210414 [0,2,0,0,0,0|1,0,0]=3 4708 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000210414 [0,2,0,0,0,0|1,0,0]=3 4709 B14R1.3297 CCC(=O)NC(CC)c1ccccn1 11a_100015186561_100000210414 [0,2,0,0,0,0|2,0,0]=4 4710 B14R1.3297 CCC(=O)NC(CC)c1ccccn1 1626a_100015186561_100000210414 [0,2,0,0,0,0|2,0,0]=4 4711 B14R1.3297 CCC(=O)NC(CC)c1ccccn1 240690a_100015186561_100000210414 [0,2,0,0,0,0|2,0,0]=4 4712 B14R1.3297 CCC(=O)NC(CC)c1ccccn1 527a_100015186561_100000210414 [0,2,0,0,0,0|2,0,0]=4 4713 B14R1.3297 CCC(=O)NC(CC)c1cccnc1 11a_100000246009_100000210414 [0,2,0,0,0,0|2,0,0]=4 4714 B14R1.3297 CCC(=O)NC(CC)c1cccnc1 1626a_100000246009_100000210414 [0,2,0,0,0,0|2,0,0]=4 4715 B14R1.3297 CCC(=O)NC(CC)c1cccnc1 240690a_100000246009_100000210414 [0,2,0,0,0,0|2,0,0]=4 4716 B14R1.3297 CCC(=O)NC(CC)c1cccnc1 527a_100000246009_100000210414 [0,2,0,0,0,0|2,0,0]=4 4717 B14R1.3297 CCC(=O)NC(CC)c1ccncc1 11a_100000246010_100000210414 [0,2,0,0,0,0|2,0,0]=4 4718 B14R1.3297 CCC(=O)NC(CC)c1ccncc1 1626a_100000246010_100000210414 [0,2,0,0,0,0|2,0,0]=4 4719 B14R1.3297 CCC(=O)NC(CC)c1ccncc1 240690a_100000246010_100000210414 [0,2,0,0,0,0|2,0,0]=4 4720 B14R1.3297 CCC(=O)NC(CC)c1ccncc1 527a_100000246010_100000210414 [0,2,0,0,0,0|2,0,0]=4 4721 B14R1.3297 CCC(=O)NC(CO)c1ccccn1 240690a_100015196888_100000210414 [0,2,0,0,0,0|2,0,0]=4 4722 B14R1.3297 CCC(=O)NC(CO)c1ccccn1 527a_100015196888_100000210414 [0,2,0,0,0,0|2,0,0]=4 4723 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210414 [0,2,0,0,0,0|1,0,0]=3 4724 B14R1.3297 CCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000210414 [0,2,0,0,0,0|1,0,0]=3 4725 B14R1.3297 CCC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100000210414 [0,2,0,0,0,0|2,0,0]=4 4726 B14R1.3297 CCC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100000210414 [0,2,0,0,0,0|2,0,0]=4 4727 B14R1.3297 CCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000758301 [0,2,0,0,0,0|1,0,1]=4 4728 B14R1.3297 CCC(C)OC(CC)c1ccccc1 34a_100000698172_100011215416 [0,2,0,0,0,0|1,0,1]=4 4729 B14R1.3297 CCC(C)OC(CC)c1ccccc1 7a_100000698172_100000758301 [0,2,0,0,0,0|1,0,1]=4 4730 B14R1.3297 CCC(C)OC(CN)c1ccccc1 34a_100000210709_100011215416 [0,2,0,0,0,0|1,0,1]=4 4731 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100011215416 [0,2,0,0,0,0|1,0,1]=4 4732 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000758301 [0,2,0,0,0,0|1,0,1]=4 4733 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 240690a_100000737752_100000210174 [0,2,0,0,0,0|1,0,0]=3 4734 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 527a_100000737752_100000210174 [0,2,0,0,0,0|1,0,0]=3 4735 B14R1.3297 CCC(NC(=O)CO)c1ccccn1 240690a_100015186561_100000210174 [0,2,0,0,0,0|2,0,0]=4 4736 B14R1.3297 CCC(NC(=O)CO)c1ccccn1 527a_100015186561_100000210174 [0,2,0,0,0,0|2,0,0]=4 4737 B14R1.3297 CCC(NC(=O)CO)c1cccnc1 240690a_100000246009_100000210174 [0,2,0,0,0,0|2,0,0]=4 4738 B14R1.3297 CCC(NC(=O)CO)c1cccnc1 527a_100000246009_100000210174 [0,2,0,0,0,0|2,0,0]=4 4739 B14R1.3297 CCC(NC(=O)CO)c1ccncc1 240690a_100000246010_100000210174 [0,2,0,0,0,0|2,0,0]=4 4740 B14R1.3297 CCC(NC(=O)CO)c1ccncc1 527a_100000246010_100000210174 [0,2,0,0,0,0|2,0,0]=4 4741 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100000737752_106832991635 [0,2,0,0,0,0|1,0,0]=3 4742 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100102657272_100000737752 [0,2,0,0,0,0|1,0,0]=3 4743 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100000737752_100102657272 [0,2,0,0,0,0|1,0,0]=3 4744 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100102657272_100000737752 [0,2,0,0,0,0|1,0,0]=3 4745 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_100000737752_100102657272 [0,2,0,0,0,0|1,0,0]=3 4746 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_106832991638_100000737752 [0,2,0,0,0,0|1,0,0]=3 4747 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 2708a_100015186561_106832991635 [0,2,0,0,0,0|2,0,0]=4 4748 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 2708a_100102657272_100015186561 [0,2,0,0,0,0|2,0,0]=4 4749 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 273464a_100015186561_100102657272 [0,2,0,0,0,0|2,0,0]=4 4750 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 273464a_100102657272_100015186561 [0,2,0,0,0,0|2,0,0]=4 4751 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 512a_100015186561_100102657272 [0,2,0,0,0,0|2,0,0]=4 4752 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 512a_106832991638_100015186561 [0,2,0,0,0,0|2,0,0]=4 4753 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 2708a_100000246009_106832991635 [0,2,0,0,0,0|2,0,0]=4 4754 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 2708a_100102657272_100000246009 [0,2,0,0,0,0|2,0,0]=4 4755 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 273464a_100000246009_100102657272 [0,2,0,0,0,0|2,0,0]=4 4756 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 273464a_100102657272_100000246009 [0,2,0,0,0,0|2,0,0]=4 4757 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 512a_100000246009_100102657272 [0,2,0,0,0,0|2,0,0]=4 4758 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 512a_106832991638_100000246009 [0,2,0,0,0,0|2,0,0]=4 4759 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 2708a_100000246010_106832991635 [0,2,0,0,0,0|2,0,0]=4 4760 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 2708a_100102657272_100000246010 [0,2,0,0,0,0|2,0,0]=4 4761 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 273464a_100000246010_100102657272 [0,2,0,0,0,0|2,0,0]=4 4762 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 273464a_100102657272_100000246010 [0,2,0,0,0,0|2,0,0]=4 4763 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 512a_100000246010_100102657272 [0,2,0,0,0,0|2,0,0]=4 4764 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 512a_106832991638_100000246010 [0,2,0,0,0,0|2,0,0]=4 4765 B14R1.3297 CCC(OC(C)C#N)c1ccccc1 7a_100000698172_100000703298 [0,2,0,0,0,0|1,0,1]=4 4766 B14R1.3297 CCC(OC(C)CO)c1ccccc1 34a_100000698172_100012180447 [0,2,0,0,0,0|0,0,2]=4 4767 B14R1.3297 CCC(OC(C)CO)c1ccccc1 7a_100000698172_100012180447 [0,2,0,0,0,0|0,0,2]=4 4768 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 2230a_100000210013_100000183359 [0,2,0,0,0,0|2,0,0]=4 4769 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 269982a_100000210013_100000183359 [0,2,0,0,0,0|2,0,0]=4 4770 B14R1.3297 CCN(CC(=O)NC)c1ccccc1 34a_100000210013_100000183359 [0,2,0,0,0,0|2,0,0]=4 4771 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000210013_100000747449 [0,2,0,0,0,0|2,0,0]=4 4772 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210202 [0,2,0,0,0,0|2,0,0]=4 4773 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000210013_100000747449 [0,2,0,0,0,0|2,0,0]=4 4774 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000204670 [0,2,0,0,0,0|2,0,0]=4 4775 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 34a_100000210013_100000747449 [0,2,0,0,0,0|2,0,0]=4 4776 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 11a_106832991635_200000079825 [0,2,0,0,0,0|1,0,1]=4 4777 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 1626a_100102657272_200000079825 [0,2,0,0,0,0|1,0,1]=4 4778 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 240690a_100102657272_200000079825 [0,2,0,0,0,0|1,0,1]=4 4779 B14R1.3297 CNC(=O)CC(C#N)c1ccccc1 527a_100102657272_200000079825 [0,2,0,0,0,0|1,0,1]=4 4780 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 1626a_100102657272_106726389045 [0,2,0,0,0,0|1,0,0]=3 4781 B14R1.3297 CNC(=O)CC(CO)c1ccccc1 240690a_100102657272_106726389045 [0,2,0,0,0,0|1,0,0]=3 4782 B14R1.3297 CNC(=O)NC(C#N)c1ccccc1 2708a_100102657272_100020627052 [0,2,0,0,0,0|1,0,1]=4 4783 B14R1.3297 CNC(=O)NC(C#N)c1ccccc1 273464a_100020627052_100102657272 [0,2,0,0,0,0|1,0,1]=4 4784 B14R1.3297 CNC(=O)NC(C#N)c1ccccc1 273464a_100102657272_100020627052 [0,2,0,0,0,0|1,0,1]=4 4785 B14R1.3297 CNC(=O)NC(C#N)c1ccccc1 512a_106832991638_100020627052 [0,2,0,0,0,0|1,0,1]=4 4786 B14R1.3297 CNC(=O)NC(CO)c1ccccn1 2708a_100102657272_100015196888 [0,2,0,0,0,0|2,0,0]=4 4787 B14R1.3297 CNC(=O)NC(CO)c1ccccn1 273464a_100015196888_100102657272 [0,2,0,0,0,0|2,0,0]=4 4788 B14R1.3297 CNC(=O)NC(CO)c1ccccn1 273464a_100102657272_100015196888 [0,2,0,0,0,0|2,0,0]=4 4789 B14R1.3297 CNC(=O)NC(CO)c1ccccn1 512a_106832991638_100015196888 [0,2,0,0,0,0|2,0,0]=4 4790 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 2708a_100102657272_100000751927 [0,2,0,0,0,0|1,0,0]=3 4791 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100102657272 [0,2,0,0,0,0|1,0,0]=3 4792 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100102657272_100000751927 [0,2,0,0,0,0|1,0,0]=3 4793 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 512a_106832991638_100000751927 [0,2,0,0,0,0|1,0,0]=3 4794 B14R1.3297 CNC(=O)N[C@H](CO)c1ccncc1 2708a_100102657272_100138412524 [0,2,0,0,0,0|2,0,0]=4 4795 B14R1.3297 CNC(=O)N[C@H](CO)c1ccncc1 273464a_100102657272_100138412524 [0,2,0,0,0,0|2,0,0]=4 4796 B14R1.3297 CNC(=O)N[C@H](CO)c1ccncc1 273464a_100138412524_100102657272 [0,2,0,0,0,0|2,0,0]=4 4797 B14R1.3297 CNC(=O)N[C@H](CO)c1ccncc1 512a_106832991638_100138412524 [0,2,0,0,0,0|2,0,0]=4 4798 B14R1.3297 COC(=O)CN(CF)c1ccccc1 269982a_100000757779_100015361967 [0,2,0,0,0,0|2,0,0]=4 4799 B14R1.3297 N#CC(CC(=O)CF)c1ccccc1 1458a_200000079825_100015361967 [0,2,0,0,0,0|1,0,1]=4 4800 B14R1.3297 N#CC(NC(=O)CO)c1ccccc1 240690a_100020627052_100000210174 [0,2,0,0,0,0|1,0,1]=4 4801 B14R1.3297 O=C(CF)CC(CO)c1ccccc1 1458a_106726389045_100015361967 [0,2,0,0,0,0|1,0,0]=3 4802 B14R1.3297 O=C(CO)NC(CO)c1ccccn1 240690a_100015196888_100000210174 [0,2,0,0,0,0|2,0,0]=4 4803 B14R1.3297 O=C(CO)NC(CO)c1ccccn1 527a_100015196888_100000210174 [0,2,0,0,0,0|2,0,0]=4 4804 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210174 [0,2,0,0,0,0|1,0,0]=3 4805 B14R1.3297 O=C(CO)N[C@H](CO)c1ccccc1 527a_100000751927_100000210174 [0,2,0,0,0,0|1,0,0]=3 4806 B14R1.3297 O=C(CO)N[C@H](CO)c1ccncc1 240690a_100138412524_100000210174 [0,2,0,0,0,0|2,0,0]=4 4807 B14R1.3297 O=C(CO)N[C@H](CO)c1ccncc1 527a_100138412524_100000210174 [0,2,0,0,0,0|2,0,0]=4 4808 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 11a_200012023546_100015343762 [0,2,0,0,0,0|1,0,0]=3 4809 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 1626a_200012023546_100015343762 [0,2,0,0,0,0|1,0,0]=3 4810 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 240690a_200012023546_100015343762 [0,2,0,0,0,0|1,0,0]=3 4811 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 271570a_100011290941_100000153805 [0,2,0,0,0,0|1,0,0]=3 4812 B14R1.2 C=Cc1ccc(cc1)C(C)NC(=O)C 527a_200012023546_100103153847 [0,2,0,0,0,0|1,0,0]=3 4813 B14R1.2 CC(=O)NC(C)c1ccc(cc1)S[13CH3] 62a_100000153805_200025704644 [0,2,0,0,0,0|1,0,0]=3 4814 B14R1.2 CC(=O)NC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000153805 [0,2,0,0,0,0|1,0,0]=3 4815 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 11a_100016991473_100015343762 [0,2,0,0,0,0|1,0,0]=3 4816 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 1626a_100016991473_100015343762 [0,2,0,0,0,0|1,0,0]=3 4817 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 240690a_100016991473_100015343762 [0,2,0,0,0,0|1,0,0]=3 4818 B14R1.2 CC(=O)N[C@H](C)c1ccc(cc1)C#N 527a_100016991473_100103153847 [0,2,0,0,0,0|1,0,0]=3 4819 B14R1.2 CC(C)OC(C)c1ccc(cc1)CN 34a_200000048501_100000210206 [0,2,0,0,0,0|1,0,1]=4 4820 B14R1.2 CC(C)O[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210206 [0,2,0,0,0,0|1,0,1]=4 4821 B14R1.2 CC(C)O[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210206 [0,2,0,0,0,0|1,0,1]=4 4822 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 11a_100015186439_100015343762 [0,2,0,0,0,0|1,0,0]=3 4823 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 1626a_100015186439_100015343762 [0,2,0,0,0,0|1,0,0]=3 4824 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 240690a_100015186439_100015343762 [0,2,0,0,0,0|1,0,0]=3 4825 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C 527a_100015186439_100103153847 [0,2,0,0,0,0|1,0,0]=3 4826 B14R1.2 CCc1ccc(cc1)C(C)OC(C)C 34a_100011232672_100000210206 [0,2,0,0,0,0|1,0,1]=4 4827 B14R1.2 CCc1ccc(cc1)C(C)OC(C)C 7a_100011232672_100000210206 [0,2,0,0,0,0|1,0,1]=4 4828 B14R1.2 COc1ccc(cc1)C(C)OC(C)C 34a_100000742907_100000210206 [0,2,0,0,0,0|1,0,1]=4 4829 B14R1.2 COc1ccc(cc1)C(C)OC(C)C 7a_100000742907_100000210206 [0,2,0,0,0,0|1,0,1]=4 4830 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 11a_100011830352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4831 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 1626a_100011830352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4832 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 240690a_100011830352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4833 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 527a_100011830352_100103153847 [0,2,0,0,0,0|1,0,0]=3 4834 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 11a_100000738722_100015343762 [0,2,0,0,0,0|1,0,0]=3 4835 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 240690a_100000738722_100015343762 [0,2,0,0,0,0|1,0,0]=3 4836 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 527a_100000738722_100103153847 [0,2,0,0,0,0|1,0,0]=3 4837 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 62a_100000153805_200000210301 [0,2,0,0,0,0|1,0,0]=3 4838 B14R1.2 CSc1ccc(cc1)C(C)NC(=O)C 62a_200000210301_100000153805 [0,2,0,0,0,0|1,0,0]=3 4839 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)Br 1458a_100000185857_100000755118 [0,2,0,0,0,0|2,0,0]=4 4840 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)C 1458a_100000185857_100011261388 [0,2,0,0,0,0|2,0,0]=4 4841 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)Cl 1458a_100000185857_100000684792 [0,2,0,0,0,0|2,0,0]=4 4842 B14R1.132 C=C(C)C(=O)C(C)c1ccc(cc1)F 1458a_100000185857_100000743420 [0,2,0,0,0,0|2,0,0]=4 4843 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100009814033 [0,2,0,0,0,0|2,0,0]=4 4844 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100009814033 [0,2,0,0,0,0|2,0,0]=4 4845 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)C 2230a_100000219977_100009814033 [0,2,0,0,0,0|2,0,0]=4 4846 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)C 269982a_100000219977_100009814033 [0,2,0,0,0,0|2,0,0]=4 4847 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100009814033 [0,2,0,0,0,0|2,0,0]=4 4848 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100009814033 [0,2,0,0,0,0|2,0,0]=4 4849 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)F 2230a_100000219829_100009814033 [0,2,0,0,0,0|2,0,0]=4 4850 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)F 269982a_100000219829_100009814033 [0,2,0,0,0,0|2,0,0]=4 4851 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)I 2230a_100000743151_100009814033 [0,2,0,0,0,0|2,0,0]=4 4852 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)I 269982a_100000743151_100009814033 [0,2,0,0,0,0|2,0,0]=4 4853 B14R1.132 CC(=O)C(C)N(C)c1ccc(cc1)O 269982a_100000182112_100009814033 [0,2,0,0,0,0|2,0,0]=4 4854 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Br 11a_100000231103_100015343762 [0,2,0,0,0,0|1,0,0]=3 4855 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Br 240690a_100000231103_100015343762 [0,2,0,0,0,0|1,0,0]=3 4856 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Br 527a_100000231103_100103153847 [0,2,0,0,0,0|1,0,0]=3 4857 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 11a_100000231102_100015343762 [0,2,0,0,0,0|1,0,0]=3 4858 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 1626a_100000231102_100015343762 [0,2,0,0,0,0|1,0,0]=3 4859 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 240690a_100000231102_100015343762 [0,2,0,0,0,0|1,0,0]=3 4860 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)Cl 527a_100000231102_100103153847 [0,2,0,0,0,0|1,0,0]=3 4861 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)F 11a_100000222788_100015343762 [0,2,0,0,0,0|1,0,0]=3 4862 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)F 1626a_100000222788_100015343762 [0,2,0,0,0,0|1,0,0]=3 4863 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)F 240690a_100000222788_100015343762 [0,2,0,0,0,0|1,0,0]=3 4864 B14R1.683 CC(NS(=O)(=O)C)c1ccc(cc1)O 271570a_203496583355_200000222457 [0,2,0,0,0,0|2,0,0]=4 4865 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)Br 34a_100000745893_100000210625 [0,2,0,0,0,0|1,0,1]=4 4866 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)Br 34a_100015890283_100000755118 [0,2,0,0,0,0|1,0,1]=4 4867 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)Cl 7a_100015890283_100000684792 [0,2,0,0,0,0|1,0,1]=4 4868 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)F 34a_100000181323_100000210625 [0,2,0,0,0,0|1,0,1]=4 4869 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)F 34a_100015890283_100000743420 [0,2,0,0,0,0|1,0,1]=4 4870 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)F 7a_100015890283_100000743420 [0,2,0,0,0,0|1,0,1]=4 4871 B14R1.683 CC(OC(C)(C)C)c1ccc(cc1)N 34a_100011216399_100000210625 [0,2,0,0,0,0|1,0,1]=4 4872 B14R1.683 C[C@@H](NS(=O)(=O)C)c1ccc(cc1)Br 40a_100000720352_100000738038 [0,2,0,0,0,0|2,0,0]=4 4873 B14R1.683 C[C@@H](NS(=O)(=O)C)c1ccc(cc1)Cl 40a_100015205461_100000738038 [0,2,0,0,0,0|2,0,0]=4 4874 B14R1.683 C[C@H](NS(=O)(=O)C)c1ccc(cc1)F 40a_100025705893_100000738038 [0,2,0,0,0,0|2,0,0]=4 4875 B14R1.683 C[C@H](NS(=O)(=O)C)c1ccc(cc1)I 40a_100000753911_100000738038 [0,2,0,0,0,0|2,0,0]=4 4876 B14R1.683 C[C@H](NS(=O)(=O)C)c1ccc(cc1)O 40a_100161106496_100000738038 [0,2,0,0,0,0|2,0,0]=4 4877 B14R1.683 C[C@H](OC(C)(C)C)c1ccc(cc1)Cl 34a_100011852131_100000210625 [0,2,0,0,0,0|1,0,1]=4 4878 B14R1.683 Cc1ccc(cc1)C(C)OC(C)(C)C 34a_100015890283_100011261388 [0,2,0,0,0,0|1,0,1]=4 4879 B14R1.683 Cc1ccc(cc1)C(C)OC(C)(C)C 7a_100015890283_100011261388 [0,2,0,0,0,0|1,0,1]=4 4880 B14R1.683 Cc1ccc(cc1)[C@@H](C)NS(=O)(=O)C 40a_100016988085_100000738038 [0,2,0,0,0,0|2,0,0]=4 4881 B14R1.683 Cc1ccc(cc1)[C@@H](C)OC(C)(C)C 34a_100000690690_100000210625 [0,2,0,0,0,0|1,0,1]=4 4882 B14R1.685 CC(=O)C[C@@H](O)c1ccc(c(c1)F)F 1458a_100000070787_100000761251 [0,2,0,0,0,0|2,0,0]=4 4883 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)C)F 11a_100000705826_100015343762 [0,2,0,0,0,0|1,0,0]=3 4884 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)C)F 1626a_100000705826_100015343762 [0,2,0,0,0,0|1,0,0]=3 4885 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)C)F 240690a_100000705826_100015343762 [0,2,0,0,0,0|1,0,0]=3 4886 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)C)F 527a_100000705826_100103153847 [0,2,0,0,0,0|1,0,0]=3 4887 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)C 11a_100012005020_100015343762 [0,2,0,0,0,0|1,0,0]=3 4888 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)C 1626a_100012005020_100015343762 [0,2,0,0,0,0|1,0,0]=3 4889 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)C 240690a_100012005020_100015343762 [0,2,0,0,0,0|1,0,0]=3 4890 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)C 527a_100012005020_100103153847 [0,2,0,0,0,0|1,0,0]=3 4891 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 11a_100000743459_100015343762 [0,2,0,0,0,0|1,0,0]=3 4892 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 1626a_100000743459_100015343762 [0,2,0,0,0,0|1,0,0]=3 4893 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 240690a_100000743459_100015343762 [0,2,0,0,0,0|1,0,0]=3 4894 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)Cl)Cl 527a_100000743459_100103153847 [0,2,0,0,0,0|1,0,0]=3 4895 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)F)F 11a_100000756309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4896 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)F)F 1626a_100000756309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4897 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)F)F 240690a_100000756309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4898 B14R1.685 CC(=O)NC(C)c1ccc(c(c1)F)F 527a_100000756309_100103153847 [0,2,0,0,0,0|1,0,0]=3 4899 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)Br)F 11a_100000753309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4900 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)Br)F 1626a_100000753309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4901 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)Br)F 240690a_100000753309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4902 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)Br)F 527a_100000753309_100103153847 [0,2,0,0,0,0|1,0,0]=3 4903 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)Br 11a_100134618348_100015343762 [0,2,0,0,0,0|1,0,0]=3 4904 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)Br 1626a_100134618348_100015343762 [0,2,0,0,0,0|1,0,0]=3 4905 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)Br 240690a_100134618348_100015343762 [0,2,0,0,0,0|1,0,0]=3 4906 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)Br 527a_100134618348_100103153847 [0,2,0,0,0,0|1,0,0]=3 4907 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)C 11a_100011997884_100015343762 [0,2,0,0,0,0|1,0,0]=3 4908 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)C 1626a_100011997884_100015343762 [0,2,0,0,0,0|1,0,0]=3 4909 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)C 240690a_100011997884_100015343762 [0,2,0,0,0,0|1,0,0]=3 4910 B14R1.685 CC(=O)N[C@@H](C)c1ccc(c(c1)F)C 527a_100011997884_100103153847 [0,2,0,0,0,0|1,0,0]=3 4911 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)C)C 11a_100015184928_100015343762 [0,2,0,0,0,0|1,0,0]=3 4912 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)C)C 1626a_100015184928_100015343762 [0,2,0,0,0,0|1,0,0]=3 4913 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)C)C 240690a_100015184928_100015343762 [0,2,0,0,0,0|1,0,0]=3 4914 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)C)C 527a_100015184928_100103153847 [0,2,0,0,0,0|1,0,0]=3 4915 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)Cl)F 11a_100016987892_100015343762 [0,2,0,0,0,0|1,0,0]=3 4916 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)Cl)F 1626a_100016987892_100015343762 [0,2,0,0,0,0|1,0,0]=3 4917 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)Cl)F 240690a_100016987892_100015343762 [0,2,0,0,0,0|1,0,0]=3 4918 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)Cl)F 527a_100016987892_100103153847 [0,2,0,0,0,0|1,0,0]=3 4919 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 11a_100016987903_100015343762 [0,2,0,0,0,0|1,0,0]=3 4920 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 1626a_100016987903_100015343762 [0,2,0,0,0,0|1,0,0]=3 4921 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 240690a_100016987903_100015343762 [0,2,0,0,0,0|1,0,0]=3 4922 B14R1.685 CC(=O)N[C@H](C)c1ccc(c(c1)F)Cl 527a_100016987903_100103153847 [0,2,0,0,0,0|1,0,0]=3 4923 B14R1.685 CC(C)OC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210206 [0,2,0,0,0,0|1,0,1]=4 4924 B14R1.685 CC(C)OC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210206 [0,2,0,0,0,0|1,0,1]=4 4925 B14R1.685 CC(C)OC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210206 [0,2,0,0,0,0|1,0,1]=4 4926 B14R1.685 CC(C)OC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210206 [0,2,0,0,0,0|1,0,1]=4 4927 B14R1.685 CC(C)OC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210206 [0,2,0,0,0,0|1,0,1]=4 4928 B14R1.685 CC(C)OC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210206 [0,2,0,0,0,0|1,0,1]=4 4929 B14R1.685 CC(C)OC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210206 [0,2,0,0,0,0|1,0,1]=4 4930 B14R1.685 CC(C)OC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210206 [0,2,0,0,0,0|1,0,1]=4 4931 B14R1.694 CC(=O)CC(C)(C)c1ccc(cc1)C 1458a_200000181290_200000210301 [0,2,0,0,0,0|1,0,0]=3 4932 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 11a_100000739617_100015343762 [0,2,0,0,0,0|1,0,0]=3 4933 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 1626a_100000739617_100015343762 [0,2,0,0,0,0|1,0,0]=3 4934 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 240690a_100000739617_100015343762 [0,2,0,0,0,0|1,0,0]=3 4935 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br 527a_100000739617_100103153847 [0,2,0,0,0,0|1,0,0]=3 4936 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 11a_200011345931_100015343762 [0,2,0,0,0,0|1,0,0]=3 4937 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 1626a_200011345931_100015343762 [0,2,0,0,0,0|1,0,0]=3 4938 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 240690a_200011345931_100015343762 [0,2,0,0,0,0|1,0,0]=3 4939 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)C 527a_200011345931_100103153847 [0,2,0,0,0,0|1,0,0]=3 4940 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 11a_100000750703_100015343762 [0,2,0,0,0,0|1,0,0]=3 4941 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 1626a_100000750703_100015343762 [0,2,0,0,0,0|1,0,0]=3 4942 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 240690a_100000750703_100015343762 [0,2,0,0,0,0|1,0,0]=3 4943 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Cl 527a_100000750703_100103153847 [0,2,0,0,0,0|1,0,0]=3 4944 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 11a_100015193028_100015343762 [0,2,0,0,0,0|1,0,0]=3 4945 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 1626a_100015193028_100015343762 [0,2,0,0,0,0|1,0,0]=3 4946 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 240690a_100015193028_100015343762 [0,2,0,0,0,0|1,0,0]=3 4947 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)F 527a_100015193028_100103153847 [0,2,0,0,0,0|1,0,0]=3 4948 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210206 [0,2,0,0,0,0|1,0,1]=4 4949 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210206 [0,2,0,0,0,0|1,0,1]=4 4950 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210206 [0,2,0,0,0,0|1,0,1]=4 4951 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210206 [0,2,0,0,0,0|1,0,1]=4 4952 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210206 [0,2,0,0,0,0|1,0,1]=4 4953 B14R1.694 CC(C)OC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210206 [0,2,0,0,0,0|1,0,1]=4 4954 B14R1.694 Cc1ccc(cc1)C(C)(C)CC(=O)[13CH3] 1458a_200000181290_200025704644 [0,2,0,0,0,0|1,0,0]=3 4955 B14R1.694 Cc1ccc(cc1)C(C)(C)OC(C)C 34a_200011345916_100000210206 [0,2,0,0,0,0|1,0,1]=4 4956 B14R1.694 Cc1ccc(cc1)C(C)(C)OC(C)C 7a_200011345916_100000210206 [0,2,0,0,0,0|1,0,1]=4 4957 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Br 1626a_106722365845_100015343762 [0,2,0,0,0,0|1,0,1]=4 4958 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Br 240690a_106722365845_100015343762 [0,2,0,0,0,0|1,0,1]=4 4959 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 11a_100000747793_100015343762 [0,2,0,0,0,0|1,0,1]=4 4960 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 1626a_100000747793_100015343762 [0,2,0,0,0,0|1,0,1]=4 4961 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl 240690a_100000747793_100015343762 [0,2,0,0,0,0|1,0,1]=4 4962 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)F 1626a_100020612109_100015343762 [0,2,0,0,0,0|1,0,1]=4 4963 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)F 240690a_100020612109_100015343762 [0,2,0,0,0,0|1,0,1]=4 4964 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100015343762 [0,2,0,0,0,0|1,0,0]=3 4965 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 527a_100000734186_100103153847 [0,2,0,0,0,0|1,0,0]=3 4966 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 240690a_100000705410_100015343762 [0,2,0,0,0,0|1,0,0]=3 4967 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)F 527a_100000705410_100103153847 [0,2,0,0,0,0|1,0,0]=3 4968 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 240690a_100009818840_100015343762 [0,2,0,0,0,0|1,0,0]=3 4969 B14R1.1019 CC(=O)N[C@@H](CO)c1ccc(cc1)C 527a_100009818840_100103153847 [0,2,0,0,0,0|1,0,0]=3 4970 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 240690a_100009818818_100015343762 [0,2,0,0,0,0|1,0,0]=3 4971 B14R1.1019 CC(=O)N[C@H](CO)c1ccc(cc1)Cl 527a_100009818818_100103153847 [0,2,0,0,0,0|1,0,0]=3 4972 B14R1.1019 CC(C)OC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210206 [0,2,0,0,0,0|1,0,1]=4 4973 B14R1.1019 CC(C)OC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210206 [0,2,0,0,0,0|1,0,1]=4 4974 B14R1.1019 CC(C)OC(CN)c1ccc(cc1)Br 34a_100020626992_100000210206 [0,2,0,0,0,0|1,0,1]=4 4975 B14R1.1019 CC(C)OC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210206 [0,2,0,0,0,0|1,0,1]=4 4976 B14R1.1019 CC(C)O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210206 [0,2,0,0,0,0|1,0,1]=4 4977 B14R1.1019 CC(C)O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210206 [0,2,0,0,0,0|1,0,1]=4 4978 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 11a_100000749201_100015343762 [0,2,0,0,0,0|1,0,0]=3 4979 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 1626a_100000749201_100015343762 [0,2,0,0,0,0|1,0,0]=3 4980 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 240690a_100000749201_100015343762 [0,2,0,0,0,0|1,0,0]=3 4981 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C 527a_100000749201_100103153847 [0,2,0,0,0,0|1,0,0]=3 4982 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 11a_100011191751_100015343762 [0,2,0,0,0,0|1,0,0]=3 4983 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 1626a_100011191751_100015343762 [0,2,0,0,0,0|1,0,0]=3 4984 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 240690a_100011191751_100015343762 [0,2,0,0,0,0|1,0,0]=3 4985 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)F 527a_100011191751_100103153847 [0,2,0,0,0,0|1,0,0]=3 4986 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 1626a_100015187210_100015343762 [0,2,0,0,0,0|1,0,0]=3 4987 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 240690a_100015187210_100015343762 [0,2,0,0,0,0|1,0,0]=3 4988 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 527a_100015187210_100103153847 [0,2,0,0,0,0|1,0,0]=3 4989 B14R1.1019 CCC(NC(=O)C)c1ccc(cn1)C 11a_100015185231_100015343762 [0,2,0,0,0,0|2,0,0]=4 4990 B14R1.1019 CCC(NC(=O)C)c1ccc(cn1)C 1626a_100015185231_100015343762 [0,2,0,0,0,0|2,0,0]=4 4991 B14R1.1019 CCC(NC(=O)C)c1ccc(cn1)C 240690a_100015185231_100015343762 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.1019 CCC(NC(=O)C)c1ccc(cn1)C 527a_100015185231_100103153847 [0,2,0,0,0,0|2,0,0]=4 4993 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Br 34a_100000246506_100000210206 [0,2,0,0,0,0|1,0,1]=4 4994 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Br 7a_100000246506_100000210206 [0,2,0,0,0,0|1,0,1]=4 4995 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)C 34a_100000246521_100000210206 [0,2,0,0,0,0|1,0,1]=4 4996 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)C 7a_100000246521_100000210206 [0,2,0,0,0,0|1,0,1]=4 4997 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Cl 34a_100000246471_100000210206 [0,2,0,0,0,0|1,0,1]=4 4998 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)Cl 7a_100000246471_100000210206 [0,2,0,0,0,0|1,0,1]=4 4999 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)F 34a_100000246474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5000 B14R1.1019 CCC(OC(C)C)c1ccc(cc1)F 7a_100000246474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5001 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 11a_100025736560_100015343762 [0,2,0,0,0,0|1,0,0]=3 5002 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 1626a_100025736560_100015343762 [0,2,0,0,0,0|1,0,0]=3 5003 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 240690a_100025736560_100015343762 [0,2,0,0,0,0|1,0,0]=3 5004 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Br 527a_100025736560_100103153847 [0,2,0,0,0,0|1,0,0]=3 5005 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 11a_100015186824_100015343762 [0,2,0,0,0,0|1,0,0]=3 5006 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 1626a_100015186824_100015343762 [0,2,0,0,0,0|1,0,0]=3 5007 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 240690a_100015186824_100015343762 [0,2,0,0,0,0|1,0,0]=3 5008 B14R1.1019 CC[C@H](NC(=O)C)c1ccc(cc1)Cl 527a_100015186824_100103153847 [0,2,0,0,0,0|1,0,0]=3 5009 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200000210301 [0,2,0,0,0,0|2,0,0]=4 5010 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5011 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200000210301 [0,2,0,0,0,0|2,0,0]=4 5012 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200000210301 [0,2,0,0,0,0|2,0,0]=4 5013 B14R1.1019 CN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200000210301 [0,2,0,0,0,0|2,0,0]=4 5014 B14R1.1019 Cc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_100000183803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5015 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200025704644 [0,2,0,0,0,0|2,0,0]=4 5016 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200025704644 [0,2,0,0,0,0|2,0,0]=4 5017 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200025704644 [0,2,0,0,0,0|2,0,0]=4 5018 B14R1.1019 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200025704644 [0,2,0,0,0,0|2,0,0]=4 5019 B14R1.6048 CC(=O)C[C@@H](O)c1ccc(cc1F)F 1458a_100000070787_100000761269 [0,2,0,0,0,0|2,0,0]=4 5020 B14R1.6048 CC(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000070787_100000761231 [0,2,0,0,0,0|2,0,0]=4 5021 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 11a_100000179772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5022 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 1626a_100000179772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5023 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 240690a_100000179772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5024 B14R1.6048 CC(=O)NC(C)c1ccc(cc1Cl)Cl 527a_100000179772_100103153847 [0,2,0,0,0,0|1,0,0]=3 5025 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)Br 11a_100000730447_100015343762 [0,2,0,0,0,0|1,0,0]=3 5026 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)Br 1626a_100000730447_100015343762 [0,2,0,0,0,0|1,0,0]=3 5027 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)Br 240690a_100000730447_100015343762 [0,2,0,0,0,0|1,0,0]=3 5028 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)Br 527a_100000730447_100103153847 [0,2,0,0,0,0|1,0,0]=3 5029 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)F 11a_100000181410_100015343762 [0,2,0,0,0,0|1,0,0]=3 5030 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)F 1626a_100000181410_100015343762 [0,2,0,0,0,0|1,0,0]=3 5031 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)F 240690a_100000181410_100015343762 [0,2,0,0,0,0|1,0,0]=3 5032 B14R1.6048 CC(=O)NC(C)c1ccc(cc1F)F 527a_100000181410_100103153847 [0,2,0,0,0,0|1,0,0]=3 5033 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)C 11a_100000745882_100015343762 [0,2,0,0,0,0|1,0,0]=3 5034 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)C 1626a_100000745882_100015343762 [0,2,0,0,0,0|1,0,0]=3 5035 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)C 240690a_100000745882_100015343762 [0,2,0,0,0,0|1,0,0]=3 5036 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)C 527a_100000745882_100103153847 [0,2,0,0,0,0|1,0,0]=3 5037 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 11a_100020633667_100015343762 [0,2,0,0,0,0|1,0,0]=3 5038 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 1626a_100020633667_100015343762 [0,2,0,0,0,0|1,0,0]=3 5039 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 240690a_100020633667_100015343762 [0,2,0,0,0,0|1,0,0]=3 5040 B14R1.6048 CC(=O)N[C@@H](C)c1ccc(cc1C)Cl 527a_100020633667_100103153847 [0,2,0,0,0,0|1,0,0]=3 5041 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Br)F 11a_100025704064_100015343762 [0,2,0,0,0,0|1,0,0]=3 5042 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Br)F 1626a_100025704064_100015343762 [0,2,0,0,0,0|1,0,0]=3 5043 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Br)F 240690a_100025704064_100015343762 [0,2,0,0,0,0|1,0,0]=3 5044 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Br)F 527a_100025704064_100103153847 [0,2,0,0,0,0|1,0,0]=3 5045 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Cl)F 11a_100015196781_100015343762 [0,2,0,0,0,0|1,0,0]=3 5046 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Cl)F 1626a_100015196781_100015343762 [0,2,0,0,0,0|1,0,0]=3 5047 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Cl)F 240690a_100015196781_100015343762 [0,2,0,0,0,0|1,0,0]=3 5048 B14R1.6048 CC(=O)N[C@H](C)c1ccc(cc1Cl)F 527a_100015196781_100103153847 [0,2,0,0,0,0|1,0,0]=3 5049 B14R1.6048 CC(=O)N[C@H](C)c1ncc(cc1Cl)Cl 11a_100012001814_100015343762 [0,2,0,0,0,0|2,0,0]=4 5050 B14R1.6048 CC(=O)N[C@H](C)c1ncc(cc1Cl)Cl 1626a_100012001814_100015343762 [0,2,0,0,0,0|2,0,0]=4 5051 B14R1.6048 CC(=O)N[C@H](C)c1ncc(cc1Cl)Cl 240690a_100012001814_100015343762 [0,2,0,0,0,0|2,0,0]=4 5052 B14R1.6048 CC(=O)N[C@H](C)c1ncc(cc1Cl)Cl 527a_100012001814_100103153847 [0,2,0,0,0,0|2,0,0]=4 5053 B14R1.6048 CC(C)OC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210206 [0,2,0,0,0,0|1,0,1]=4 5054 B14R1.6048 CC(C)OC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210206 [0,2,0,0,0,0|1,0,1]=4 5055 B14R1.6048 CC(C)OC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210206 [0,2,0,0,0,0|1,0,1]=4 5056 B14R1.6048 CC(C)OC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210206 [0,2,0,0,0,0|1,0,1]=4 5057 B14R1.6048 CC(C)OC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210206 [0,2,0,0,0,0|1,0,1]=4 5058 B14R1.6048 CC(C)OC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210206 [0,2,0,0,0,0|1,0,1]=4 5059 B14R1.6048 CC(C)OC(C)c1ccc(cc1F)F 34a_200000246518_100000210206 [0,2,0,0,0,0|1,0,1]=4 5060 B14R1.6048 CC(C)OC(C)c1ccc(cc1F)F 7a_200000246518_100000210206 [0,2,0,0,0,0|1,0,1]=4 5061 B14R1.6048 Cc1ccc(c(c1)C)C(C)OC(C)C 34a_100000246504_100000210206 [0,2,0,0,0,0|1,0,1]=4 5062 B14R1.6048 Cc1ccc(c(c1)C)C(C)OC(C)C 7a_100000246504_100000210206 [0,2,0,0,0,0|1,0,1]=4 5063 B14R1.74 CC(=O)NC(C)c1cccc(c1)C#N 11a_100016987922_100015343762 [0,2,0,0,0,0|1,0,0]=3 5064 B14R1.74 CC(=O)NC(C)c1cccc(c1)C#N 1626a_100016987922_100015343762 [0,2,0,0,0,0|1,0,0]=3 5065 B14R1.74 CC(=O)NC(C)c1cccc(c1)C#N 240690a_100016987922_100015343762 [0,2,0,0,0,0|1,0,0]=3 5066 B14R1.74 CC(=O)NC(C)c1cccc(c1)C#N 527a_100016987922_100103153847 [0,2,0,0,0,0|1,0,0]=3 5067 B14R1.74 COc1cc(ccn1)[C@H](C)NC(=O)C 11a_100012186823_100015343762 [0,2,0,0,0,0|2,0,0]=4 5068 B14R1.74 COc1cc(ccn1)[C@H](C)NC(=O)C 1626a_100012186823_100015343762 [0,2,0,0,0,0|2,0,0]=4 5069 B14R1.74 COc1cc(ccn1)[C@H](C)NC(=O)C 240690a_100012186823_100015343762 [0,2,0,0,0,0|2,0,0]=4 5070 B14R1.74 COc1cc(ccn1)[C@H](C)NC(=O)C 527a_100012186823_100103153847 [0,2,0,0,0,0|2,0,0]=4 5071 B14R1.74 COc1cccc(c1)C(C)NC(=O)C 11a_100000737859_100015343762 [0,2,0,0,0,0|1,0,0]=3 5072 B14R1.74 COc1cccc(c1)C(C)NC(=O)C 1626a_100000737859_100015343762 [0,2,0,0,0,0|1,0,0]=3 5073 B14R1.74 COc1cccc(c1)C(C)NC(=O)C 240690a_100000737859_100015343762 [0,2,0,0,0,0|1,0,0]=3 5074 B14R1.74 COc1cccc(c1)C(C)NC(=O)C 527a_100000737859_100103153847 [0,2,0,0,0,0|1,0,0]=3 5075 B14R1.74 COc1cccc(c1)C(C)OC(C)C 34a_100000246466_100000210206 [0,2,0,0,0,0|1,0,1]=4 5076 B14R1.74 COc1cccc(c1)C(C)OC(C)C 7a_100000246466_100000210206 [0,2,0,0,0,0|1,0,1]=4 5077 B14R1.74 COc1cccc(n1)[C@@H](C)NC(=O)C 11a_100016223015_100015343762 [0,2,0,0,0,0|2,0,0]=4 5078 B14R1.74 COc1cccc(n1)[C@@H](C)NC(=O)C 1626a_100016223015_100015343762 [0,2,0,0,0,0|2,0,0]=4 5079 B14R1.74 COc1cccc(n1)[C@@H](C)NC(=O)C 240690a_100016223015_100015343762 [0,2,0,0,0,0|2,0,0]=4 5080 B14R1.74 COc1cccc(n1)[C@@H](C)NC(=O)C 527a_100016223015_100103153847 [0,2,0,0,0,0|2,0,0]=4 5081 B14R1.74 COc1ccnc(c1)C(C)NC(=O)C 11a_100009966388_100015343762 [0,2,0,0,0,0|2,0,0]=4 5082 B14R1.74 COc1ccnc(c1)C(C)NC(=O)C 1626a_100009966388_100015343762 [0,2,0,0,0,0|2,0,0]=4 5083 B14R1.74 COc1ccnc(c1)C(C)NC(=O)C 240690a_100009966388_100015343762 [0,2,0,0,0,0|2,0,0]=4 5084 B14R1.74 COc1ccnc(c1)C(C)NC(=O)C 527a_100009966388_100103153847 [0,2,0,0,0,0|2,0,0]=4 5085 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)Br 2230a_100000219648_100009814033 [0,2,0,0,0,0|2,0,0]=4 5086 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)Br 269982a_100000219648_100009814033 [0,2,0,0,0,0|2,0,0]=4 5087 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)C 2230a_100000219674_100009814033 [0,2,0,0,0,0|2,0,0]=4 5088 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)C 269982a_100000219674_100009814033 [0,2,0,0,0,0|2,0,0]=4 5089 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100009814033 [0,2,0,0,0,0|2,0,0]=4 5090 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100009814033 [0,2,0,0,0,0|2,0,0]=4 5091 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)F 2230a_100020633736_100009814033 [0,2,0,0,0,0|2,0,0]=4 5092 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)F 269982a_100020633736_100009814033 [0,2,0,0,0,0|2,0,0]=4 5093 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)I 2230a_100000221217_100009814033 [0,2,0,0,0,0|2,0,0]=4 5094 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)I 269982a_100000221217_100009814033 [0,2,0,0,0,0|2,0,0]=4 5095 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)O 2230a_100000756613_100009814033 [0,2,0,0,0,0|2,0,0]=4 5096 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)O 269982a_100000756613_100009814033 [0,2,0,0,0,0|2,0,0]=4 5097 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)Br 11a_100025717457_100015343762 [0,2,0,0,0,0|1,0,0]=3 5098 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)Br 1626a_100025717457_100015343762 [0,2,0,0,0,0|1,0,0]=3 5099 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)Br 240690a_100025717457_100015343762 [0,2,0,0,0,0|1,0,0]=3 5100 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)Br 527a_100025717457_100103153847 [0,2,0,0,0,0|1,0,0]=3 5101 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)F 11a_100000231114_100015343762 [0,2,0,0,0,0|1,0,0]=3 5102 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)F 1626a_100000231114_100015343762 [0,2,0,0,0,0|1,0,0]=3 5103 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)F 240690a_100000231114_100015343762 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.150 CC(=O)N(C)C(C)c1cccc(c1)F 527a_100000231114_100103153847 [0,2,0,0,0,0|1,0,0]=3 5105 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)Cl 11a_100015335525_100015343762 [0,2,0,0,0,0|1,0,0]=3 5106 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)Cl 1626a_100015335525_100015343762 [0,2,0,0,0,0|1,0,0]=3 5107 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)Cl 240690a_100015335525_100015343762 [0,2,0,0,0,0|1,0,0]=3 5108 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)Cl 527a_100015335525_100103153847 [0,2,0,0,0,0|1,0,0]=3 5109 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)F 11a_100103153465_100015343762 [0,2,0,0,0,0|1,0,0]=3 5110 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)F 1626a_100103153465_100015343762 [0,2,0,0,0,0|1,0,0]=3 5111 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)F 240690a_100103153465_100015343762 [0,2,0,0,0,0|1,0,0]=3 5112 B14R1.152 CC(=O)NC(C)c1cccc(c1Cl)F 527a_100103153465_100103153847 [0,2,0,0,0,0|1,0,0]=3 5113 B14R1.152 CC(=O)N[C@@H](C)c1cccc(c1F)F 11a_100020612118_100015343762 [0,2,0,0,0,0|1,0,0]=3 5114 B14R1.152 CC(=O)N[C@@H](C)c1cccc(c1F)F 1626a_100020612118_100015343762 [0,2,0,0,0,0|1,0,0]=3 5115 B14R1.152 CC(=O)N[C@@H](C)c1cccc(c1F)F 240690a_100020612118_100015343762 [0,2,0,0,0,0|1,0,0]=3 5116 B14R1.152 CC(=O)N[C@@H](C)c1cccc(c1F)F 527a_100020612118_100103153847 [0,2,0,0,0,0|1,0,0]=3 5117 B14R1.152 CC(=O)N[C@H](C)c1cccc(c1F)Cl 11a_100016987989_100015343762 [0,2,0,0,0,0|1,0,0]=3 5118 B14R1.152 CC(=O)N[C@H](C)c1cccc(c1F)Cl 1626a_100016987989_100015343762 [0,2,0,0,0,0|1,0,0]=3 5119 B14R1.152 CC(=O)N[C@H](C)c1cccc(c1F)Cl 240690a_100016987989_100015343762 [0,2,0,0,0,0|1,0,0]=3 5120 B14R1.152 CC(=O)N[C@H](C)c1cccc(c1F)Cl 527a_100016987989_100103153847 [0,2,0,0,0,0|1,0,0]=3 5121 B14R1.152 CC(C)OC(C)c1cccc(c1F)Br 34a_200012356376_100000210206 [0,2,0,0,0,0|1,0,1]=4 5122 B14R1.152 CC(C)OC(C)c1cccc(c1F)Br 7a_200012356376_100000210206 [0,2,0,0,0,0|1,0,1]=4 5123 B14R1.152 CC(C)OC(C)c1cccc(c1F)F 34a_100011944069_100000210206 [0,2,0,0,0,0|1,0,1]=4 5124 B14R1.152 CC(C)OC(C)c1cccc(c1F)F 7a_100011944069_100000210206 [0,2,0,0,0,0|1,0,1]=4 5125 B14R1.152 Cc1cccc(c1C)C(C)OC(C)C 34a_100000212225_100012183177 [0,2,0,0,0,0|1,0,1]=4 5126 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)Br 240690a_100000690078_100015343762 [0,2,0,0,0,0|1,0,0]=3 5127 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)Br 527a_100000690078_100103153847 [0,2,0,0,0,0|1,0,0]=3 5128 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 240690a_100025717460_100015343762 [0,2,0,0,0,0|1,0,0]=3 5129 B14R1.1020 CC(=O)NC(CO)c1cccc(c1)O 527a_100025717460_100103153847 [0,2,0,0,0,0|1,0,0]=3 5130 B14R1.1020 CC(=O)NC(CO)c1cccc(n1)F 240690a_200020642391_100015343762 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.1020 CC(=O)NC(CO)c1cccc(n1)F 527a_200020642391_100103153847 [0,2,0,0,0,0|2,0,0]=4 5132 B14R1.1020 CC(=O)N[C@@H](CO)c1cccc(c1)Cl 240690a_100032004910_100015343762 [0,2,0,0,0,0|1,0,0]=3 5133 B14R1.1020 CC(=O)N[C@@H](CO)c1cccc(c1)Cl 527a_100032004910_100103153847 [0,2,0,0,0,0|1,0,0]=3 5134 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)C 240690a_100009818812_100015343762 [0,2,0,0,0,0|1,0,0]=3 5135 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)C 527a_100009818812_100103153847 [0,2,0,0,0,0|1,0,0]=3 5136 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)F 240690a_100020641251_100015343762 [0,2,0,0,0,0|1,0,0]=3 5137 B14R1.1020 CC(=O)N[C@H](CO)c1cccc(c1)F 527a_100020641251_100103153847 [0,2,0,0,0,0|1,0,0]=3 5138 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 11a_100000737531_100015343762 [0,2,0,0,0,0|1,0,0]=3 5139 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 1626a_100000737531_100015343762 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 240690a_100000737531_100015343762 [0,2,0,0,0,0|1,0,0]=3 5141 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)Cl 527a_100000737531_100103153847 [0,2,0,0,0,0|1,0,0]=3 5142 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 11a_100159265421_100015343762 [0,2,0,0,0,0|1,0,0]=3 5143 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 1626a_100159265421_100015343762 [0,2,0,0,0,0|1,0,0]=3 5144 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 240690a_100159265421_100015343762 [0,2,0,0,0,0|1,0,0]=3 5145 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)F 527a_100159265421_100103153847 [0,2,0,0,0,0|1,0,0]=3 5146 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 1626a_100159312145_100015343762 [0,2,0,0,0,0|1,0,0]=3 5147 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 240690a_100159312145_100015343762 [0,2,0,0,0,0|1,0,0]=3 5148 B14R1.1020 CCC(NC(=O)C)c1cccc(c1)O 527a_100159312145_100103153847 [0,2,0,0,0,0|1,0,0]=3 5149 B14R1.1020 CCC(NC(=O)C)c1cccc(n1)C 11a_100161156280_100015343762 [0,2,0,0,0,0|2,0,0]=4 5150 B14R1.1020 CCC(NC(=O)C)c1cccc(n1)C 1626a_100161156280_100015343762 [0,2,0,0,0,0|2,0,0]=4 5151 B14R1.1020 CCC(NC(=O)C)c1cccc(n1)C 240690a_100161156280_100015343762 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.1020 CCC(NC(=O)C)c1cccc(n1)C 527a_100161156280_100103153847 [0,2,0,0,0,0|2,0,0]=4 5153 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Cl 34a_100000766619_100000210206 [0,2,0,0,0,0|1,0,1]=4 5154 B14R1.1020 CCC(OC(C)C)c1cccc(c1)Cl 7a_100000766619_100000210206 [0,2,0,0,0,0|1,0,1]=4 5155 B14R1.1020 CCC(OC(C)C)c1cccc(c1)F 34a_100011350881_100000210206 [0,2,0,0,0,0|1,0,1]=4 5156 B14R1.1020 CCC(OC(C)C)c1cccc(c1)F 7a_100011350881_100000210206 [0,2,0,0,0,0|1,0,1]=4 5157 B14R1.1020 CCC(OC(C)C)c1cccc(c1)I 34a_200013212081_100000210206 [0,2,0,0,0,0|1,0,1]=4 5158 B14R1.1020 CCC(OC(C)C)c1cccc(c1)I 7a_200013212081_100000210206 [0,2,0,0,0,0|1,0,1]=4 5159 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 11a_200016991486_100015343762 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 1626a_200016991486_100015343762 [0,2,0,0,0,0|1,0,0]=3 5161 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 240690a_200016991486_100015343762 [0,2,0,0,0,0|1,0,0]=3 5162 B14R1.1020 CC[C@@H](NC(=O)C)c1cccc(c1)C 527a_200016991486_100103153847 [0,2,0,0,0,0|1,0,0]=3 5163 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 11a_100102422761_100015343762 [0,2,0,0,0,0|1,0,0]=3 5164 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 1626a_100102422761_100015343762 [0,2,0,0,0,0|1,0,0]=3 5165 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 240690a_100102422761_100015343762 [0,2,0,0,0,0|1,0,0]=3 5166 B14R1.1020 CC[C@H](NC(=O)C)c1cccc(c1)Br 527a_100102422761_100103153847 [0,2,0,0,0,0|1,0,0]=3 5167 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200000210301 [0,2,0,0,0,0|2,0,0]=4 5168 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)C 269956a_100000737193_200000210301 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200000210301 [0,2,0,0,0,0|2,0,0]=4 5170 B14R1.1020 CNC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200000210301 [0,2,0,0,0,0|2,0,0]=4 5171 B14R1.1020 Cc1cccc(c1)C(CC(=O)O)N[13CH3] 269956a_100000737193_200025704644 [0,2,0,0,0,0|2,0,0]=4 5172 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Br 269956a_100000183640_200025704644 [0,2,0,0,0,0|2,0,0]=4 5173 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)Cl 269956a_100000744054_200025704644 [0,2,0,0,0,0|2,0,0]=4 5174 B14R1.1020 [13CH3]NC(CC(=O)O)c1cccc(c1)F 269956a_100102946356_200025704644 [0,2,0,0,0,0|2,0,0]=4 5175 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)C)C 11a_100000753145_100015343762 [0,2,0,0,0,0|1,0,0]=3 5176 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)C)C 1626a_100000753145_100015343762 [0,2,0,0,0,0|1,0,0]=3 5177 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)C)C 240690a_100000753145_100015343762 [0,2,0,0,0,0|1,0,0]=3 5178 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)C)C 527a_100000753145_100103153847 [0,2,0,0,0,0|1,0,0]=3 5179 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)Cl)Cl 11a_100020620772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5180 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)Cl)Cl 1626a_100020620772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5181 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)Cl)Cl 240690a_100020620772_100015343762 [0,2,0,0,0,0|1,0,0]=3 5182 B14R1.4252 CC(=O)NC(C)c1cc(cc(c1)Cl)Cl 527a_100020620772_100103153847 [0,2,0,0,0,0|1,0,0]=3 5183 B14R1.4252 CC(=O)N[C@@H](C)c1cc(cc(c1)Cl)F 11a_100020639286_100015343762 [0,2,0,0,0,0|1,0,0]=3 5184 B14R1.4252 CC(=O)N[C@@H](C)c1cc(cc(c1)Cl)F 1626a_100020639286_100015343762 [0,2,0,0,0,0|1,0,0]=3 5185 B14R1.4252 CC(=O)N[C@@H](C)c1cc(cc(c1)Cl)F 240690a_100020639286_100015343762 [0,2,0,0,0,0|1,0,0]=3 5186 B14R1.4252 CC(=O)N[C@@H](C)c1cc(cc(c1)Cl)F 527a_100020639286_100103153847 [0,2,0,0,0,0|1,0,0]=3 5187 B14R1.4252 CC(=O)N[C@H](C)c1cc(cc(c1)F)F 11a_100016987943_100015343762 [0,2,0,0,0,0|1,0,0]=3 5188 B14R1.4252 CC(=O)N[C@H](C)c1cc(cc(c1)F)F 1626a_100016987943_100015343762 [0,2,0,0,0,0|1,0,0]=3 5189 B14R1.4252 CC(=O)N[C@H](C)c1cc(cc(c1)F)F 240690a_100016987943_100015343762 [0,2,0,0,0,0|1,0,0]=3 5190 B14R1.4252 CC(=O)N[C@H](C)c1cc(cc(c1)F)F 527a_100016987943_100103153847 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.4252 CC(C)O[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210206 [0,2,0,0,0,0|1,0,1]=4 5192 B14R1.4252 CC(C)O[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210206 [0,2,0,0,0,0|1,0,1]=4 5193 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 11a_100016995529_100015343762 [0,2,0,0,0,0|1,0,0]=3 5194 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 1626a_100016995529_100015343762 [0,2,0,0,0,0|1,0,0]=3 5195 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 240690a_100016995529_100015343762 [0,2,0,0,0,0|1,0,0]=3 5196 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Br 527a_100016995529_100103153847 [0,2,0,0,0,0|1,0,0]=3 5197 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 11a_100020605014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5198 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 1626a_100020605014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5199 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 240690a_100020605014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5200 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)Cl 527a_100020605014_100103153847 [0,2,0,0,0,0|1,0,0]=3 5201 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 11a_100016993694_100015343762 [0,2,0,0,0,0|1,0,0]=3 5202 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 1626a_100016993694_100015343762 [0,2,0,0,0,0|1,0,0]=3 5203 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 240690a_100016993694_100015343762 [0,2,0,0,0,0|1,0,0]=3 5204 B14R1.4403 CC(=O)NC(C)(C)c1cccc(c1)F 527a_100016993694_100103153847 [0,2,0,0,0,0|1,0,0]=3 5205 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210206 [0,2,0,0,0,0|1,0,1]=4 5206 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210206 [0,2,0,0,0,0|1,0,1]=4 5207 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210206 [0,2,0,0,0,0|1,0,1]=4 5208 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210206 [0,2,0,0,0,0|1,0,1]=4 5209 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)F 34a_200011345953_100000210206 [0,2,0,0,0,0|1,0,1]=4 5210 B14R1.4403 CC(C)OC(C)(C)c1cccc(c1)F 7a_200011345953_100000210206 [0,2,0,0,0,0|1,0,1]=4 5211 B14R1.5966 CC(NS(=O)(=O)C)c1cccc(c1)Br 40a_100020642005_100000738038 [0,2,0,0,0,0|2,0,0]=4 5212 B14R1.5966 CC(NS(=O)(=O)C)c1cccc(c1)Cl 40a_100102723534_100000738038 [0,2,0,0,0,0|2,0,0]=4 5213 B14R1.5966 CC(NS(=O)(=O)C)c1cccc(c1)O 40a_100000740644_100000738038 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.5966 CC(OC(C)(C)C)c1cccc(c1)Br 34a_100000246457_100000210625 [0,2,0,0,0,0|1,0,1]=4 5215 B14R1.5966 CC(OC(C)(C)C)c1cccc(c1)F 34a_100000744526_100000210625 [0,2,0,0,0,0|1,0,1]=4 5216 B14R1.5966 CC(OC(C)(C)C)c1cccc(c1)I 34a_100013085317_100000210625 [0,2,0,0,0,0|1,0,1]=4 5217 B14R1.5966 CC(OC(C)(C)C)c1cccc(c1)N 34a_100011217120_100000210625 [0,2,0,0,0,0|1,0,1]=4 5218 B14R1.5966 C[C@@H](NS(=O)(=O)C)c1cccc(c1)F 40a_100015193778_100000738038 [0,2,0,0,0,0|2,0,0]=4 5219 B14R1.5966 C[C@@H](OC(C)(C)C)c1cccc(c1)Cl 34a_100000747380_100000210625 [0,2,0,0,0,0|1,0,1]=4 5220 B14R1.5966 Cc1cccc(c1)C(C)OC(C)(C)C 34a_100000757818_100000210625 [0,2,0,0,0,0|1,0,1]=4 5221 B14R1.5966 Cc1cccc(c1)[C@@H](C)NS(=O)(=O)C 40a_100000698126_100000738038 [0,2,0,0,0,0|2,0,0]=4 5222 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Br)F 11a_100012343209_100015343762 [0,2,0,0,0,0|1,0,0]=3 5223 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Br)F 1626a_100012343209_100015343762 [0,2,0,0,0,0|1,0,0]=3 5224 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Br)F 240690a_100012343209_100015343762 [0,2,0,0,0,0|1,0,0]=3 5225 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Br)F 527a_100012343209_100103153847 [0,2,0,0,0,0|1,0,0]=3 5226 B14R1.6052 CC(=O)NC(C)c1cc(ccc1C)F 11a_100011191733_100015343762 [0,2,0,0,0,0|1,0,0]=3 5227 B14R1.6052 CC(=O)NC(C)c1cc(ccc1C)F 1626a_100011191733_100015343762 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.6052 CC(=O)NC(C)c1cc(ccc1C)F 240690a_100011191733_100015343762 [0,2,0,0,0,0|1,0,0]=3 5229 B14R1.6052 CC(=O)NC(C)c1cc(ccc1C)F 527a_100011191733_100103153847 [0,2,0,0,0,0|1,0,0]=3 5230 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Cl)Cl 11a_100000737532_100015343762 [0,2,0,0,0,0|1,0,0]=3 5231 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Cl)Cl 1626a_100000737532_100015343762 [0,2,0,0,0,0|1,0,0]=3 5232 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Cl)Cl 240690a_100000737532_100015343762 [0,2,0,0,0,0|1,0,0]=3 5233 B14R1.6052 CC(=O)NC(C)c1cc(ccc1Cl)Cl 527a_100000737532_100103153847 [0,2,0,0,0,0|1,0,0]=3 5234 B14R1.6052 CC(=O)NC(C)c1cc(ccc1F)F 11a_100000737541_100015343762 [0,2,0,0,0,0|1,0,0]=3 5235 B14R1.6052 CC(=O)NC(C)c1cc(ccc1F)F 1626a_100000737541_100015343762 [0,2,0,0,0,0|1,0,0]=3 5236 B14R1.6052 CC(=O)NC(C)c1cc(ccc1F)F 240690a_100000737541_100015343762 [0,2,0,0,0,0|1,0,0]=3 5237 B14R1.6052 CC(=O)NC(C)c1cc(ccc1F)F 527a_100000737541_100103153847 [0,2,0,0,0,0|1,0,0]=3 5238 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1C)C 11a_100000695983_100015343762 [0,2,0,0,0,0|1,0,0]=3 5239 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1C)C 1626a_100000695983_100015343762 [0,2,0,0,0,0|1,0,0]=3 5240 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1C)C 240690a_100000695983_100015343762 [0,2,0,0,0,0|1,0,0]=3 5241 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1C)C 527a_100000695983_100103153847 [0,2,0,0,0,0|1,0,0]=3 5242 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1F)Cl 11a_100000695052_100015343762 [0,2,0,0,0,0|1,0,0]=3 5243 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1F)Cl 1626a_100000695052_100015343762 [0,2,0,0,0,0|1,0,0]=3 5244 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1F)Cl 240690a_100000695052_100015343762 [0,2,0,0,0,0|1,0,0]=3 5245 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1F)Cl 527a_100000695052_100103153847 [0,2,0,0,0,0|1,0,0]=3 5246 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1O)F 240690a_100160469477_100015343762 [0,2,0,0,0,0|1,0,0]=3 5247 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1O)F 527a_100160469477_100103153847 [0,2,0,0,0,0|1,0,0]=3 5248 B14R1.6052 CC(=O)N[C@H](C)c1cc(ccc1O)Cl 240690a_100011853016_100015343762 [0,2,0,0,0,0|1,0,0]=3 5249 B14R1.6052 CC(=O)N[C@H](C)c1cc(ccc1O)Cl 527a_100011853016_100103153847 [0,2,0,0,0,0|1,0,0]=3 5250 B14R1.6052 CC(C)OC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210206 [0,2,0,0,0,0|1,0,1]=4 5251 B14R1.6052 CC(C)OC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210206 [0,2,0,0,0,0|1,0,1]=4 5252 B14R1.6052 CC(C)OC(C)c1cc(ccc1F)Br 34a_100011943926_100000210206 [0,2,0,0,0,0|1,0,1]=4 5253 B14R1.6052 CC(C)OC(C)c1cc(ccc1F)Br 7a_100011943926_100000210206 [0,2,0,0,0,0|1,0,1]=4 5254 B14R1.6052 CC(C)OC(C)c1cc(ccc1F)F 34a_100000246540_100000210206 [0,2,0,0,0,0|1,0,1]=4 5255 B14R1.6052 CC(C)OC(C)c1cc(ccc1F)F 7a_100000246540_100000210206 [0,2,0,0,0,0|1,0,1]=4 5256 B14R1.6052 CC(C)O[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5257 B14R1.6052 CC(C)O[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5258 B14R1.6052 Cc1ccc(c(c1)C(C)OC(C)C)C 34a_200000246511_100000210206 [0,2,0,0,0,0|1,0,1]=4 5259 B14R1.6052 Cc1ccc(c(c1)C(C)OC(C)C)C 7a_200000246511_100000210206 [0,2,0,0,0,0|1,0,1]=4 5260 B14R1.6052 Cc1ccc(cc1C(C)OC(C)C)Cl 34a_100012002745_100000210206 [0,2,0,0,0,0|1,0,1]=4 5261 B14R1.6052 Cc1ccc(cc1C(C)OC(C)C)Cl 7a_100012002745_100000210206 [0,2,0,0,0,0|1,0,1]=4 5262 B14R1.243 C=C(C)C(=O)C(C)c1ccccc1Cl 1458a_100000185857_100000181259 [0,2,0,0,0,0|2,0,0]=4 5263 B14R1.243 C=C(C)C(=O)C(C)c1ccccc1F 1458a_100000185857_200000741388 [0,2,0,0,0,0|2,0,0]=4 5264 B14R1.243 CC(=O)C(C)N(C)c1ccccc1Br 2230a_100020606079_100009814033 [0,2,0,0,0,0|2,0,0]=4 5265 B14R1.243 CC(=O)C(C)N(C)c1ccccc1Br 269982a_100020606079_100009814033 [0,2,0,0,0,0|2,0,0]=4 5266 B14R1.243 CC(=O)C(C)N(C)c1ccccc1C 2230a_100000219699_100009814033 [0,2,0,0,0,0|2,0,0]=4 5267 B14R1.243 CC(=O)C(C)N(C)c1ccccc1C 269982a_100000219699_100009814033 [0,2,0,0,0,0|2,0,0]=4 5268 B14R1.243 CC(=O)C(C)N(C)c1ccccc1Cl 2230a_100000219374_100009814033 [0,2,0,0,0,0|2,0,0]=4 5269 B14R1.243 CC(=O)C(C)N(C)c1ccccc1Cl 269982a_100000219374_100009814033 [0,2,0,0,0,0|2,0,0]=4 5270 B14R1.243 CC(=O)C(C)N(C)c1ccccc1F 2230a_100000220357_100009814033 [0,2,0,0,0,0|2,0,0]=4 5271 B14R1.243 CC(=O)C(C)N(C)c1ccccc1F 269982a_100000220357_100009814033 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.243 CC(=O)C(C)N(C)c1ccccc1O 269982a_100000033821_100009814033 [0,2,0,0,0,0|2,0,0]=4 5273 B14R1.243 CC(=O)N(C)C(C)c1ccccc1Br 11a_100000692418_100015343762 [0,2,0,0,0,0|1,0,0]=3 5274 B14R1.243 CC(=O)N(C)C(C)c1ccccc1Br 1626a_100000692418_100015343762 [0,2,0,0,0,0|1,0,0]=3 5275 B14R1.243 CC(=O)N(C)C(C)c1ccccc1Br 240690a_100000692418_100015343762 [0,2,0,0,0,0|1,0,0]=3 5276 B14R1.243 CC(=O)N(C)C(C)c1ccccc1Br 527a_100000692418_100103153847 [0,2,0,0,0,0|1,0,0]=3 5277 B14R1.243 CC(=O)N(C)C(C)c1ccccc1F 11a_100000231110_100015343762 [0,2,0,0,0,0|1,0,0]=3 5278 B14R1.243 CC(=O)N(C)C(C)c1ccccc1F 1626a_100000231110_100015343762 [0,2,0,0,0,0|1,0,0]=3 5279 B14R1.243 CC(=O)N(C)C(C)c1ccccc1F 240690a_100000231110_100015343762 [0,2,0,0,0,0|1,0,0]=3 5280 B14R1.243 CC(=O)N(C)C(C)c1ccccc1F 527a_100000231110_100103153847 [0,2,0,0,0,0|1,0,0]=3 5281 B14R1.1017 CC(c1ccccc1)C(N[13CH3])C(=O)O 269956a_100011215410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5282 B14R1.1017 CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5283 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 11a_100000737544_100015343762 [0,2,0,0,0,0|1,0,0]=3 5284 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 1626a_100000737544_100015343762 [0,2,0,0,0,0|1,0,0]=3 5285 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 240690a_100000737544_100015343762 [0,2,0,0,0,0|1,0,0]=3 5286 B14R1.1027 CCC(c1ccccc1)N(C)C(=O)C 527a_100000737544_100103153847 [0,2,0,0,0,0|1,0,0]=3 5287 B14R1.1027 CCC(c1ccccn1)N(C)C(=O)C 11a_100011351527_100015343762 [0,2,0,0,0,0|2,0,0]=4 5288 B14R1.1027 CCC(c1ccccn1)N(C)C(=O)C 1626a_100011351527_100015343762 [0,2,0,0,0,0|2,0,0]=4 5289 B14R1.1027 CCC(c1ccccn1)N(C)C(=O)C 240690a_100011351527_100015343762 [0,2,0,0,0,0|2,0,0]=4 5290 B14R1.1027 CCC(c1ccccn1)N(C)C(=O)C 527a_100011351527_100103153847 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.1027 CCC(c1cccnc1)N(C)C(=O)C 11a_200011351541_100015343762 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.1027 CCC(c1cccnc1)N(C)C(=O)C 1626a_200011351541_100015343762 [0,2,0,0,0,0|2,0,0]=4 5293 B14R1.1027 CCC(c1cccnc1)N(C)C(=O)C 240690a_200011351541_100015343762 [0,2,0,0,0,0|2,0,0]=4 5294 B14R1.1027 CCC(c1cccnc1)N(C)C(=O)C 527a_200011351541_100103153847 [0,2,0,0,0,0|2,0,0]=4 5295 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)C 2230a_100000210013_100009814033 [0,2,0,0,0,0|2,0,0]=4 5296 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)C 269982a_100000210013_100009814033 [0,2,0,0,0,0|2,0,0]=4 5297 B14R1.6306 C=C(C)C(=O)C(C)(C)c1ccccc1 1458a_100000185857_100000034625 [0,2,0,0,0,0|2,0,0]=4 5298 B14R1.6391 CC(=O)C(C)(C)N(C)c1ccccc1 269982a_100000210012_100000075568 [0,2,0,0,0,0|2,0,0]=4 5299 B14R1.10526 CC(c1ccccc1)N(C)S(=O)(=O)C 40a_100000195388_100000738038 [0,2,0,0,0,0|2,0,0]=4 5300 B14R1.840 CC(=O)NC(C)c1ccccc1C#N 11a_100160469468_100015343762 [0,2,0,0,0,0|1,0,0]=3 5301 B14R1.840 CC(=O)NC(C)c1ccccc1C#N 1626a_100160469468_100015343762 [0,2,0,0,0,0|1,0,0]=3 5302 B14R1.840 CC(=O)NC(C)c1ccccc1C#N 240690a_100160469468_100015343762 [0,2,0,0,0,0|1,0,0]=3 5303 B14R1.840 CC(=O)NC(C)c1ccccc1C#N 527a_100160469468_100103153847 [0,2,0,0,0,0|1,0,0]=3 5304 B14R1.840 COc1ccccc1C(C)NC(=O)C 11a_100000185323_100015343762 [0,2,0,0,0,0|1,0,0]=3 5305 B14R1.840 COc1ccccc1C(C)NC(=O)C 1626a_100000185323_100015343762 [0,2,0,0,0,0|1,0,0]=3 5306 B14R1.840 COc1ccccc1C(C)NC(=O)C 240690a_100000185323_100015343762 [0,2,0,0,0,0|1,0,0]=3 5307 B14R1.840 COc1ccccc1C(C)NC(=O)C 527a_100000185323_100103153847 [0,2,0,0,0,0|1,0,0]=3 5308 B14R1.840 COc1ccccc1C(C)OC(C)C 7a_100000742714_100000210206 [0,2,0,0,0,0|1,0,1]=4 5309 B14R1.4451 CC(NS(=O)(=O)C)c1ccccc1Br 40a_100000181357_100000738038 [0,2,0,0,0,0|2,0,0]=4 5310 B14R1.4451 CC(NS(=O)(=O)C)c1ccccc1Cl 40a_100000174978_100000738038 [0,2,0,0,0,0|2,0,0]=4 5311 B14R1.4451 CC(NS(=O)(=O)C)c1ccccc1F 40a_100000181408_100000738038 [0,2,0,0,0,0|2,0,0]=4 5312 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Br 34a_100000702211_100000210625 [0,2,0,0,0,0|1,0,1]=4 5313 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Cl 34a_100000740796_100000210625 [0,2,0,0,0,0|1,0,1]=4 5314 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Cl 7a_100015890283_100000181259 [0,2,0,0,0,0|1,0,1]=4 5315 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 34a_100000697922_100000210625 [0,2,0,0,0,0|1,0,1]=4 5316 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 34a_100015890283_200000741388 [0,2,0,0,0,0|1,0,1]=4 5317 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 7a_100015890283_200000741388 [0,2,0,0,0,0|1,0,1]=4 5318 B14R1.4451 C[C@@H](NS(=O)(=O)C)c1ccccc1O 40a_100025703389_100000738038 [0,2,0,0,0,0|2,0,0]=4 5319 B14R1.4451 Cc1ccccc1C(C)NS(=O)(=O)C 40a_100000181355_100000738038 [0,2,0,0,0,0|2,0,0]=4 5320 B14R1.4451 Cc1ccccc1C(C)OC(C)(C)C 34a_100000742021_100000210625 [0,2,0,0,0,0|1,0,1]=4 5321 B14R1.5805 CC(=O)CC(C)(C)c1ccccc1F 1458a_200012180094_200000210301 [0,2,0,0,0,0|1,0,0]=3 5322 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 11a_100020606264_100015343762 [0,2,0,0,0,0|1,0,0]=3 5323 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 1626a_100020606264_100015343762 [0,2,0,0,0,0|1,0,0]=3 5324 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 240690a_100020606264_100015343762 [0,2,0,0,0,0|1,0,0]=3 5325 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Br 527a_100020606264_100103153847 [0,2,0,0,0,0|1,0,0]=3 5326 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 11a_100020606166_100015343762 [0,2,0,0,0,0|1,0,0]=3 5327 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 1626a_100020606166_100015343762 [0,2,0,0,0,0|1,0,0]=3 5328 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 240690a_100020606166_100015343762 [0,2,0,0,0,0|1,0,0]=3 5329 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1Cl 527a_100020606166_100103153847 [0,2,0,0,0,0|1,0,0]=3 5330 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 11a_100000734538_100015343762 [0,2,0,0,0,0|1,0,0]=3 5331 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 1626a_100000734538_100015343762 [0,2,0,0,0,0|1,0,0]=3 5332 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 240690a_100000734538_100015343762 [0,2,0,0,0,0|1,0,0]=3 5333 B14R1.5805 CC(=O)NC(C)(C)c1ccccc1F 527a_100000734538_100103153847 [0,2,0,0,0,0|1,0,0]=3 5334 B14R1.5805 CC(C)(CC(=O)[13CH3])c1ccccc1F 1458a_200012180094_200025704644 [0,2,0,0,0,0|1,0,0]=3 5335 B14R1.5805 CC(C)OC(C)(C)c1ccccc1Br 34a_100011346021_100000210206 [0,2,0,0,0,0|1,0,1]=4 5336 B14R1.5805 CC(C)OC(C)(C)c1ccccc1Br 7a_100011346021_100000210206 [0,2,0,0,0,0|1,0,1]=4 5337 B14R1.5805 CC(C)OC(C)(C)c1ccccc1Cl 34a_100000690508_100000210206 [0,2,0,0,0,0|1,0,1]=4 5338 B14R1.5805 CC(C)OC(C)(C)c1ccccc1Cl 7a_100000690508_100000210206 [0,2,0,0,0,0|1,0,1]=4 5339 B14R1.5805 CC(C)OC(C)(C)c1ccccc1F 34a_100011345963_100000210206 [0,2,0,0,0,0|1,0,1]=4 5340 B14R1.5805 CC(C)OC(C)(C)c1ccccc1F 7a_100011345963_100000210206 [0,2,0,0,0,0|1,0,1]=4 5341 B14R1.5805 CC(C)OC(C)(C)c1ccccc1I 34a_100010296449_100000210206 [0,2,0,0,0,0|1,0,1]=4 5342 B14R1.5805 CC(C)OC(C)(C)c1ccccc1I 7a_100010296449_100000210206 [0,2,0,0,0,0|1,0,1]=4 5343 B14R1.5805 CC(C)OC(C)(C)c1ccccc1N 7a_100000081495_100000210206 [0,2,0,0,0,0|1,0,1]=4 5344 B14R1.5958 CC(=O)NC(C)c1c(cccc1F)F 11a_100025772709_100015343762 [0,2,0,0,0,0|1,0,0]=3 5345 B14R1.5958 CC(=O)NC(C)c1c(cccc1F)F 1626a_100025772709_100015343762 [0,2,0,0,0,0|1,0,0]=3 5346 B14R1.5958 CC(=O)NC(C)c1c(cccc1F)F 240690a_100025772709_100015343762 [0,2,0,0,0,0|1,0,0]=3 5347 B14R1.5958 CC(=O)NC(C)c1c(cccc1F)F 527a_100025772709_100103153847 [0,2,0,0,0,0|1,0,0]=3 5348 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 11a_100016987977_100015343762 [0,2,0,0,0,0|1,0,0]=3 5349 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 1626a_100016987977_100015343762 [0,2,0,0,0,0|1,0,0]=3 5350 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 240690a_100016987977_100015343762 [0,2,0,0,0,0|1,0,0]=3 5351 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 527a_100016987977_100103153847 [0,2,0,0,0,0|1,0,0]=3 5352 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)Cl 11a_100016989663_100015343762 [0,2,0,0,0,0|1,0,0]=3 5353 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)Cl 1626a_100016989663_100015343762 [0,2,0,0,0,0|1,0,0]=3 5354 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)Cl 240690a_100016989663_100015343762 [0,2,0,0,0,0|1,0,0]=3 5355 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)Cl 527a_100016989663_100103153847 [0,2,0,0,0,0|1,0,0]=3 5356 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)F 11a_100011997870_100015343762 [0,2,0,0,0,0|1,0,0]=3 5357 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)F 1626a_100011997870_100015343762 [0,2,0,0,0,0|1,0,0]=3 5358 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)F 240690a_100011997870_100015343762 [0,2,0,0,0,0|1,0,0]=3 5359 B14R1.5958 CC(=O)N[C@H](C)c1c(cccc1Cl)F 527a_100011997870_100103153847 [0,2,0,0,0,0|1,0,0]=3 5360 B14R1.5958 CC(C)OC(C)c1c(cccc1Br)F 34a_100013085324_100000210206 [0,2,0,0,0,0|1,0,1]=4 5361 B14R1.5958 CC(C)OC(C)c1c(cccc1Br)F 7a_100013085324_100000210206 [0,2,0,0,0,0|1,0,1]=4 5362 B14R1.5958 CC(C)OC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210206 [0,2,0,0,0,0|1,0,1]=4 5363 B14R1.5958 CC(C)OC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210206 [0,2,0,0,0,0|1,0,1]=4 5364 B14R1.5958 CC(C)OC(C)c1c(cccc1F)F 34a_100000742607_100000210206 [0,2,0,0,0,0|1,0,1]=4 5365 B14R1.5958 CC(C)OC(C)c1c(cccc1F)F 7a_100000742607_100000210206 [0,2,0,0,0,0|1,0,1]=4 5366 B14R1.5958 CC(C)O[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210206 [0,2,0,0,0,0|1,0,1]=4 5367 B14R1.5958 CC(C)O[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210206 [0,2,0,0,0,0|1,0,1]=4 5368 B14R1.5958 Cc1cccc(c1C(C)OC(C)C)C 34a_200000695261_100000210206 [0,2,0,0,0,0|1,0,1]=4 5369 B14R1.5958 Cc1cccc(c1C(C)OC(C)C)C 7a_200000695261_100000210206 [0,2,0,0,0,0|1,0,1]=4 5370 B14R1.6474 CC(=O)NC(C#N)c1ccccc1C 1626a_102495364774_100015343762 [0,2,0,0,0,0|1,0,1]=4 5371 B14R1.6474 CC(=O)NC(C#N)c1ccccc1C 240690a_102495364774_100015343762 [0,2,0,0,0,0|1,0,1]=4 5372 B14R1.6474 CC(=O)NC(CO)c1ccccc1Cl 240690a_100138412506_100015343762 [0,2,0,0,0,0|1,0,0]=3 5373 B14R1.6474 CC(=O)NC(CO)c1ccccc1Cl 527a_100138412506_100103153847 [0,2,0,0,0,0|1,0,0]=3 5374 B14R1.6474 CC(=O)NC(CO)c1ccncc1Cl 240690a_200020642286_100015343762 [0,2,0,0,0,0|2,0,0]=4 5375 B14R1.6474 CC(=O)NC(CO)c1ccncc1Cl 527a_200020642286_100103153847 [0,2,0,0,0,0|2,0,0]=4 5376 B14R1.6474 CC(=O)N[C@@H](CO)c1ccccc1F 240690a_100009818778_100015343762 [0,2,0,0,0,0|1,0,0]=3 5377 B14R1.6474 CC(=O)N[C@@H](CO)c1ccccc1F 527a_100009818778_100103153847 [0,2,0,0,0,0|1,0,0]=3 5378 B14R1.6474 CC(=O)N[C@H](CO)c1ccccc1Br 240690a_100161155918_100015343762 [0,2,0,0,0,0|1,0,0]=3 5379 B14R1.6474 CC(=O)N[C@H](CO)c1ccccc1Br 527a_100161155918_100103153847 [0,2,0,0,0,0|1,0,0]=3 5380 B14R1.6474 CC(C)OC(CN)c1ccccc1Br 34a_100011236429_100000210206 [0,2,0,0,0,0|1,0,1]=4 5381 B14R1.6474 CC(C)OC(CN)c1ccccc1Cl 34a_200000759403_100000210206 [0,2,0,0,0,0|1,0,1]=4 5382 B14R1.6474 CCC(NC(=O)C)c1ncccc1C 11a_200011536107_100015343762 [0,2,0,0,0,0|2,0,0]=4 5383 B14R1.6474 CCC(NC(=O)C)c1ncccc1C 1626a_200011536107_100015343762 [0,2,0,0,0,0|2,0,0]=4 5384 B14R1.6474 CCC(NC(=O)C)c1ncccc1C 240690a_200011536107_100015343762 [0,2,0,0,0,0|2,0,0]=4 5385 B14R1.6474 CCC(NC(=O)C)c1ncccc1C 527a_200011536107_100103153847 [0,2,0,0,0,0|2,0,0]=4 5386 B14R1.6474 CCC(OC(C)C)c1ccccc1F 34a_200011689290_100000210206 [0,2,0,0,0,0|1,0,1]=4 5387 B14R1.6474 CCC(OC(C)C)c1ccccc1F 7a_200011689290_100000210206 [0,2,0,0,0,0|1,0,1]=4 5388 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 11a_200016987949_100015343762 [0,2,0,0,0,0|1,0,0]=3 5389 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 1626a_200016987949_100015343762 [0,2,0,0,0,0|1,0,0]=3 5390 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 240690a_200016987949_100015343762 [0,2,0,0,0,0|1,0,0]=3 5391 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1Cl 527a_200016987949_100103153847 [0,2,0,0,0,0|1,0,0]=3 5392 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 11a_100015190424_100015343762 [0,2,0,0,0,0|1,0,0]=3 5393 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 1626a_100015190424_100015343762 [0,2,0,0,0,0|1,0,0]=3 5394 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 240690a_100015190424_100015343762 [0,2,0,0,0,0|1,0,0]=3 5395 B14R1.6474 CC[C@H](NC(=O)C)c1ccccc1F 527a_100015190424_100103153847 [0,2,0,0,0,0|1,0,0]=3 5396 B14R1.6474 CNC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200000210301 [0,2,0,0,0,0|2,0,0]=4 5397 B14R1.6474 CNC(CC(=O)O)c1ccccc1C 269956a_100000751382_200000210301 [0,2,0,0,0,0|2,0,0]=4 5398 B14R1.6474 CNC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200000210301 [0,2,0,0,0,0|2,0,0]=4 5399 B14R1.6474 CNC(CC(=O)O)c1ccccc1F 269956a_100000182082_200000210301 [0,2,0,0,0,0|2,0,0]=4 5400 B14R1.6474 Cc1ccccc1C(CC(=O)O)N[13CH3] 269956a_100000751382_200025704644 [0,2,0,0,0,0|2,0,0]=4 5401 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Br 269956a_100011224113_200025704644 [0,2,0,0,0,0|2,0,0]=4 5402 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1Cl 269956a_100000182758_200025704644 [0,2,0,0,0,0|2,0,0]=4 5403 B14R1.6474 [13CH3]NC(CC(=O)O)c1ccccc1F 269956a_100000182082_200025704644 [0,2,0,0,0,0|2,0,0]=4 5404 B14R1.3335 CC(C)(NS(=O)(=O)C)c1ccccc1 40a_100011218174_100000738038 [0,2,0,0,0,0|2,0,0]=4 5405 B14R1.3642 C#CC(C)(OC(C)C)c1ccccc1 34a_100000198054_100000210206 [0,2,0,0,0,0|1,0,1]=4 5406 B14R1.3642 C#CC(C)(OC(C)C)c1ccccc1 7a_100000198054_100000210206 [0,2,0,0,0,0|1,0,1]=4 5407 B14R1.3642 CCC(C)(OC(C)C)c1ccccc1 7a_100000748282_100000210206 [0,2,0,0,0,0|1,0,1]=4 5408 B14R1.544 CC(C)(C)OC(CN)c1ccccc1 34a_100000210709_100000210625 [0,2,0,0,0,0|1,0,1]=4 5409 B14R1.544 CC(C)(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210625 [0,2,0,0,0,0|1,0,1]=4 5410 B14R1.544 CCC(NS(=O)(=O)C)c1ccccc1 40a_100000737752_100000738038 [0,2,0,0,0,0|2,0,0]=4 5411 B14R1.544 CCC(OC(C)(C)C)c1ccccc1 34a_100000698172_100000210625 [0,2,0,0,0,0|1,0,1]=4 5412 B14R1.544 CS(=O)(=O)N[C@H](CO)c1ccccc1 40a_100000751927_100000738038 [0,2,0,0,0,0|2,0,0]=4 5413 B14R1.515 C=CCC(OC(C)C)c1ccccc1 34a_100000687291_100000210206 [0,2,0,0,0,0|1,0,1]=4 5414 B14R1.515 C=CCC(OC(C)C)c1ccccc1 7a_100000687291_100000210206 [0,2,0,0,0,0|1,0,1]=4 5415 B14R1.515 CC(=O)NC(CO[13CH3])c1ccccc1 34a_100011822529_200025704644 [0,2,0,0,0,0|1,0,0]=3 5416 B14R1.515 CC(=O)NC(CO[13CH3])c1ccccc1 7a_100011822529_200025704644 [0,2,0,0,0,0|1,0,0]=3 5417 B14R1.515 CC(=O)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100015343762 [0,2,0,0,0,0|1,0,0]=3 5418 B14R1.515 CC(=O)N[C@@H](CCO)c1ccccc1 527a_100025705951_100103153847 [0,2,0,0,0,0|1,0,0]=3 5419 B14R1.515 CC(C)OC(CCN)c1ccccc1 34a_100000763605_100000210206 [0,2,0,0,0,0|1,0,1]=4 5420 B14R1.515 CC(C)O[C@H](CC#N)c1ccccc1 7a_100009817555_100000210206 [0,2,0,0,0,0|1,0,1]=4 5421 B14R1.515 CC(C)O[C@H](CCCl)c1ccccc1 34a_100000729684_100000210206 [0,2,0,0,0,0|1,0,1]=4 5422 B14R1.515 CC(C)O[C@H](CCCl)c1ccccc1 7a_100000729684_100000210206 [0,2,0,0,0,0|1,0,1]=4 5423 B14R1.515 CCCC(NC(=O)C)c1ccccc1 11a_100000189686_100015343762 [0,2,0,0,0,0|1,0,0]=3 5424 B14R1.515 CCCC(NC(=O)C)c1ccccc1 1626a_100000189686_100015343762 [0,2,0,0,0,0|1,0,0]=3 5425 B14R1.515 CCCC(NC(=O)C)c1ccccc1 240690a_100000189686_100015343762 [0,2,0,0,0,0|1,0,0]=3 5426 B14R1.515 CCCC(NC(=O)C)c1ccccc1 527a_100000189686_100103153847 [0,2,0,0,0,0|1,0,0]=3 5427 B14R1.515 CCCC(NC(=O)C)c1cccnc1 11a_100011351308_100015343762 [0,2,0,0,0,0|2,0,0]=4 5428 B14R1.515 CCCC(NC(=O)C)c1cccnc1 1626a_100011351308_100015343762 [0,2,0,0,0,0|2,0,0]=4 5429 B14R1.515 CCCC(NC(=O)C)c1cccnc1 240690a_100011351308_100015343762 [0,2,0,0,0,0|2,0,0]=4 5430 B14R1.515 CCCC(NC(=O)C)c1cccnc1 527a_100011351308_100103153847 [0,2,0,0,0,0|2,0,0]=4 5431 B14R1.515 CCCC(NC(=O)C)c1ccncc1 11a_100011351316_100015343762 [0,2,0,0,0,0|2,0,0]=4 5432 B14R1.515 CCCC(NC(=O)C)c1ccncc1 1626a_100011351316_100015343762 [0,2,0,0,0,0|2,0,0]=4 5433 B14R1.515 CCCC(NC(=O)C)c1ccncc1 240690a_100011351316_100015343762 [0,2,0,0,0,0|2,0,0]=4 5434 B14R1.515 CCCC(NC(=O)C)c1ccncc1 527a_100011351316_100103153847 [0,2,0,0,0,0|2,0,0]=4 5435 B14R1.515 CCCC(OC(C)C)c1ccccc1 34a_100000747916_100000210206 [0,2,0,0,0,0|1,0,1]=4 5436 B14R1.515 CCCC(OC(C)C)c1ccccc1 7a_100000747916_100000210206 [0,2,0,0,0,0|1,0,1]=4 5437 B14R1.515 CCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210202 [0,2,0,0,0,0|2,0,0]=4 5438 B14R1.515 CNCC(CC(=O)O)c1ccccc1 269956a_100016987574_200000210301 [0,2,0,0,0,0|2,0,0]=4 5439 B14R1.515 COCC(NC(=O)C)c1ccccc1 34a_100011822529_200000210301 [0,2,0,0,0,0|1,0,0]=3 5440 B14R1.515 COCC(NC(=O)C)c1ccccc1 7a_100011822529_200000210301 [0,2,0,0,0,0|1,0,0]=3 5441 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 11a_103619048568_100015343762 [0,2,0,0,0,0|1,0,0]=3 5442 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 1626a_103619048568_100015343762 [0,2,0,0,0,0|1,0,0]=3 5443 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 240690a_103619048568_100015343762 [0,2,0,0,0,0|1,0,0]=3 5444 B14R1.515 COC[C@@H](NC(=O)C)c1ccccc1 527a_103619048568_100103153847 [0,2,0,0,0,0|1,0,0]=3 5445 B14R1.515 O=C(O)C[C@H](NCF)c1ccccc1 269956a_100000751379_100015361967 [0,2,0,0,0,0|2,0,0]=4 5446 B14R1.515 [13CH3]NCC(CC(=O)O)c1ccccc1 269956a_100016987574_200025704644 [0,2,0,0,0,0|2,0,0]=4 5447 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 34a_200011216824_100000210206 [0,2,0,0,0,0|1,0,1]=4 5448 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 7a_200011216824_100000210206 [0,2,0,0,0,0|1,0,1]=4 5449 B14R1.6455 CC(=O)CN(C(=O)C)c1ccccc1 1458a_100000188139_200000210301 [0,2,0,0,0,0|2,0,0]=4 5450 B14R1.6455 CC(=O)N(CC(=O)[13CH3])c1ccccc1 1458a_100000188139_200025704644 [0,2,0,0,0,0|2,0,0]=4 5451 B14R1.6455 CC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195599_200000210301 [0,2,0,0,0,0|1,0,0]=3 5452 B14R1.6455 CC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195599_200025704644 [0,2,0,0,0,0|1,0,0]=3 5453 B14R1.6455 CC(=O)NC(c1ccccn1)C(C)C 11a_100015183375_100015343762 [0,2,0,0,0,0|2,0,0]=4 5454 B14R1.6455 CC(=O)NC(c1ccccn1)C(C)C 1626a_100015183375_100015343762 [0,2,0,0,0,0|2,0,0]=4 5455 B14R1.6455 CC(=O)NC(c1ccccn1)C(C)C 240690a_100015183375_100015343762 [0,2,0,0,0,0|2,0,0]=4 5456 B14R1.6455 CC(=O)NC(c1ccccn1)C(C)C 527a_100015183375_100103153847 [0,2,0,0,0,0|2,0,0]=4 5457 B14R1.6455 CC(=O)NC(c1cccnc1)C(C)C 11a_100015185317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5458 B14R1.6455 CC(=O)NC(c1cccnc1)C(C)C 1626a_100015185317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5459 B14R1.6455 CC(=O)NC(c1cccnc1)C(C)C 240690a_100015185317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5460 B14R1.6455 CC(=O)NC(c1cccnc1)C(C)C 527a_100015185317_100103153847 [0,2,0,0,0,0|2,0,0]=4 5461 B14R1.6455 CC(=O)NC(c1ccncc1)C(C)C 11a_100000755331_100015343762 [0,2,0,0,0,0|2,0,0]=4 5462 B14R1.6455 CC(=O)NC(c1ccncc1)C(C)C 1626a_100000755331_100015343762 [0,2,0,0,0,0|2,0,0]=4 5463 B14R1.6455 CC(=O)NC(c1ccncc1)C(C)C 240690a_100000755331_100015343762 [0,2,0,0,0,0|2,0,0]=4 5464 B14R1.6455 CC(=O)NC(c1ccncc1)C(C)C 527a_100000755331_100103153847 [0,2,0,0,0,0|2,0,0]=4 5465 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,2,0,0,0,0|1,0,1]=4 5466 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,2,0,0,0,0|1,0,1]=4 5467 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,2,0,0,0,0|1,0,1]=4 5468 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,2,0,0,0,0|1,0,1]=4 5469 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100015343762 [0,2,0,0,0,0|1,0,0]=3 5470 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100015343762 [0,2,0,0,0,0|1,0,0]=3 5471 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 527a_100134616770_100103153847 [0,2,0,0,0,0|1,0,0]=3 5472 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 11a_100015186014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5473 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 1626a_100015186014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5474 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 240690a_100015186014_100015343762 [0,2,0,0,0,0|1,0,0]=3 5475 B14R1.6455 CC(=O)N[C@H](c1ccccc1)C(C)C 527a_100015186014_100103153847 [0,2,0,0,0,0|1,0,0]=3 5476 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,2,0,0,0,0|0,0,0]=2 5477 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,2,0,0,0,0|0,0,0]=2 5478 B14R1.6455 CC(C)OC(c1ccccc1)C(C)C 34a_200011217822_100000210206 [0,2,0,0,0,0|1,0,1]=4 5479 B14R1.6455 CC(C)OC(c1ccccc1)C(C)C 7a_200011217822_100000210206 [0,2,0,0,0,0|1,0,1]=4 5480 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,0,1,1,0,0|2,0,0]=4 5481 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,0,1,1,0,0|2,0,0]=4 5482 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [0,0,1,1,0,0|2,0,0]=4 5483 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [0,0,1,1,0,0|2,0,0]=4 5484 B12R1.260 CC(=O)OC(C)Sc1ccoc1 62a_100009818208_100011215275 [0,0,1,1,0,0|2,0,0]=4 5485 B12R1.260 CC(=O)OC(C)Sc1ccoc1 62a_100011215275_100009818208 [0,0,1,1,0,0|2,0,0]=4 5486 B12R1.260 CC(=O)OC(C)Sc1ccsc1 62a_100000738268_100009818208 [0,0,1,1,0,0|2,0,0]=4 5487 B12R1.260 CC(=O)OC(C)Sc1ccsc1 62a_100009818208_100000738268 [0,0,1,1,0,0|2,0,0]=4 5488 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,0,1,1,0,0|0,0,2]=4 5489 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,0,1,1,0,0|0,0,2]=4 5490 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,0,1,1,0,0|1,0,1]=4 5491 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 5492 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 5493 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 5494 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 5495 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [1,0,0,1,0,0|0,1,1]=4 5496 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [1,0,0,1,0,0|0,1,1]=4 5497 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 5498 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 5499 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 5500 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 5501 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [1,0,0,1,0,0|1,0,1]=4 5502 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|1,0,0]=3 5503 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|1,0,0]=3 5504 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,1,0|2,0,0]=4 5505 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,1,0|2,0,0]=4 5506 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,1,0|2,0,0]=4 5507 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,1,0|2,0,0]=4 5508 B14R2.422 CN(c1ccccc1)C2CC(=O)C2 269982a_100000210012_100009894365 [0,0,0,1,0,1|2,0,0]=4 5509 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,0,0,1,0,1|1,0,0]=3 5510 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 11a_100015183634_100015343762 [0,0,0,1,0,1|2,0,0]=4 5511 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 240690a_100015183634_100015343762 [0,0,0,1,0,1|2,0,0]=4 5512 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 527a_100015183634_100103153847 [0,0,0,1,0,1|2,0,0]=4 5513 B14R2.779 CC(=O)N1CC(C1)c2ccncc2 240690a_100015185986_100015343762 [0,0,0,1,0,1|2,0,0]=4 5514 B14R2.779 CC(=O)N1CC(C1)c2ccncc2 527a_100015185986_100103153847 [0,0,0,1,0,1|2,0,0]=4 5515 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,0,0,1,0,1|1,0,0]=3 5516 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 5517 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 5518 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,0,0,1,0,1|1,0,0]=3 5519 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,0,0,1,0,1|1,0,0]=3 5520 B14R2.792 CC(COC1CC1)c2ccccc2 34a_100011215166_100000211595 [0,0,0,1,0,1|1,0,1]=4 5521 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [0,0,0,1,0,1|1,0,1]=4 5522 B14R2.792 CC(OC[C@@H]1CO1)c2ccccc2 34a_100000757423_100000211855 [0,0,0,1,0,1|0,0,2]=4 5523 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [0,0,0,1,0,1|1,0,1]=4 5524 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [0,0,0,1,0,1|1,0,1]=4 5525 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 34a_100000761318_102125554688 [0,0,0,1,0,1|0,0,2]=4 5526 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 7a_100000761318_102125554688 [0,0,0,1,0,1|0,0,2]=4 5527 B14R2.792 C[C@@H](OCC1CS1)c2ccccc2 7a_100000761318_100000031435 [0,0,0,1,0,1|0,1,1]=4 5528 B14R2.792 C[C@@H](OC[C@@H]1CO1)c2ccccc2 7a_100000761318_100000745022 [0,0,0,1,0,1|0,0,2]=4 5529 B14R2.31137 C=C(C)CSC1Cc2c1cccc2 62a_100000748629_100009813401 [0,0,0,1,0,1|1,1,0]=4 5530 B14R2.31137 C=C(C)CSC1Cc2c1cccc2 62a_100009813401_100000211660 [0,0,0,1,0,1|1,1,0]=4 5531 B14R2.31137 CC(=O)NN=C1Cc2c1cccc2 4a_100000189765_100000051409 [0,0,0,1,0,1|1,0,1]=4 5532 B14R2.31137 CC(C)OCC1Cc2c1cccc2 34a_100012476685_100000210206 [0,0,0,1,0,1|1,0,1]=4 5533 B14R2.31137 CC(C)OCC1Cc2c1cccc2 7a_100012476685_100000210206 [0,0,0,1,0,1|1,0,1]=4 5534 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100000747473_100009813401 [0,0,0,1,0,1|1,1,0]=4 5535 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100009813401_100000747473 [0,0,0,1,0,1|1,1,0]=4 5536 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,0,0,1,0,1|2,0,0]=4 5537 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100009813401_100020667443 [0,0,0,1,0,1|1,1,0]=4 5538 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100020667443_100009813401 [0,0,0,1,0,1|1,1,0]=4 5539 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,1,0,1|1,0,0]=3 5540 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,1,0,1|1,0,0]=3 5541 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,1,0,1|2,0,0]=4 5542 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,1,0,1|2,0,0]=4 5543 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,1,0,1|1,0,0]=3 5544 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,1,0,1|2,0,0]=4 5545 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,1,0,1|2,0,0]=4 5546 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,1,0,1|2,0,0]=4 5547 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 5548 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 5549 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,0,0,1,0,1|1,0,0]=3 5550 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,0,0,1,0,1|1,0,0]=3 5551 B14R2.768 CC(=O)CC1Cc2ccccc2C1 1458a_100011217126_200000210301 [0,0,0,1,0,1|1,0,0]=3 5552 B14R2.768 CC(=O)CN1Cc2ccccc2C1 1458a_100015185064_200000210301 [0,0,0,1,0,1|2,0,0]=4 5553 B14R2.768 CC(=O)NC1Cc2ccccc2C1 11a_100000753258_100015343762 [0,0,0,1,0,1|1,0,0]=3 5554 B14R2.768 CC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100015343762 [0,0,0,1,0,1|1,0,0]=3 5555 B14R2.768 CC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100015343762 [0,0,0,1,0,1|1,0,0]=3 5556 B14R2.768 CC(=O)NC1Cc2ccccc2C1 527a_100000753258_100103153847 [0,0,0,1,0,1|1,0,0]=3 5557 B14R2.768 CC(C)OC1Cc2ccccc2C1 34a_100000212225_100000753484 [0,0,0,1,0,1|1,0,1]=4 5558 B14R2.768 CC(C)OC1Cc2ccccc2C1 34a_100011215286_100000210206 [0,0,0,1,0,1|1,0,1]=4 5559 B14R2.768 [13CH3]C(=O)CC1Cc2ccccc2C1 1458a_100011217126_200025704644 [0,0,0,1,0,1|1,0,0]=3 5560 B14R2.768 [13CH3]C(=O)CN1Cc2ccccc2C1 1458a_100015185064_200025704644 [0,0,0,1,0,1|2,0,0]=4 5561 B14R2.9593 CC(Cc1ccccc1)OC2CC2 34a_100000748627_100000211595 [0,0,0,1,0,1|1,0,1]=4 5562 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,1,0,1,0,0|1,0,1]=4 5563 B14R2.335 CN(c1ccccc1)C2CCC2=O 269982a_100000210012_100009892977 [0,1,0,1,0,0|2,0,0]=4 5564 B14R2.335 CN(c1ccccc1)C2CCC2=O 34a_100000210012_100009892977 [0,1,0,1,0,0|2,0,0]=4 5565 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,1,0,1,0,0|1,0,1]=4 5566 B14R2.794 CC(OC1CSC1)c2ccccc2 7a_100000072292_100000230085 [0,1,0,1,0,0|0,1,1]=4 5567 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,1,0,1,0,0|1,0,1]=4 5568 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 34a_100000761318_100009818527 [0,1,0,1,0,0|0,0,2]=4 5569 B14R2.794 C[C@@H](OC1COC1)c2ccccc2 7a_100000761318_100009818527 [0,1,0,1,0,0|0,0,2]=4 5570 B14R2.958 CCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000210202 [0,1,0,1,0,0|2,0,0]=4 5571 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,1,0,1,0,0|1,0,0]=3 5572 B14R2.958 CNC(=O)C1CC1c2cccnc2 11a_106832991635_100000746292 [0,1,0,1,0,0|2,0,0]=4 5573 B14R2.958 CNC(=O)C1CC1c2cccnc2 1626a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 5574 B14R2.958 CNC(=O)C1CC1c2cccnc2 240690a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 5575 B14R2.958 CNC(=O)C1CC1c2cccnc2 527a_100102657272_100000746292 [0,1,0,1,0,0|2,0,0]=4 5576 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [0,1,0,1,0,0|1,0,0]=3 5577 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [0,1,0,1,0,0|1,0,0]=3 5578 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [0,1,0,1,0,0|1,0,0]=3 5579 B14R2.958 O=C(CF)C1CC1c2cccnc2 1458a_100000746292_100015361967 [0,1,0,1,0,0|2,0,0]=4 5580 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [0,1,0,1,0,0|1,0,0]=3 5581 B14R2.9595 CC(OC1(CC1)C)c2ccccc2 7a_100011725673_100000230085 [0,1,0,1,0,0|1,0,1]=4 5582 B14R2.35816 C#C[C@@H](C)OC1Cc2c1cccc2 7a_100009815206_100009813401 [0,1,0,1,0,0|1,0,1]=4 5583 B14R2.35816 CC(CF)OC1Cc2c1cccc2 7a_100016041109_100009813401 [0,1,0,1,0,0|1,0,1]=4 5584 B14R2.35816 CCC(C)OC1Cc2c1cccc2 7a_100000210228_100009813401 [0,1,0,1,0,0|1,0,1]=4 5585 B14R2.20 Cc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000186775 [0,1,0,1,0,0|1,0,1]=4 5586 B14R2.20 Nc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000185761 [0,1,0,1,0,0|1,0,1]=4 5587 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Br 271570a_100010737933_100000752885 [0,1,0,1,0,0|1,0,1]=4 5588 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Cl 271570a_100010737933_100000755918 [0,1,0,1,0,0|1,0,1]=4 5589 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)F 271570a_100010737933_100000211213 [0,1,0,1,0,0|1,0,1]=4 5590 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O 271570a_100010737933_100000185759 [0,1,0,1,0,0|1,0,1]=4 5591 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,1,0,1,0,0|1,0,0]=3 5592 B14R2.933 CC(OC1CC1)c2ccc(cc2)Br 34a_100000745893_100000211595 [0,1,0,1,0,0|1,0,1]=4 5593 B14R2.933 CC(OC1CC1)c2ccc(cc2)F 34a_100000181323_100000211595 [0,1,0,1,0,0|1,0,1]=4 5594 B14R2.933 CC(OC1CC1)c2ccc(cc2)N 34a_100011216399_100000211595 [0,1,0,1,0,0|1,0,1]=4 5595 B14R2.933 C[C@H](OC1CC1)c2ccc(cc2)Cl 34a_100011852131_100000211595 [0,1,0,1,0,0|1,0,1]=4 5596 B14R2.933 Cc1ccc(cc1)[C@@H](C)OC2CC2 34a_100000690690_100000211595 [0,1,0,1,0,0|1,0,1]=4 5597 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [0,1,0,1,0,0|1,0,0]=3 5598 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [0,1,0,1,0,0|1,0,0]=3 5599 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [0,1,0,1,0,0|1,0,0]=3 5600 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [0,1,0,1,0,0|1,0,0]=3 5601 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [0,1,0,1,0,0|1,0,0]=3 5602 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [0,1,0,1,0,0|1,0,0]=3 5603 B14R2.22 Cc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100011215228 [0,1,0,1,0,0|1,0,1]=4 5604 B14R2.22 Nc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100000210019 [0,1,0,1,0,0|1,0,1]=4 5605 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Br 271570a_100010737933_100000691529 [0,1,0,1,0,0|1,0,1]=4 5606 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Cl 271570a_100010737933_100000699651 [0,1,0,1,0,0|1,0,1]=4 5607 B14R2.22 O=C1C=C(CC1)c2cccc(c2)F 271570a_100010737933_100000685547 [0,1,0,1,0,0|1,0,1]=4 5608 B14R2.22 O=C1C=C(CC1)c2cccc(c2)O 271570a_100010737933_100000211634 [0,1,0,1,0,0|1,0,1]=4 5609 B14R2.22 O=C1C=C(CC1)c2cccc(c2)[S] 271570a_100010737933_114929384022 [0,1,0,1,0,0|1,0,1]=4 5610 B14R2.4476 CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200000210301 [0,1,0,1,0,0|1,0,0]=3 5611 B14R2.4476 [13CH3]C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200025704644 [0,1,0,1,0,0|1,0,0]=3 5612 B14R2.9036 CC(OC1CC1)c2cccc(c2)Br 34a_100000246457_100000211595 [0,1,0,1,0,0|1,0,1]=4 5613 B14R2.9036 CC(OC1CC1)c2cccc(c2)F 34a_100000744526_100000211595 [0,1,0,1,0,0|1,0,1]=4 5614 B14R2.9036 CC(OC1CC1)c2cccc(c2)I 34a_100013085317_100000211595 [0,1,0,1,0,0|1,0,1]=4 5615 B14R2.9036 CC(OC1CC1)c2cccc(c2)N 34a_100011217120_100000211595 [0,1,0,1,0,0|1,0,1]=4 5616 B14R2.9036 C[C@@H](OC1CC1)c2cccc(c2)Cl 34a_100000747380_100000211595 [0,1,0,1,0,0|1,0,1]=4 5617 B14R2.9036 Cc1cccc(c1)C(C)OC2CC2 34a_100000757818_100000211595 [0,1,0,1,0,0|1,0,1]=4 5618 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,1,0,0|1,0,1]=4 5619 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,1,0,0|1,0,1]=4 5620 B14R2.780 CC(=O)N1CCC1c2ccccc2 11a_100000739605_100015343762 [0,1,0,1,0,0|1,0,0]=3 5621 B14R2.780 CC(=O)N1CCC1c2ccccc2 1626a_100000739605_100015343762 [0,1,0,1,0,0|1,0,0]=3 5622 B14R2.780 CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100015343762 [0,1,0,1,0,0|1,0,0]=3 5623 B14R2.780 CC(=O)N1CCC1c2ccccc2 527a_100000739605_100103153847 [0,1,0,1,0,0|1,0,0]=3 5624 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,1,0,1,0,0|1,0,0]=3 5625 B14R2.2 CC(=O)CN1CCc2c1cccc2 1458a_100000742689_200000210301 [0,1,0,1,0,0|2,0,0]=4 5626 B14R2.2 CC(=O)NC1COc2c1cccc2 11a_100000747519_100015343762 [0,1,0,1,0,0|1,0,0]=3 5627 B14R2.2 CC(=O)NC1COc2c1cccc2 1626a_100000747519_100015343762 [0,1,0,1,0,0|1,0,0]=3 5628 B14R2.2 CC(=O)NC1COc2c1cccc2 240690a_100000747519_100015343762 [0,1,0,1,0,0|1,0,0]=3 5629 B14R2.2 CC(=O)NC1COc2c1cccc2 527a_100000747519_100103153847 [0,1,0,1,0,0|1,0,0]=3 5630 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100015343762 [0,1,0,1,0,0|1,0,0]=3 5631 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100015343762 [0,1,0,1,0,0|1,0,0]=3 5632 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100015343762 [0,1,0,1,0,0|1,0,0]=3 5633 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100103153847 [0,1,0,1,0,0|1,0,0]=3 5634 B14R2.2 CC(C)OC1CCc2c1cccc2 34a_100000212247_100000210206 [0,1,0,1,0,0|1,0,1]=4 5635 B14R2.2 CC(C)OC1CCc2c1cccc2 7a_100000212247_100000210206 [0,1,0,1,0,0|1,0,1]=4 5636 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,1,0,1,0,0|1,0,0]=3 5637 B14R2.2 [13CH3]C(=O)CN1CCc2c1cccc2 1458a_100000742689_200025704644 [0,1,0,1,0,0|2,0,0]=4 5638 B14R2.256 Cc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210755 [0,1,0,1,0,0|1,0,1]=4 5639 B14R2.256 Nc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210017 [0,1,0,1,0,0|1,0,1]=4 5640 B14R2.256 O=C1C=C(CC1)c2ccccc2Br 271570a_100010737933_100000695589 [0,1,0,1,0,0|1,0,1]=4 5641 B14R2.256 O=C1C=C(CC1)c2ccccc2Cl 271570a_100010737933_100000764095 [0,1,0,1,0,0|1,0,1]=4 5642 B14R2.256 O=C1C=C(CC1)c2ccccc2F 271570a_100010737933_100011215700 [0,1,0,1,0,0|1,0,1]=4 5643 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,1,0,1,0,0|1,0,1]=4 5644 B14R2.256 O=C1CC(CN1)c2ccccc2O 271570a_203496583355_100015473168 [0,1,0,1,0,0|2,0,0]=4 5645 B14R2.4633 CC(OC1CC1)c2ccccc2Br 34a_100000702211_100000211595 [0,1,0,1,0,0|1,0,1]=4 5646 B14R2.4633 CC(OC1CC1)c2ccccc2Cl 34a_100000740796_100000211595 [0,1,0,1,0,0|1,0,1]=4 5647 B14R2.4633 CC(OC1CC1)c2ccccc2F 34a_100000697922_100000211595 [0,1,0,1,0,0|1,0,1]=4 5648 B14R2.4633 Cc1ccccc1C(C)OC2CC2 34a_100000742021_100000211595 [0,1,0,1,0,0|1,0,1]=4 5649 B14R2.5443 CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_200000210301 [0,1,0,1,0,0|1,0,0]=3 5650 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200000210301 [0,1,0,1,0,0|1,0,0]=3 5651 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Br 1458a_100000748278_200025704644 [0,1,0,1,0,0|1,0,0]=3 5652 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200025704644 [0,1,0,1,0,0|1,0,0]=3 5653 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 11a_100000749958_100015343762 [0,1,0,1,0,0|1,0,0]=3 5654 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 1626a_100000749958_100015343762 [0,1,0,1,0,0|1,0,0]=3 5655 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100015343762 [0,1,0,1,0,0|1,0,0]=3 5656 B14R2.1014 CC(=O)NC1(CC1)c2ccccc2 527a_100000749958_100103153847 [0,1,0,1,0,0|1,0,0]=3 5657 B14R2.1014 CC(=O)NC1(CC1)c2ccccn2 11a_100000727909_100015343762 [0,1,0,1,0,0|2,0,0]=4 5658 B14R2.1014 CC(=O)NC1(CC1)c2ccccn2 1626a_100000727909_100015343762 [0,1,0,1,0,0|2,0,0]=4 5659 B14R2.1014 CC(=O)NC1(CC1)c2ccccn2 240690a_100000727909_100015343762 [0,1,0,1,0,0|2,0,0]=4 5660 B14R2.1014 CC(=O)NC1(CC1)c2ccccn2 527a_100000727909_100103153847 [0,1,0,1,0,0|2,0,0]=4 5661 B14R2.1014 CC(=O)NC1(CC1)c2cccnc2 11a_100020592340_100015343762 [0,1,0,1,0,0|2,0,0]=4 5662 B14R2.1014 CC(=O)NC1(CC1)c2cccnc2 1626a_100020592340_100015343762 [0,1,0,1,0,0|2,0,0]=4 5663 B14R2.1014 CC(=O)NC1(CC1)c2cccnc2 240690a_100020592340_100015343762 [0,1,0,1,0,0|2,0,0]=4 5664 B14R2.1014 CC(=O)NC1(CC1)c2cccnc2 527a_100020592340_100103153847 [0,1,0,1,0,0|2,0,0]=4 5665 B14R2.45895 CC(C)(C)OC1Cc2c1cccc2 7a_100015890283_100009813401 [0,1,0,1,0,0|1,0,1]=4 5666 B14R2.1256 CCC(OC1CC1)c2ccccc2 34a_100000698172_100000211595 [0,1,0,1,0,0|1,0,1]=4 5667 B14R2.1256 ClC[C@@H](OC1CC1)c2ccccc2 34a_100011933945_100000211595 [0,1,0,1,0,0|1,0,1]=4 5668 B14R2.1256 NCC(OC1CC1)c2ccccc2 34a_100000210709_100000211595 [0,1,0,1,0,0|1,0,1]=4 5669 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,0,1,0,1,0|1,0,0]=3 5670 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [0,0,1,0,1,0|2,0,0]=4 5671 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [1,0,0,0,1,0|1,0,1]=4 5672 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [1,0,0,0,1,0|1,0,1]=4 5673 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,0,0,0,1,0|1,0,1]=4 5674 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,0,0,0,1,0|1,0,1]=4 5675 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [1,0,0,0,1,0|1,0,1]=4 5676 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,1,0|1,0,1]=4 5677 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,1,0|1,0,0]=3 5678 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,1,0|0,0,0]=2 5679 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,1,0|1,0,0]=3 5680 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,1,0|1,0,0]=3 5681 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,1,0|1,0,0]=3 5682 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,1,0|1,0,0]=3 5683 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,1,0|2,0,0]=4 5684 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,1,0|1,0,0]=3 5685 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,1,0|2,0,0]=4 5686 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,1,0|2,0,0]=4 5687 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,1,0|2,0,0]=4 5688 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,1,0|2,0,0]=4 5689 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,1,0|1,0,0]=3 5690 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,1,0|1,0,0]=3 5691 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,1,0|1,0,0]=3 5692 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,1,0|1,0,0]=3 5693 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,1,0|1,0,1]=4 5694 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,1,0|1,0,1]=4 5695 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,1,0|2,0,0]=4 5696 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,1,0|2,0,0]=4 5697 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,1,0|2,0,0]=4 5698 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,1,0|2,0,0]=4 5699 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,1,0|2,0,0]=4 5700 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,1,0|2,0,0]=4 5701 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,1,0|2,0,0]=4 5702 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,1,0|1,0,0]=3 5703 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,1,0|1,0,0]=3 5704 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,1,0|1,0,0]=3 5705 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,1,0|2,0,0]=4 5706 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,1,0|2,0,0]=4 5707 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,1,0|2,0,0]=4 5708 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,1,0|2,0,0]=4 5709 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,1,0|2,0,0]=4 5710 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,1,0|2,0,0]=4 5711 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,1,0|2,0,0]=4 5712 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [1,0,0,0,1,0|2,0,0]=4 5713 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [1,0,0,0,1,0|2,0,0]=4 5714 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,1,0|2,0,0]=4 5715 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,1,0|2,0,0]=4 5716 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,1,0|2,0,0]=4 5717 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,0,0,0,1,0|2,0,0]=4 5718 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,0,0,0,1,0|2,0,0]=4 5719 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,0,0,0,1,0|2,0,0]=4 5720 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,0,0,0,1,0|2,0,0]=4 5721 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 5722 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 5723 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 5724 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,1,0|2,0,0]=4 5725 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [1,0,0,0,1,0|2,0,0]=4 5726 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [1,0,0,0,1,0|2,0,0]=4 5727 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [1,0,0,0,1,0|2,0,0]=4 5728 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [1,0,0,0,1,0|2,0,0]=4 5729 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [1,0,0,0,1,0|2,0,0]=4 5730 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [1,0,0,0,1,0|2,0,0]=4 5731 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [1,0,0,0,1,0|2,0,0]=4 5732 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [1,0,0,0,1,0|2,0,0]=4 5733 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,1,0|2,0,0]=4 5734 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,1,0|2,0,0]=4 5735 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,1,0|2,0,0]=4 5736 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,1,0|2,0,0]=4 5737 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,1,0|2,0,0]=4 5738 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [1,0,0,0,1,0|2,0,0]=4 5739 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,0,0,0,2,0|1,0,0]=3 5740 B10R1.23 CC(=O)C(C)n1ccnc1 1458a_100000739688_200000210301 [0,0,0,0,2,0|2,0,0]=4 5741 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,0,0,0,2,0|1,0,0]=3 5742 B10R1.23 CC(C(=O)[13CH3])n1ccnc1 1458a_100000739688_200025704644 [0,0,0,0,2,0|2,0,0]=4 5743 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,0,0,0,0,1|2,0,0]=4 5744 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,0,0,0,0,1|2,0,0]=4 5745 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 5746 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 5747 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 5748 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 5749 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [1,0,0,0,0,1|1,0,1]=4 5750 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [1,0,0,0,0,1|1,0,1]=4 5751 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,0,0,0,0,1|1,0,1]=4 5752 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,0,0,0,0,1|1,0,1]=4 5753 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,0,0,0,0,1|1,0,1]=4 5754 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,0,0,0,0,1|1,0,1]=4 5755 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,0,0,0,0,1|1,0,1]=4 5756 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [1,0,0,0,0,1|0,0,1]=3 5757 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [1,0,0,0,0,1|0,0,1]=3 5758 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [1,0,0,0,0,1|0,0,1]=3 5759 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [1,0,0,0,0,1|0,1,1]=4 5760 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [1,0,0,0,0,1|0,1,1]=4 5761 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,0,0,0,0,1|2,0,0]=4 5762 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,0,0,0,0,1|2,0,0]=4 5763 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,0,0,0,0,1|2,0,0]=4 5764 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,0,0,0,0,1|2,0,0]=4 5765 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 5766 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 5767 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,0,0,0,0,1|2,0,0]=4 5768 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 5769 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 5770 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 5771 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 5772 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,0,0,0,0,1|2,0,0]=4 5773 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,0,0,0,0,1|2,0,0]=4 5774 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [1,0,0,0,0,1|2,0,0]=4 5775 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [1,0,0,0,0,1|2,0,0]=4 5776 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [1,0,0,0,0,1|2,0,0]=4 5777 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [1,0,0,0,0,1|2,0,0]=4 5778 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [1,0,0,0,0,1|2,0,0]=4 5779 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [1,0,0,0,0,1|2,0,0]=4 5780 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [1,0,0,0,0,1|2,0,0]=4 5781 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [1,0,0,0,0,1|1,0,0]=3 5782 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [1,0,0,0,0,1|1,0,0]=3 5783 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [1,0,0,0,0,1|1,0,0]=3 5784 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [1,0,0,0,0,1|2,0,0]=4 5785 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [1,0,0,0,0,1|2,0,0]=4 5786 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [1,0,0,0,0,1|1,1,0]=4 5787 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [1,0,0,0,0,1|1,1,0]=4 5788 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [1,0,0,0,0,1|1,0,1]=4 5789 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [1,0,0,0,0,1|1,0,1]=4 5790 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [1,0,0,0,0,1|1,0,1]=4 5791 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [1,0,0,0,0,1|2,0,0]=4 5792 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [1,0,0,0,0,1|2,0,0]=4 5793 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [1,0,0,0,0,1|2,0,0]=4 5794 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [1,0,0,0,0,1|2,0,0]=4 5795 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [1,0,0,0,0,1|2,0,0]=4 5796 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,0,1|1,0,1]=4 5797 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,0,1|1,0,1]=4 5798 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,0,0,0,0,1|1,0,1]=4 5799 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [1,0,0,0,0,1|1,0,1]=4 5800 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,0,1|1,0,0]=3 5801 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,0,1|1,0,0]=3 5802 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,0,0,0,0,1|2,0,0]=4 5803 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,0,0,0,0,1|2,0,0]=4 5804 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,0,1|1,0,0]=3 5805 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,0,1|1,0,0]=3 5806 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,0,1|1,0,0]=3 5807 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [1,0,0,0,0,1|2,0,0]=4 5808 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,0,1|1,0,0]=3 5809 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,0,1|1,0,0]=3 5810 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,0,1|1,0,0]=3 5811 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,0,1|1,0,0]=3 5812 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [1,0,0,0,0,1|2,0,0]=4 5813 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [1,0,0,0,0,1|2,0,0]=4 5814 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [1,0,0,0,0,1|2,0,0]=4 5815 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [1,0,0,0,0,1|2,0,0]=4 5816 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [1,0,0,0,0,1|2,0,0]=4 5817 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [1,0,0,0,0,1|2,0,0]=4 5818 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,0,0,0,0,1|0,0,0]=2 5819 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,0,0,0,0,1|0,0,0]=2 5820 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [1,0,0,0,0,1|1,0,0]=3 5821 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [1,0,0,0,0,1|1,0,0]=3 5822 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [1,0,0,0,0,1|2,0,0]=4 5823 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [1,0,0,0,0,1|2,0,0]=4 5824 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [1,0,0,0,0,1|2,0,0]=4 5825 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [1,0,0,0,0,1|2,0,0]=4 5826 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,0,0,0,0,1|0,1,0]=3 5827 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,0,0,0,0,1|0,1,0]=3 5828 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [1,0,0,0,0,1|1,1,0]=4 5829 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 5830 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 5831 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 5832 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,0,0,0,1|1,0,0]=3 5833 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 5834 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 5835 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 5836 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [1,0,0,0,0,1|2,0,0]=4 5837 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 5838 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 5839 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 5840 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [1,0,0,0,0,1|2,0,0]=4 5841 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 5842 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 5843 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 5844 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [1,0,0,0,0,1|2,0,0]=4 5845 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,0,0,0,0,1|1,0,1]=4 5846 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,0,0,0,0,1|1,0,0]=3 5847 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [1,0,0,0,0,1|2,0,0]=4 5848 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [1,0,0,0,0,1|2,0,0]=4 5849 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [1,0,0,0,0,1|2,0,0]=4 5850 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,0,0,0,0,1|0,0,0]=2 5851 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,0,0,0,0,1|0,0,0]=2 5852 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [1,0,0,0,0,1|1,0,0]=3 5853 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [1,0,0,0,0,1|1,0,0]=3 5854 B12R1.252 CC(=O)OCOc1ccnnc1 34a_100015204005_100009813279 [1,0,0,0,0,1|2,0,0]=4 5855 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,0,0,0,0,1|0,0,0]=2 5856 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,0,0,0,0,1|0,0,0]=2 5857 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [1,0,0,0,0,1|1,0,0]=3 5858 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [1,0,0,0,0,1|1,0,0]=3 5859 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [1,0,0,0,0,1|1,0,0]=3 5860 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [1,0,0,0,0,1|1,0,0]=3 5861 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [1,0,0,0,0,1|2,0,0]=4 5862 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [1,0,0,0,0,1|2,0,0]=4 5863 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [1,0,0,0,0,1|1,0,0]=3 5864 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [1,0,0,0,0,1|1,0,0]=3 5865 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [1,0,0,0,0,1|2,0,0]=4 5866 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [1,0,0,0,0,1|2,0,0]=4 5867 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000076356_100000732662 [1,0,0,0,0,1|2,0,0]=4 5868 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000732662_100000076356 [1,0,0,0,0,1|2,0,0]=4 5869 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [1,0,0,0,0,1|2,0,0]=4 5870 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [1,0,0,0,0,1|2,0,0]=4 5871 B12R1.252 CC(=O)OCSc1cncnc1 62a_100000076356_100011206942 [1,0,0,0,0,1|2,0,0]=4 5872 B12R1.252 CC(=O)OCSc1cncnc1 62a_100011206942_100000076356 [1,0,0,0,0,1|2,0,0]=4 5873 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [1,0,0,0,0,1|2,0,0]=4 5874 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [1,0,0,0,0,1|2,0,0]=4 5875 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [1,0,0,0,0,1|1,0,1]=4 5876 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [1,0,0,0,0,1|1,0,1]=4 5877 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [1,0,0,0,0,1|1,0,1]=4 5878 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [1,0,0,0,0,1|1,0,1]=4 5879 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [1,0,0,0,0,1|1,0,1]=4 5880 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [1,0,0,0,0,1|1,0,1]=4 5881 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [1,0,0,0,0,1|1,0,1]=4 5882 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [1,0,0,0,0,1|1,0,1]=4 5883 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [1,0,0,0,0,1|1,0,1]=4 5884 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [1,0,0,0,0,1|1,0,1]=4 5885 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [1,0,0,0,0,1|1,0,1]=4 5886 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [1,0,0,0,0,1|1,0,1]=4 5887 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [1,0,0,0,0,1|0,0,2]=4 5888 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [1,0,0,0,0,1|0,0,2]=4 5889 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [1,0,0,0,0,1|2,0,0]=4 5890 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [1,0,0,0,0,1|1,0,1]=4 5891 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [1,0,0,0,0,1|1,0,1]=4 5892 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [1,0,0,0,0,1|0,0,2]=4 5893 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [1,0,0,0,0,1|0,0,2]=4 5894 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,0,0,0,0,1|2,0,0]=4 5895 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,0,0,0,0,1|2,0,0]=4 5896 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,0,0,0,0,1|2,0,0]=4 5897 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,0,0,0,0,1|2,0,0]=4 5898 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,0,0,0,0,1|2,0,0]=4 5899 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,0,0,0,0,1|2,0,0]=4 5900 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,0,0,0,0,1|2,0,0]=4 5901 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,0,0,0,0,1|2,0,0]=4 5902 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,0,0,0,0,1|1,0,0]=3 5903 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,0,0,0,0,1|1,0,0]=3 5904 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,0,0,0,0,1|1,1,0]=4 5905 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,0,0,0,0,1|1,1,0]=4 5906 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,0,1|2,0,0]=4 5907 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,0,0,0,0,1|2,0,0]=4 5908 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,0,0,0,0,1|1,0,0]=3 5909 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,0,0,0,0,1|1,1,0]=4 5910 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,0,0,0,0,1|1,1,0]=4 5911 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [1,0,0,0,0,1|2,0,0]=4 5912 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,0,1|1,0,1]=4 5913 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,0,0,0,0,1|1,0,1]=4 5914 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,0,1|1,0,0]=3 5915 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,0,0,0,0,1|2,0,0]=4 5916 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,0,0,0,0,1|2,0,0]=4 5917 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,0,1|1,0,0]=3 5918 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,0,1|1,0,0]=3 5919 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,0,0,0,0,1|0,0,0]=2 5920 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,0,0,0,0,1|0,1,0]=3 5921 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [1,0,0,0,0,1|1,1,0]=4 5922 B12R1.54 C=C(C)COC(C)c1ccsc1 34a_100011350980_100000748629 [0,0,0,0,1,1|2,0,0]=4 5923 B12R1.54 C=C(C)COC(C)c1ccsc1 7a_100011350980_100000748629 [0,0,0,0,1,1|2,0,0]=4 5924 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,0,0,0,1,1|2,0,0]=4 5925 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,0,0,0,1,1|2,0,0]=4 5926 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 7a_100000750433_100000748629 [0,0,0,0,1,1|2,0,0]=4 5927 B12R1.54 CC(OCC(=O)N)c1ccsc1 34a_100011350980_100000187820 [0,0,0,0,1,1|2,0,0]=4 5928 B12R1.54 CC(OCC(=O)N)c1ccsc1 7a_100011350980_100000187820 [0,0,0,0,1,1|2,0,0]=4 5929 B12R1.54 CC(OCC(=O)[O-])c1ccsc1 34a_100011350980_100020667443 [0,0,0,0,1,1|2,0,0]=4 5930 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 7a_100000750433_100000187820 [0,0,0,0,1,1|2,0,0]=4 5931 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,0,0,0,1,1|2,0,0]=4 5932 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,0,0,0,1,1|2,0,0]=4 5933 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,0,0,0,1,1|2,0,0]=4 5934 B14R1.420 C=C(Br)CCOC(C)c1ccccc1 34a_100009813270_100000211855 [0,0,0,0,0,2|1,0,1]=4 5935 B14R1.420 C=C(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000730704 [0,0,0,0,0,2|2,0,0]=4 5936 B14R1.420 C=C(C)CCOC(C)c1ccccc1 34a_100000764851_100000211855 [0,0,0,0,0,2|1,0,0]=3 5937 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000730704 [0,0,0,0,0,2|1,0,0]=3 5938 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000730704 [0,0,0,0,0,2|1,0,0]=3 5939 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000230085_100000730704 [0,0,0,0,0,2|1,1,0]=4 5940 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000730704_100000230085 [0,0,0,0,0,2|1,1,0]=4 5941 B14R1.420 C=C(C)CNCC(C)c1ccccc1 2230a_100000701038_100000748629 [0,0,0,0,0,2|2,0,0]=4 5942 B14R1.420 C=C(C)CNCC(C)c1ccccc1 34a_100000701038_100000748629 [0,0,0,0,0,2|2,0,0]=4 5943 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100000210245_100000756946 [0,0,0,0,0,2|1,0,0]=3 5944 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100011215166_100000748629 [0,0,0,0,0,2|1,0,0]=3 5945 B14R1.420 C=C(C)COCC(C)c1ccccc1 7a_100011215166_100000748629 [0,0,0,0,0,2|1,0,0]=3 5946 B14R1.420 C=C(C)COCC(O)c1ccccc1 34a_100000210245_100000185958 [0,0,0,0,0,2|2,0,0]=4 5947 B14R1.420 C=C(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000748629 [0,0,0,0,0,2|2,0,0]=4 5948 B14R1.420 C=C(C)COC[C@@H](O)c1ccccc1 34a_100000210245_100011933945 [0,0,0,0,0,2|2,0,0]=4 5949 B14R1.420 C=C(C)CSCC(C)c1ccccc1 62a_100000748629_100000756946 [0,0,0,0,0,2|1,1,0]=4 5950 B14R1.420 C=C(C)CSCC(C)c1ccccc1 62a_100000756946_100000211660 [0,0,0,0,0,2|1,1,0]=4 5951 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_100011215166_100009893438 [0,0,0,0,0,2|1,0,1]=4 5952 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_200010262243_100000756946 [0,0,0,0,0,2|1,0,1]=4 5953 B14R1.420 C=C(F)COCC(C)c1ccccc1 7a_100011215166_100000042424 [0,0,0,0,0,2|1,0,1]=4 5954 B14R1.420 CC(=CCNC(C)c1ccccc1)C 34a_100000718196_100000211855 [0,0,0,0,0,2|2,0,0]=4 5955 B14R1.420 CC(=CCN[C@H](C)c1ccccc1)C 2230a_100000751104_100000761012 [0,0,0,0,0,2|2,0,0]=4 5956 B14R1.420 CC(=CCOC(C)c1ccccc1)C 34a_100000753907_100000211855 [0,0,0,0,0,2|1,0,0]=3 5957 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 34a_100000761318_100000761012 [0,0,0,0,0,2|1,0,0]=3 5958 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 7a_100000761318_100000761012 [0,0,0,0,0,2|1,0,0]=3 5959 B14R1.420 CC(=CCSC(C)c1ccccc1)C 62a_100000230085_100000761012 [0,0,0,0,0,2|1,1,0]=4 5960 B14R1.420 CC(=CCSC(C)c1ccccc1)C 62a_100000761012_100000230085 [0,0,0,0,0,2|1,1,0]=4 5961 B14R1.420 CC(=O)CCCN(C)c1ccccc1 269982a_100000210012_100011215641 [0,0,0,0,0,2|2,0,0]=4 5962 B14R1.420 CC(=O)CCCN(C)c1ccccc1 34a_100000210012_100000685027 [0,0,0,0,0,2|2,0,0]=4 5963 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,0,0,0,0,2|1,0,1]=4 5964 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,0,0,0,0,2|0,0,0]=2 5965 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,0,0,0,0,2|0,0,0]=2 5966 B14R1.420 CC(=O)CCOC(C)c1cnccn1 7a_100000759926_200000703233 [0,0,0,0,0,2|2,0,0]=4 5967 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,0,0,0,0,2|0,0,0]=2 5968 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000053229_100000230085 [0,0,0,0,0,2|0,1,0]=3 5969 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000053229 [0,0,0,0,0,2|0,1,0]=3 5970 B14R1.420 CC(=O)COCC(C)c1ccccc1 34a_100000211253_100000756946 [0,0,0,0,0,2|0,0,0]=2 5971 B14R1.420 CC(=O)COCC(O)c1ccccc1 34a_100000211253_100000185958 [0,0,0,0,0,2|1,0,0]=3 5972 B14R1.420 CC(=O)COC[C@@H](O)c1ccccc1 34a_100000211253_100011933945 [0,0,0,0,0,2|1,0,0]=3 5973 B14R1.420 CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100015343762 [0,0,0,0,0,2|2,0,0]=4 5974 B14R1.420 CC(=O)NCCC(O)c1ccccc1 527a_100000763605_100103153847 [0,0,0,0,0,2|2,0,0]=4 5975 B14R1.420 CC(=O)NCCN(C)c1ccccc1 2230a_100000210012_100000189650 [0,0,0,0,0,2|2,0,0]=4 5976 B14R1.420 CC(=O)NCCN(C)c1ccccc1 240690a_100000231046_100015343762 [0,0,0,0,0,2|2,0,0]=4 5977 B14R1.420 CC(=O)NCCN(C)c1ccccc1 269982a_100000210012_100000189650 [0,0,0,0,0,2|2,0,0]=4 5978 B14R1.420 CC(=O)NCCN(C)c1ccccc1 527a_100000231046_100103153847 [0,0,0,0,0,2|2,0,0]=4 5979 B14R1.420 CC(=O)NN=CC(C)c1ccccc1 4a_100000189765_100000212034 [0,0,0,0,0,2|1,0,0]=3 5980 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,0,0,0,0,2|1,0,1]=4 5981 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [0,0,0,0,0,2|1,0,0]=3 5982 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [0,0,0,0,0,2|1,0,0]=3 5983 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [0,0,0,0,0,2|0,0,0]=2 5984 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [0,0,0,0,0,2|0,0,0]=2 5985 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [0,0,0,0,0,2|0,0,0]=2 5986 B14R1.420 CC(=O)OCSC(C)c1cnccn1 62a_100000076356_200000703233 [0,0,0,0,0,2|2,0,0]=4 5987 B14R1.420 CC(=O)OCSC(C)c1cnccn1 62a_200000703233_100000076356 [0,0,0,0,0,2|2,0,0]=4 5988 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,0,0,0,0,2|1,0,1]=4 5989 B14R1.420 CC(Br)COCC(C)c1ccccc1 34a_100012180447_100000756946 [0,0,0,0,0,2|1,0,1]=4 5990 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,0,0,0,0,2|1,0,1]=4 5991 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,0,0,0,0,2|1,0,1]=4 5992 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,0,0,0,0,2|1,0,1]=4 5993 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,0,0,0,0,2|1,0,1]=4 5994 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100000210257_100000756946 [0,0,0,0,0,2|1,0,1]=4 5995 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100011215166_100000210624 [0,0,0,0,0,2|1,0,1]=4 5996 B14R1.420 CC(C)COCC(C)c1ccccc1 7a_100011215166_100000210760 [0,0,0,0,0,2|1,0,1]=4 5997 B14R1.420 CC(C)OCN[C@H](C)c1ccccc1 2230a_100000751104_100000709892 [0,0,0,0,0,2|1,0,1]=4 5998 B14R1.420 CC(C)OCO[C@H](C)c1ccccc1 34a_100000761318_100000709892 [0,0,0,0,0,2|1,0,1]=4 5999 B14R1.420 CC(C)OCSC(C)c1ccccc1 62a_100000230085_100000709892 [0,0,0,0,0,2|1,0,1]=4 6000 B14R1.420 CC(C)OCSC(C)c1ccccc1 62a_100000709892_100000230085 [0,0,0,0,0,2|1,0,1]=4 6001 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000701038_100000747473 [0,0,0,0,0,2|2,0,0]=4 6002 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000711301_100000756946 [0,0,0,0,0,2|2,0,0]=4 6003 B14R1.420 CC(CNCC(=O)N)c1ccccc1 34a_100000701038_100000187820 [0,0,0,0,0,2|2,0,0]=4 6004 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [0,0,0,0,0,2|2,0,0]=4 6005 B14R1.420 CC(CNCC(=O)[O-])c1ccccc1 34a_100000701038_100020667443 [0,0,0,0,0,2|2,0,0]=4 6006 B14R1.420 CC(COCC(=O)N)c1ccccc1 34a_100011215166_100000187820 [0,0,0,0,0,2|1,0,0]=3 6007 B14R1.420 CC(COCC(=O)N)c1ccccc1 7a_100011215166_100000187820 [0,0,0,0,0,2|1,0,0]=3 6008 B14R1.420 CC(COCC(=O)[O-])c1ccccc1 34a_100011215166_100020667443 [0,0,0,0,0,2|1,0,0]=3 6009 B14R1.420 CC(COC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000756946 [0,0,0,0,0,2|1,0,1]=4 6010 B14R1.420 CC(COC[C@@H](C)N)c1ccccc1 34a_100000737577_100000756946 [0,0,0,0,0,2|1,0,1]=4 6011 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 34a_100011215166_100009817552 [0,0,0,0,0,2|0,0,2]=4 6012 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 7a_100011215166_100009817552 [0,0,0,0,0,2|0,0,2]=4 6013 B14R1.420 CC(COC[N+](=O)[O-])c1ccccc1 34a_100011215166_100000761209 [0,0,0,0,0,2|2,0,0]=4 6014 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000747473_100000756946 [0,0,0,0,0,2|1,1,0]=4 6015 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000756946_100000747473 [0,0,0,0,0,2|1,1,0]=4 6016 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100000756946_100020667443 [0,0,0,0,0,2|1,1,0]=4 6017 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100020667443_100000756946 [0,0,0,0,0,2|1,1,0]=4 6018 B14R1.420 CC(F)COCC(C)c1ccccc1 34a_100015925927_100000756946 [0,0,0,0,0,2|1,0,1]=4 6019 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,0,0,0,0,2|2,0,0]=4 6020 B14R1.420 CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000211855 [0,0,0,0,0,2|1,0,0]=3 6021 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,0,0,0,0,2|0,0,2]=4 6022 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,0,0,0,0,2|0,0,2]=4 6023 B14R1.420 CC(O)COCC(C)c1ccccc1 34a_100011215166_100011218427 [0,0,0,0,0,2|0,0,2]=4 6024 B14R1.420 CC(O)COCC(C)c1ccccc1 7a_100011215166_100011218427 [0,0,0,0,0,2|0,0,2]=4 6025 B14R1.420 CC(OCCC(=O)N)c1ccccc1 34a_100000757172_100000211855 [0,0,0,0,0,2|1,0,0]=3 6026 B14R1.420 CC(OCCC(=O)N)c1ccccc1 7a_100000757172_100000230085 [0,0,0,0,0,2|1,0,0]=3 6027 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,0,0,0,0,2|1,0,1]=4 6028 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000230085_100000744528 [0,0,0,0,0,2|1,1,0]=4 6029 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000744528_100000230085 [0,0,0,0,0,2|1,1,0]=4 6030 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,0,0,0,0,2|2,0,0]=4 6031 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,0,0,0,0,2|2,0,0]=4 6032 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,0,0,0,0,2|2,0,0]=4 6033 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 34a_100000761318_100000731001 [0,0,0,0,0,2|1,0,0]=3 6034 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 7a_100000761318_100000744528 [0,0,0,0,0,2|1,0,0]=3 6035 B14R1.420 C[C@@H](OCCN(C)C)c1ccccc1 7a_100000761318_100000755713 [0,0,0,0,0,2|2,0,0]=4 6036 B14R1.420 NC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000187820 [0,0,0,0,0,2|2,0,0]=4 6037 B14R1.420 N[C@H](COCC(=O)[O-])c1ccccc1 34a_100000751927_100020667443 [0,0,0,0,0,2|2,0,0]=4 6038 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000210245_200011218536 [0,0,0,0,0,2|1,0,0]=3 6039 B14R1.423 C=C(C)COC(C)Cc1ccccc1 34a_100000748627_100000748629 [0,0,0,0,0,2|1,0,0]=3 6040 B14R1.423 C=C(C)COC(C)Cc1ccccc1 7a_100000748627_100000748629 [0,0,0,0,0,2|1,0,0]=3 6041 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_100000748629_200011218536 [0,0,0,0,0,2|1,1,0]=4 6042 B14R1.423 C=C(C)CSC(C)Cc1ccccc1 62a_200011218536_100000211660 [0,0,0,0,0,2|1,1,0]=4 6043 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_100000748627_100009893438 [0,0,0,0,0,2|1,0,1]=4 6044 B14R1.423 C=C(F)COC(C)Cc1ccccc1 34a_200010262243_200011218536 [0,0,0,0,0,2|1,0,1]=4 6045 B14R1.423 C=C(F)COC(C)Cc1ccccc1 7a_100000748627_100000042424 [0,0,0,0,0,2|1,0,1]=4 6046 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [0,0,0,0,0,2|2,0,0]=4 6047 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [0,0,0,0,0,2|2,0,0]=4 6048 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [0,0,0,0,0,2|2,0,0]=4 6049 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [0,0,0,0,0,2|0,0,0]=2 6050 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100015343762 [0,0,0,0,0,2|1,0,0]=3 6051 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100015343762 [0,0,0,0,0,2|1,0,0]=3 6052 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100015343762 [0,0,0,0,0,2|1,0,0]=3 6053 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100103153847 [0,0,0,0,0,2|1,0,0]=3 6054 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 11a_200011219418_100015343762 [0,0,0,0,0,2|2,0,0]=4 6055 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 1626a_200011219418_100015343762 [0,0,0,0,0,2|2,0,0]=4 6056 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 240690a_200011219418_100015343762 [0,0,0,0,0,2|2,0,0]=4 6057 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 527a_200011219418_100103153847 [0,0,0,0,0,2|2,0,0]=4 6058 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,0,0,0,0,2|2,0,0]=4 6059 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,0,0,0,0,2|2,0,0]=4 6060 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,0,0,0,0,2|1,0,1]=4 6061 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [0,0,0,0,0,2|1,0,1]=4 6062 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [0,0,0,0,0,2|1,0,1]=4 6063 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [0,0,0,0,0,2|1,0,1]=4 6064 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [0,0,0,0,0,2|1,0,0]=3 6065 B14R1.423 CC(=O)OCN(C)Cc1ccccn1 269982a_100000207498_100000076356 [0,0,0,0,0,2|2,0,0]=4 6066 B14R1.423 CC(=O)OCN(C)Cc1cccnc1 269982a_100000184577_100000076356 [0,0,0,0,0,2|2,0,0]=4 6067 B14R1.423 CC(=O)OCN(C)Cc1ccncc1 269982a_100000187231_100000076356 [0,0,0,0,0,2|2,0,0]=4 6068 B14R1.423 CC(Br)COC(C)Cc1ccccc1 34a_100012180447_200011218536 [0,0,0,0,0,2|1,0,1]=4 6069 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [0,0,0,0,0,2|1,0,1]=4 6070 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [0,0,0,0,0,2|1,0,1]=4 6071 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [0,0,0,0,0,2|1,0,1]=4 6072 B14R1.423 CC(C)OCC(C)Oc1ccccc1 34a_200000036796_100000210206 [0,0,0,0,0,2|1,0,1]=4 6073 B14R1.423 CC(C)OCC(C)Oc1ccccc1 7a_200000036796_100000210206 [0,0,0,0,0,2|1,0,1]=4 6074 B14R1.423 CC(COC(C)C)Cc1ccccc1 34a_100012125295_100000210206 [0,0,0,0,0,2|1,0,1]=4 6075 B14R1.423 CC(COC(C)C)Cc1ccccc1 7a_100012125295_100000210206 [0,0,0,0,0,2|1,0,1]=4 6076 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,0,0,0,0,2|2,0,0]=4 6077 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,0,0,0,0,2|1,0,0]=3 6078 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,0,0,0,0,2|1,0,0]=3 6079 B14R1.423 CC(Cc1ccccc1)OCC(=O)[O-] 34a_100000748627_100020667443 [0,0,0,0,0,2|1,0,0]=3 6080 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200011218536 [0,0,0,0,0,2|1,0,1]=4 6081 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)N 34a_100000737577_200011218536 [0,0,0,0,0,2|1,0,1]=4 6082 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [0,0,0,0,0,2|0,0,2]=4 6083 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [0,0,0,0,0,2|0,0,2]=4 6084 B14R1.423 CC(Cc1ccccc1)OC[N+](=O)[O-] 34a_100000748627_100000761209 [0,0,0,0,0,2|2,0,0]=4 6085 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,0,0,0,0,2|1,1,0]=4 6086 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,0,0,0,0,2|1,1,0]=4 6087 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_200011218536 [0,0,0,0,0,2|1,1,0]=4 6088 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_200011218536_100020667443 [0,0,0,0,0,2|1,1,0]=4 6089 B14R1.423 CC(F)COC(C)Cc1ccccc1 34a_100015925927_200011218536 [0,0,0,0,0,2|1,0,1]=4 6090 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [0,0,0,0,0,2|0,0,2]=4 6091 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [0,0,0,0,0,2|0,0,2]=4 6092 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [0,0,0,0,0,2|2,0,0]=4 6093 B14R1.818 CC(=CC(C)OCc1ccccc1)C 34a_100000717055_100015291786 [0,0,0,0,0,2|2,0,0]=4 6094 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,0,0,0,0,2|1,0,0]=3 6095 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,0,0,0,0,2|1,0,0]=3 6096 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,0,0,0,0,2|1,0,0]=3 6097 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,0,0,0,0,2|1,0,0]=3 6098 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,0,0,0,0,2|1,0,0]=3 6099 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,0,0,0,0,2|1,0,0]=3 6100 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,0,0,0,0,2|1,0,0]=3 6101 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,0,0,0,0,2|1,0,0]=3 6102 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,0,0,0,0,2|0,0,0]=2 6103 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,0,0,0,0,2|0,0,0]=2 6104 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100000721315_100009818208 [0,0,0,0,0,2|1,0,0]=3 6105 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100009818208_100000721315 [0,0,0,0,0,2|1,0,0]=3 6106 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100000741622_100009818208 [0,0,0,0,0,2|1,0,0]=3 6107 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100009818208_100000741622 [0,0,0,0,0,2|1,0,0]=3 6108 B14R1.818 CC(=O)OC(C)SCc1cccnn1 62a_100009818208_100016990269 [0,0,0,0,0,2|2,0,0]=4 6109 B14R1.818 CC(=O)OC(C)SCc1cccnn1 62a_100016990269_100009818208 [0,0,0,0,0,2|2,0,0]=4 6110 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100009818208_100015193705 [0,0,0,0,0,2|1,0,0]=3 6111 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100015193705_100009818208 [0,0,0,0,0,2|1,0,0]=3 6112 B14R1.818 CC(=O)OC(C)SCc1cnccn1 62a_100009818208_100016995436 [0,0,0,0,0,2|2,0,0]=4 6113 B14R1.818 CC(=O)OC(C)SCc1cnccn1 62a_100016995436_100009818208 [0,0,0,0,0,2|2,0,0]=4 6114 B14R1.818 CC(=O)OC(C)SCc1cncnc1 62a_100009818208_100015196519 [0,0,0,0,0,2|2,0,0]=4 6115 B14R1.818 CC(=O)OC(C)SCc1cncnc1 62a_100015196519_100009818208 [0,0,0,0,0,2|2,0,0]=4 6116 B14R1.818 CC(=O)OC(C)SCc1ncccn1 62a_100000703007_100009818208 [0,0,0,0,0,2|2,0,0]=4 6117 B14R1.818 CC(=O)OC(C)SCc1ncccn1 62a_100009818208_100000703007 [0,0,0,0,0,2|2,0,0]=4 6118 B14R1.818 CC(C)OC(C)C#Cc1ccccc1 34a_200000065209_100000210206 [0,0,0,0,0,2|1,0,1]=4 6119 B14R1.818 CC(C)OC(C)C#Cc1ccccc1 7a_200000065209_100000210206 [0,0,0,0,0,2|1,0,1]=4 6120 B14R1.818 CC(C)OC(C)COc1ccccc1 34a_100000210911_100000210206 [0,0,0,0,0,2|1,0,1]=4 6121 B14R1.818 CC(C)OC(C)COc1ccccc1 7a_100000210911_100000210206 [0,0,0,0,0,2|1,0,1]=4 6122 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100000210206 [0,0,0,0,0,2|1,0,1]=4 6123 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000210206 [0,0,0,0,0,2|1,0,1]=4