0 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.16 C#CCN(C)c1ccc(cc1)O 34a_100000182112_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.16 CN(CC#N)c1ccc(cc1)O 269982a_100000182112_100011214920 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,0,0,0,0,0|1,0,2]=3 84 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,0,0,0,0,0|1,0,2]=3 85 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,0,0,0,0,0|1,0,2]=3 86 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,0,0,0,0,0|1,0,2]=3 87 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,0,0,0,0,0|1,0,2]=3 88 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,0,0,0,0,0|1,0,2]=3 89 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,0,0,0,0,0|1,0,2]=3 90 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,0,0,0,0,0|1,0,2]=3 91 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,0,0,0,0,0|1,0,2]=3 92 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,0,0,0,0,0|0,0,2]=2 93 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,0,0,0,0,0|0,0,2]=2 94 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,0,0,0,0,0|1,0,0]=1 96 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,0,0,0,0,0|1,0,0]=1 97 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,0,0,0,0,0|1,0,0]=1 98 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,0,0,0,0,0|1,0,0]=1 99 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,0,0,0,0,0|1,0,0]=1 100 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,0,0,0,0,0|1,0,0]=1 101 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,0,0,0,0,0|1,0,0]=1 102 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,0,0,0,0,0|1,0,0]=1 103 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,0,0,0,0,0|1,0,0]=1 104 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,0,0,0,0,0|1,0,0]=1 105 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,0,0,0,0,0|0,0,0]=0 106 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,0,0,0,0,0|1,0,0]=1 107 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,0,0,0,0,0|1,0,0]=1 108 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,0,0,0,0,0|1,0,0]=1 109 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,0,0,0,0,0|2,0,2]=4 112 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,0,0,0,0,0|2,0,2]=4 114 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,0,0,0,0,0|1,0,2]=3 115 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,0,0,0,0,0|2,0,2]=4 116 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,0,0,0,0,0|2,0,2]=4 117 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,0,0,0,0,0|2,0,2]=4 118 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,0,0,0,0,0|2,0,2]=4 119 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,0,0,0,0,0|1,0,2]=3 120 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,0,0,0,0,0|1,0,2]=3 121 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,0,0,0,0,0|3,0,0]=3 123 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,0,0,0,0,0|2,0,0]=2 124 B12R1.16 COCN(C)c1ccc(cc1)Br 2230a_100000219623_100000766300 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.16 COCN(C)c1ccc(cc1)Br 269982a_100000219623_100000766300 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.16 COCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000766300 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.16 COCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000766300 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.16 COCN(C)c1ccc(cc1)F 2230a_100000219829_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.16 COCN(C)c1ccc(cc1)F 269982a_100000219829_100000766300 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.16 COCN(C)c1ccc(cc1)I 2230a_100000743151_100000766300 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.16 COCN(C)c1ccc(cc1)I 269982a_100000743151_100000766300 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [0,0,0,0,0,0|3,0,0]=3 135 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,0,0,0,0,0|3,0,0]=3 136 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,0,0,0,0,0|2,0,0]=2 138 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,0,0,0,0,0|2,0,2]=4 140 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,0,0,0,0,0|2,0,2]=4 144 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,0,0,0,0,0|2,0,2]=4 146 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,0,0,0,0,0|2,0,2]=4 147 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,0,0,0,0,0|1,0,2]=3 148 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,0,0,0,0,0|1,0,2]=3 149 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,0,0,0,0,0|2,0,0]=2 150 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,0,0,0,0,0|2,0,0]=2 151 B12R1.16 CSCN(C)c1ccc(cc1)Br 2230a_100000219623_100011218213 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.16 CSCN(C)c1ccc(cc1)Br 269982a_100000219623_100011218213 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.16 CSCN(C)c1ccc(cc1)Br 34a_100000219623_100011218213 [0,0,0,0,0,0|4,0,0]=4 154 B12R1.16 CSCN(C)c1ccc(cc1)C 2230a_100000219977_100011218213 [0,0,0,0,0,0|4,0,0]=4 155 B12R1.16 CSCN(C)c1ccc(cc1)C 269982a_100000219977_100011218213 [0,0,0,0,0,0|4,0,0]=4 156 B12R1.16 CSCN(C)c1ccc(cc1)C 34a_100000219977_100011218213 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.16 CSCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218213 [0,0,0,0,0,0|4,0,0]=4 158 B12R1.16 CSCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218213 [0,0,0,0,0,0|4,0,0]=4 159 B12R1.16 CSCN(C)c1ccc(cc1)Cl 34a_100020629279_100011218213 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.16 CSCN(C)c1ccc(cc1)F 2230a_100000219829_100011218213 [0,0,0,0,0,0|4,0,0]=4 161 B12R1.16 CSCN(C)c1ccc(cc1)F 269982a_100000219829_100011218213 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.16 CSCN(C)c1ccc(cc1)F 34a_100000219829_100011218213 [0,0,0,0,0,0|4,0,0]=4 163 B12R1.16 CSCN(C)c1ccc(cc1)I 2230a_100000743151_100011218213 [0,0,0,0,0,0|4,0,0]=4 164 B12R1.16 CSCN(C)c1ccc(cc1)I 269982a_100000743151_100011218213 [0,0,0,0,0,0|4,0,0]=4 165 B12R1.16 CSCN(C)c1ccc(cc1)I 34a_100000743151_100011218213 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.16 CSCN(C)c1ccc(cc1)O 269982a_100000182112_100011218213 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.16 CSCN(C)c1ccc(cc1)O 34a_100000182112_100011218213 [0,0,0,0,0,0|3,0,0]=3 168 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,0,0,0,0,0|2,0,0]=2 170 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,0,0,0,0,0|2,0,2]=4 171 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,0,0,0,0,0|2,0,2]=4 172 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,0,0,0,0,0|1,0,0]=1 173 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,0,0,0,0,0|1,0,0]=1 174 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,0,0,0,0,0|2,0,2]=4 176 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,0,0,0,0,0|2,0,2]=4 177 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,0,0,0,0,0|3,0,0]=3 178 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,0,0,0,0,0|2,0,2]=4 179 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,0,0,0,0,0|2,0,2]=4 180 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,0,0,0,0,0|1,0,0]=1 181 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,0,0,0,0,0|1,0,0]=1 182 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,0,0,0,0,0|1,0,0]=1 183 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,0,0,0,0,0|1,0,0]=1 184 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,0,0,0,0,0|0,0,0]=0 185 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,0,0,0,0,0|2,0,2]=4 186 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,0,0,0,0,0|2,0,2]=4 190 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,0,0,0,0,0|2,0,2]=4 191 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,0,0,0,0,0|2,0,2]=4 192 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,0,0,0,0,0|2,0,2]=4 193 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,0,0,0,0,0|2,0,2]=4 194 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,0,0,0,0,0|2,0,2]=4 195 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,0,0,0,0,0|2,0,2]=4 196 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,0,0,0,0,0|1,0,2]=3 197 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,0,0,0,0,0|1,0,2]=3 198 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,0,0,0,0,0|2,0,0]=2 199 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,0,0,0,0,0|2,0,0]=2 200 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,0,0,0,0,0|2,0,0]=2 201 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,0,0,0,0,0|2,0,0]=2 202 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,0,0,0,0,0|4,0,0]=4 203 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,0,0,0,0,0|4,0,0]=4 204 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,0,0,0,0,0|2,0,0]=3 212 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,0,0,0,0,0|2,0,0]=3 214 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,0,0,0,0,0|2,0,0]=3 215 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,0,0,0,0,0|2,0,0]=3 216 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,0,0,0,0,0|1,0,0]=2 218 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,0,0,0,0,0|2,0,0]=3 224 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,0,0,0,0,0|2,0,0]=3 249 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,0,0,0,0,0|3,0,0]=4 252 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,0,0,0,0,0|3,0,0]=4 257 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,0,0,0,0,0|3,0,0]=4 259 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,0,0,0,0,0|3,0,0]=4 260 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,0,0,0,0,0|2,0,0]=3 290 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,0,0,0,0,0|2,0,0]=3 291 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,0,0,0,0,0|3,0,0]=4 298 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,0,0,0,0,0|3,0,0]=4 314 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,0,0,0,0,0|3,0,0]=4 318 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,0,0,0,0,0|1,0,0]=2 321 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,0,0,0,0,0|1,0,0]=2 322 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,0,0,0,0,0|1,0,0]=2 323 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,0,0,0,0,0|1,0,0]=2 324 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,0,0,0,0,0|1,0,0]=2 325 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,0,0,0,0,0|1,0,0]=2 326 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,0,0,0,0,0|1,0,0]=2 327 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,0,0,0,0,0|1,0,0]=2 328 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,0,0,0,0,0|1,0,0]=2 329 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,0,0,0,0,0|1,0,0]=2 330 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,0,0,0,0,0|1,0,0]=2 331 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,0,0,0,0,0|1,0,0]=2 332 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,0,0,0,0,0|1,0,0]=2 333 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,0,0,0,0,0|1,0,0]=2 334 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,0,0,0,0,0|1,0,0]=2 335 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,0,0,0,0,0|1,0,0]=2 336 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,0,0,0,0,0|1,0,0]=2 337 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,0,0,0,0,0|1,0,0]=2 338 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,0,0,0,0,0|1,0,0]=2 339 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,0,0,0,0,0|1,0,0]=2 340 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,0,0,0,0,0|0,0,0]=1 341 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,0,0,0,0,0|0,0,0]=1 342 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,0,0,0,0,0|0,0,0]=1 343 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,0,0,0,0,0|0,0,0]=1 344 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,0,0,0,0,0|1,0,2]=4 345 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,0,0,0,0,0|2,0,0]=3 347 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,0,0,0,0,0|2,0,0]=3 350 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,0,0,0,0,0|2,0,0]=3 352 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,0,0,0,0,0|2,0,0]=3 353 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,0,0,0,0,0|2,0,0]=3 356 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,0,0,0,0,0|1,0,0]=2 361 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,0,0,0,0,0|3,0,0]=4 374 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,0,0,0,0,0|2,0,0]=3 380 B11R1.1 COCSc1ccc(cn1)O 62a_100000685995_100000766300 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.1 COCSc1ccc(cn1)O 62a_100000766300_100000744096 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,0,0,0,0,0|2,0,0]=3 383 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,0,0,0,0,0|2,0,0]=3 384 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,0,0,0,0,0|2,0,0]=3 385 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,0,0,0,0,0|2,0,0]=3 386 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,0,0,0,0,0|2,0,0]=3 387 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,0,0,0,0,0|2,0,0]=3 388 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,0,0,0,0,0|2,0,0]=3 390 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,0,0,0,0,0|1,0,0]=2 391 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,0,0,0,0,0|1,0,0]=2 392 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,0,0,0,0,0|2,0,0]=3 400 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,0,0,0,0,0|3,0,0]=4 406 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,0,0,0,0,0|3,0,0]=4 408 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,0,0,0,0,0|2,0,0]=3 417 B11R1.1 CSCSc1ccc(cn1)O 62a_100000685995_100011218213 [1,0,0,0,0,0|3,0,0]=4 418 B11R1.1 CSCSc1ccc(cn1)O 62a_100011218213_100000744096 [1,0,0,0,0,0|3,0,0]=4 419 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,0,0,0,0,0|1,0,0]=2 420 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,0,0,0,0,0|1,0,0]=2 421 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,0,0,0,0,0|2,0,0]=3 425 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,0,0,0,0,0|2,0,0]=3 427 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,0,0,0,0,0|3,0,0]=4 428 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [1,0,0,0,0,0|3,0,0]=4 429 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [1,0,0,0,0,0|3,0,0]=4 430 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,0,0,0,0,0|2,0,0]=3 431 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,0,0,0,0,0|3,0,0]=4 432 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,0,0,0,0,0|3,0,0]=4 433 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,0,0,0,0,0|2,0,0]=3 434 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,0,0,0,0,0|3,0,0]=4 435 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,0,0,0,0,0|3,0,0]=4 436 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,0,0,0,0,0|2,0,0]=3 437 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,0,0,0,0,0|3,0,0]=4 441 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,0,0,0,0,0|1,0,0]=2 445 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,0,0,0,0,0|1,0,0]=2 446 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,0,0,0,0,0|1,0,0]=2 447 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,0,0,0,0,0|1,0,0]=2 448 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,0,0,0,0,0|1,0,0]=2 449 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,0,0,0,0,0|1,0,0]=2 450 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,0,0,0,0,0|0,0,0]=1 451 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,0,0,0,0,0|2,0,0]=3 452 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,0,0,0,0,0|2,0,0]=3 453 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,0,0,0,0,0|2,0,0]=3 454 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,0,0,0,0,0|2,0,0]=3 455 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,0,0,0,0,0|2,0,0]=3 456 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,0,0,0,0,0|2,0,0]=3 457 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,0,0,0,0,0|2,0,0]=3 458 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,0,0,0,0,0|2,0,0]=3 459 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,0,0,0,0,0|2,0,0]=3 460 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,0,0,0,0,0|3,0,0]=4 462 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,0,0,0,0,0|3,0,0]=4 463 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,0,0,0,0,0|2,0,0]=3 464 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,0,0,0,0,0|2,0,0]=3 465 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,0,0,0,0,0|2,0,0]=3 466 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,0,0,0,0,0|2,0,0]=3 467 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,0,0,0,0,0|2,0,0]=3 468 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,0,0,0,0,0|2,0,0]=3 469 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,0,0,0,0,0|1,0,0]=2 470 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,0,0,0,0,0|1,0,0]=2 471 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 472 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,0,0,0,0|1,0,0]=2 473 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 474 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,0,0,0,0|2,0,0]=3 475 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,0,0,0,0|2,0,0]=3 477 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,0,0,0,0,0|1,0,2]=4 478 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 481 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,0,0,0,0|3,0,0]=4 483 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,0,0,0,0|3,0,0]=4 484 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 485 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 486 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,0,0,0,0|3,0,0]=4 487 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,0,0,0,0|3,0,0]=4 488 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,0,0,0,0|3,0,0]=4 489 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,0,0,0,0|3,0,0]=4 490 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,0,0,0,0|3,0,0]=4 491 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,0,0,0,0|3,0,0]=4 495 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,0,0,0,0,0|0,0,2]=3 496 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,0,0,0,0,0|1,0,2]=4 497 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,0,0,0,0,0|1,0,2]=4 498 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,0,0,0,0,0|1,0,2]=4 499 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 500 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 501 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,0,0,0,0|1,0,0]=2 502 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,0,0,0,0|1,0,0]=2 503 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,0,0,0,0|1,0,0]=2 504 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,0,0,0,0|1,0,0]=2 505 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,0,0,0,0|0,0,0]=1 506 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 507 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,0,0,0,0|0,0,0]=1 508 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,0,0,0,0|0,0,0]=1 509 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,0,0,0,0,0|1,0,0]=2 510 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,0,0,0,0|1,0,0]=2 511 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 512 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,0,0,0,0|0,0,0]=1 513 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,0,0,0,0|0,0,0]=1 514 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,0,0,0,0,0|1,0,2]=4 515 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 516 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,0,0,0,0|2,0,0]=3 517 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,0,0,0,0|2,0,0]=3 518 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,0,0,0,0|1,0,0]=2 519 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 520 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,0,0,0,0,0|3,0,0]=4 521 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,0,0,0,0|2,0,0]=3 522 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,0,0,0,0,0|3,0,0]=4 523 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,0,0,0,0|1,0,0]=2 524 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,0,0,0,0,0|1,0,2]=4 525 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,0,0,0,0,0|1,0,2]=4 526 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,0,0,0,0|2,0,0]=3 527 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,0,0,0,0|2,0,0]=3 528 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,0,0,0,0|1,0,0]=2 529 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,0,0,0,0|1,0,0]=2 530 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 532 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,0,0,0,0,0|2,0,1]=4 534 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,0,0,0,0|1,0,0]=2 535 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,0,0,0,0|1,0,0]=2 536 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,0,0,0,0|0,0,0]=1 537 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,0,0,0,0,0|1,0,0]=2 538 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,0,0,0,0|1,0,0]=2 539 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,0,0,0,0|2,0,0]=3 540 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,0,0,0,0,0|1,0,2]=4 542 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,0,0,0,0,0|1,0,2]=4 543 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,0,0,0,0|1,0,0]=2 544 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,0,0,0,0|1,0,0]=2 545 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,0,0,0,0,0|2,0,1]=4 546 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,0,0,0,0|1,0,0]=2 547 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,0,0,0,0|1,0,0]=2 548 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,0,0,0,0,0|1,0,2]=4 549 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [1,0,0,0,0,0|3,0,0]=4 550 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,0,0,0,0,0|3,0,0]=4 551 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,0,0,0,0,0|3,0,0]=4 552 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,0,0,0,0,0|3,0,0]=4 553 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,0,0,0,0,0|3,0,0]=4 554 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,0,0,0,0,0|3,0,0]=4 555 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,0,0,0,0,0|3,0,0]=4 556 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,0,0,0,0,0|3,0,0]=4 557 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,0,0,0,0,0|3,0,0]=4 558 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,0,0,0,0,0|3,0,0]=4 559 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,0,0,0,0,0|3,0,0]=4 560 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,0,0,0,0,0|3,0,0]=4 561 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,0,0,0,0,0|1,0,2]=4 562 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,0,0,0,0,0|1,0,2]=4 563 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,0,0,0,0,0|1,0,2]=4 564 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,0,0,0,0,0|1,0,2]=4 565 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,0,0,0,0,0|1,0,2]=4 566 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,0,0,0,0,0|0,0,2]=3 567 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,0,0,0,0,0|0,0,2]=3 568 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,0,0,0,0,0|1,0,2]=4 569 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,0,0,0,0,0|1,0,0]=2 570 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,0,0,0,0,0|0,0,0]=1 571 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,0,0,0,0,0|3,0,0]=4 572 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,0,0,0,0,0|3,0,0]=4 573 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,0,0,0,0,0|3,0,0]=4 574 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,0,0,0,0,0|3,0,0]=4 577 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,0,0,0,0,0|3,0,0]=4 578 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 579 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,0,0,0,0,0|3,0,0]=4 580 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 581 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,0,0,0,0,0|3,0,0]=4 582 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,0,0,0,0,0|3,0,0]=4 583 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,0,0,0,0,0|3,0,0]=4 584 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,0,0,0,0,0|3,0,0]=4 585 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,0,0,0,0,0|3,0,0]=4 586 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,0,0,0,0,0|3,0,0]=4 587 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,0,0,0,0,0|3,0,0]=4 588 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,0,0,0,0,0|3,0,0]=4 589 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,0,0,0,0,0|3,0,0]=4 590 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,0,0,0,0,0|3,0,0]=4 591 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,0,0,0,0,0|3,0,0]=4 592 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,0,0,0,0,0|3,0,0]=4 593 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,0,0,0,0,0|3,0,0]=4 594 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,0,0,0,0,0|3,0,0]=4 595 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,0,0,0,0,0|3,0,0]=4 598 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,0,0,0,0,0|2,0,0]=3 599 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,0,0,0,0,0|2,0,0]=3 600 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,0,0,0,0,0|2,0,0]=3 601 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,0,0,0,0,0|2,0,0]=3 602 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,0,0,0,0,0|3,0,0]=4 604 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,0,0,0,0,0|3,0,0]=4 605 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 608 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,0,0,0,0,0|3,0,0]=4 609 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,0,0,0,0,0|3,0,0]=4 610 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,0,0,0,0,0|3,0,0]=4 611 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,0,0,0,0,0|3,0,0]=4 612 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,0,0,0,0,0|3,0,0]=4 613 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,0,0,0,0,0|3,0,0]=4 614 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,0,0,0,0,0|3,0,0]=4 615 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,0,0,0,0,0|2,0,0]=3 616 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,0,0,0,0,0|2,0,0]=3 617 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,0,0,0,0,0|2,0,0]=3 618 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,0,0,0,0,0|1,0,0]=2 619 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,0,0,0,0,0|3,0,0]=4 621 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,0,0,0,0,0|1,0,2]=4 622 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,0,0,0,0,0|1,0,2]=4 623 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,0,0,0,0,0|1,0,2]=4 624 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,0,0,0,0,0|1,0,2]=4 625 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,0,0,0,0,0|1,0,2]=4 626 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,0,0,0,0,0|1,0,2]=4 627 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,0,0,0,0,0|1,0,2]=4 628 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,0,0,0,0,0|1,0,2]=4 629 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,0,0,0,0,0|1,0,2]=4 630 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,0,0,0,0,0|1,0,2]=4 631 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,0,0,0,0,0|1,0,2]=4 632 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,0,0,0,0,0|1,0,2]=4 633 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,0,0,0,0,0|1,0,2]=4 634 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,0,0,0,0,0|1,0,2]=4 635 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,0,0,0,0,0|1,0,2]=4 636 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,0,0,0,0,0|1,0,2]=4 637 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,0,0,0,0,0|1,0,2]=4 638 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,0,0,0,0,0|1,0,2]=4 639 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,0,0,0,0,0|1,0,2]=4 640 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,0,0,0,0,0|1,0,2]=4 641 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,0,0,0,0,0|0,0,2]=3 642 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,0,0,0,0,0|0,0,2]=3 643 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,0,0,0,0,0|0,0,2]=3 644 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,0,0,0,0,0|1,0,2]=4 645 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,0,0,0,0,0|1,0,2]=4 646 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [1,0,0,0,0,0|2,0,1]=4 647 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,0,0,0,0,0|2,0,0]=3 648 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,0,0,0,0,0|2,0,0]=3 649 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,0,0,0,0,0|2,0,0]=3 650 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,0,0,0,0,0|2,0,0]=3 651 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,0,0,0,0,0|2,0,0]=3 652 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,0,0,0,0,0|2,0,0]=3 653 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,0,0,0,0,0|2,0,0]=3 654 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,0,0,0,0,0|2,0,0]=3 655 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,0,0,0,0,0|2,0,0]=3 656 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,0,0,0,0,0|2,0,0]=3 657 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,0,0,0,0,0|2,0,0]=3 658 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,0,0,0,0,0|2,0,0]=3 659 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,0,0,0,0,0|2,0,0]=3 660 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,0,0,0,0,0|2,0,0]=3 661 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,0,0,0,0,0|2,0,0]=3 662 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,0,0,0,0,0|1,0,0]=2 663 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,0,0,0,0,0|3,0,0]=4 668 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [1,0,0,0,0,0|3,0,0]=4 669 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [1,0,0,0,0,0|3,0,0]=4 670 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [1,0,0,0,0,0|3,0,0]=4 671 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [1,0,0,0,0,0|3,0,0]=4 672 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [1,0,0,0,0,0|3,0,0]=4 673 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,0,0,0,0,0|3,0,0]=4 674 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,0,0,0,0,0|3,0,0]=4 675 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,0,0,0,0,0|3,0,0]=4 676 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [1,0,0,0,0,0|3,0,0]=4 677 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [1,0,0,0,0,0|3,0,0]=4 678 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,0,0,0,0,0|2,0,0]=3 679 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,0,0,0,0,0|2,0,0]=3 680 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,0,0,0,0,0|2,0,0]=3 681 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,0,0,0,0,0|1,0,0]=2 682 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [1,0,0,0,0,0|3,0,0]=4 683 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,0,0,0,0,0|2,0,0]=3 684 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,0,0,0,0,0|2,0,0]=3 685 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,0,0,0,0,0|2,0,0]=3 686 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,0,0,0,0,0|2,0,0]=3 687 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,0,0,0,0,0|2,0,0]=3 688 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,0,0,0,0,0|1,0,2]=4 689 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,0,0,0,0,0|3,0,0]=4 690 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,0,0,0,0,0|3,0,0]=4 691 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,0,0,0,0,0|3,0,0]=4 692 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,0,0,0,0,0|3,0,0]=4 693 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,0,0,0,0,0|3,0,0]=4 694 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,0,0,0,0,0|3,0,0]=4 695 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,0,0,0,0,0|3,0,0]=4 696 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,0,0,0,0,0|3,0,0]=4 697 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,0,0,0,0,0|2,0,0]=3 698 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,0,0,0,0,0|3,0,0]=4 699 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,0,0,0,0,0|3,0,0]=4 700 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,0,0,0,0,0|3,0,0]=4 701 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,0,0,0,0,0|3,0,0]=4 702 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,0,0,0,0,0|3,0,0]=4 703 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,0,0,0,0,0|3,0,0]=4 704 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,0,0,0,0,0|3,0,0]=4 705 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,0,0,0,0,0|3,0,0]=4 706 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,0,0,0,0,0|3,0,0]=4 707 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,0,0,0,0,0|3,0,0]=4 708 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,0,0,0,0,0|3,0,0]=4 709 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,0,0,0,0,0|3,0,0]=4 710 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,0,0,0,0,0|2,0,0]=3 711 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,0,0,0,0,0|2,0,0]=3 712 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,0,0,0,0,0|2,0,0]=3 713 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,0,0,0,0,0|2,0,0]=3 714 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,0,0,0,0,0|2,0,0]=3 715 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,0,0,0,0,0|2,0,0]=3 716 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,0,0,0,0,0|1,0,0]=2 717 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [1,0,0,0,0,0|3,0,0]=4 718 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,0,0,0,0,0|3,0,0]=4 719 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,0,0,0,0,0|3,0,0]=4 720 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,0,0,0,0,0|3,0,0]=4 721 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,0,0,0,0,0|3,0,0]=4 722 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,0,0,0,0,0|2,0,0]=3 723 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,0,0,0,0,0|2,0,0]=3 724 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,0,0,0,0,0|3,0,0]=4 725 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,0,0,0,0,0|3,0,0]=4 726 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,0,0,0,0,0|3,0,0]=4 727 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,0,0,0,0,0|3,0,0]=4 728 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,0,0,0,0,0|1,0,2]=4 729 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,0,0,0,0,0|2,0,0]=3 730 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,0,0,0,0,0|0,0,2]=3 731 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,0,0,0,0,0|0,0,0]=1 732 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,0,0,0,0,0|1,0,2]=4 733 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,0,0,0,0,0|1,0,2]=4 734 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,0,0,0,0,0|1,0,2]=4 735 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,0,0,0,0,0|1,0,0]=2 736 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,0,0,0,0,0|3,0,0]=4 737 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,0,0,0,0,0|3,0,0]=4 738 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,0,0,0,0,0|3,0,0]=4 739 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,0,0,0,0,0|3,0,0]=4 740 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,1,0,0,0,0|2,0,1]=4 745 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,1,0,0,0,0|2,0,0]=3 754 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,1,0,0,0,0|2,0,0]=3 755 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.1 CCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210303 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.1 CCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210303 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.1 CCCN(CC)c1ccc(cc1)O 34a_100011337800_100000210303 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,1,0,0,0,0|3,0,0]=4 763 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.1 CCN(COC)c1ccc(cc1)O 2230a_100011337800_100000766300 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.1 CCN(COC)c1ccc(cc1)O 269982a_100011337800_100000766300 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.1 CCN(CSC)c1ccc(cc1)O 2230a_100011337800_100011218213 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.1 CCN(CSC)c1ccc(cc1)O 269982a_100011337800_100011218213 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.1 CCN(CSC)c1ccc(cc1)O 34a_100011337800_100011218213 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.1 CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210202 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.1 CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210202 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.1 CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.1 CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210202 [0,1,0,0,0,0|3,0,0]=4 776 B13R1.1 CCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210202 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210202 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210202 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210202 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.1 CNC(COC)c1ccc(cc1)Br 269862a_106832991636_200011343064 [0,1,0,0,0,0|3,0,0]=4 782 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000038162 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)O 1458a_100000212099_100102629194 [0,1,0,0,0,0|1,0,2]=4 784 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 269982a_100000182112_100102629194 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 34a_100000182112_100102629194 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,1,0,0,0,0|1,0,1]=3 787 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210623 [0,1,0,0,0,0|2,0,1]=4 788 B13R1.17 CC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000748600 [0,1,0,0,0,0|1,0,2]=4 789 B13R1.17 CC#CCN(C)c1ccc(cc1)O 34a_100000182112_100000748600 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [0,1,0,0,0,0|1,0,0]=2 791 B13R1.17 CC=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000070051 [0,1,0,0,0,0|1,0,2]=4 792 B13R1.17 CC=CCN(C)c1ccc(cc1)O 34a_100000182112_100000070051 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,1,0,0,0,0|1,0,2]=4 794 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,1,0,0,0,0|1,0,2]=4 795 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,1,0,0,0,0|2,0,1]=4 798 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [0,1,0,0,0,0|1,0,2]=4 799 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [0,1,0,0,0,0|1,0,2]=4 800 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [0,1,0,0,0,0|1,0,2]=4 801 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,1,0,0,0,0|3,0,0]=4 802 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,1,0,0,0,0|3,0,0]=4 807 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,1,0,0,0,0|3,0,0]=4 808 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,1,0,0,0,0|3,0,0]=4 809 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,1,0,0,0,0|3,0,0]=4 811 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,1,0,0,0,0|3,0,0]=4 812 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,1,0,0,0,0|3,0,0]=4 816 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,1,0,0,0,0|3,0,0]=4 822 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.17 CCNCC(=O)c1ccc(cc1)C 2230a_100015525214_100000211441 [0,1,0,0,0,0|1,0,2]=4 836 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [0,1,0,0,0,0|1,0,0]=2 837 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,1,0,0,0,0|1,0,0]=2 838 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,1,0,0,0,0|1,0,0]=2 839 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,1,0,0,0,0|1,0,0]=2 840 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,1,0,0,0,0|1,0,0]=2 841 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,1,0,0,0,0|1,0,0]=2 842 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,1,0,0,0,0|1,0,0]=2 843 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,1,0,0,0,0|1,0,0]=2 844 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,1,0,0,0,0|0,0,0]=1 845 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,1,0,0,0,0|1,0,0]=2 846 B13R1.17 CCNN=C(C)c1ccc(cc1)O 4a_100000756455_100000185113 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.17 CCNNC(=O)c1ccc(cc1)O 22a_100000756455_100000212099 [0,1,0,0,0,0|1,0,2]=4 848 B13R1.17 CCOCC(=O)c1ccc(cc1)O 34a_100121572206_100009814261 [0,1,0,0,0,0|1,0,2]=4 849 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,1,0,0,0,0|2,0,0]=3 852 B13R1.17 CCOCN(C)c1ccc(cc1)O 269982a_100000182112_100000739092 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,1,0,0,0,0|3,0,0]=4 854 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,1,0,0,0,0|2,0,0]=3 856 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100000210202_100009814261 [0,1,0,0,0,0|1,0,2]=4 857 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210202 [0,1,0,0,0,0|1,0,2]=4 858 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,1,0,0,0,0|2,0,0]=3 859 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,1,0,0,0,0|2,0,0]=3 860 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,1,0,0,0,0|2,0,0]=3 861 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,1,0,0,0,0|2,0,0]=3 862 B13R1.17 CN(CCCF)c1ccc(cc1)O 269982a_100000182112_100011934791 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.17 CN(CCCF)c1ccc(cc1)O 34a_100000182112_100011934791 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.17 CN(CCCO)c1ccc(cc1)O 269982a_100000182112_100011215043 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.17 CN(CCCO)c1ccc(cc1)O 34a_100000182112_100000230001 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.17 CNCCC(=O)c1ccc(cc1)Br 7a_106832991635_100011215963 [0,1,0,0,0,0|1,0,2]=4 867 B13R1.17 CNCCC(=O)c1ccc(cc1)C 2230a_106832991635_100000701375 [0,1,0,0,0,0|1,0,2]=4 868 B13R1.17 CNCCC(=O)c1ccc(cc1)C 7a_106832991635_100000701375 [0,1,0,0,0,0|1,0,2]=4 869 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,1,0,0,0,0|1,0,2]=4 870 B13R1.17 CNCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211231 [0,1,0,0,0,0|1,0,2]=4 871 B13R1.17 CNCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211231 [0,1,0,0,0,0|1,0,2]=4 872 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [0,1,0,0,0,0|0,0,2]=3 873 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [0,1,0,0,0,0|0,0,2]=3 874 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [0,1,0,0,0,0|1,0,2]=4 875 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.17 COCCN(C)c1ccc(cc1)O 269982a_100000182112_100000233755 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.17 COCCN(C)c1ccc(cc1)O 34a_100000182112_100011201679 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.17 COCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000766300 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.17 COCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000766300 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.17 COCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766300 [0,1,0,0,0,0|2,0,0]=3 885 B13R1.17 COCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000766300 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.17 COCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000766300 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.17 COCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000766300 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.17 COCSC(C)c1ccc(cc1)Br 62a_100000755118_100000766300 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.17 COCSC(C)c1ccc(cc1)Br 62a_100000766300_100000755118 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100000766300_100011261388 [0,1,0,0,0,0|3,0,0]=4 891 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100011261388_100000766300 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000766300 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000766300_100000684792 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.17 COCSC(C)c1ccc(cc1)F 62a_100000743420_100000766300 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.17 COCSC(C)c1ccc(cc1)F 62a_100000766300_100000743420 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.17 CSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000751147 [0,1,0,0,0,0|1,0,2]=4 897 B13R1.17 CSCCC(=O)c1ccc(cc1)O 62a_200000210301_100009879949 [0,1,0,0,0,0|1,0,2]=4 898 B13R1.17 CSCCN(C)c1ccc(cc1)O 269982a_100000182112_100000212216 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.17 CSCCN(C)c1ccc(cc1)O 34a_100000182112_100000212216 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011218213 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011218213 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011218213 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218213 [0,1,0,0,0,0|2,0,0]=3 904 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011218213 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011218213 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011218213 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218213 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218213 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.17 CSCOC(C)c1ccc(cc1)Br 34a_100000745893_100011218213 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.17 CSCOC(C)c1ccc(cc1)F 34a_100000181323_100011218213 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.17 CSCOC(C)c1ccc(cc1)N 34a_100011216399_100011218213 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,1,0,0,0,0|3,0,0]=4 914 B13R1.17 CSCSC(C)c1ccc(cc1)Br 62a_100000755118_100011218213 [0,1,0,0,0,0|3,0,0]=4 915 B13R1.17 CSCSC(C)c1ccc(cc1)Br 62a_100011218213_100000755118 [0,1,0,0,0,0|3,0,0]=4 916 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011218213_100011261388 [0,1,0,0,0,0|3,0,0]=4 917 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011261388_100011218213 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.17 CSCSC(C)c1ccc(cc1)Cl 62a_100000684792_100011218213 [0,1,0,0,0,0|3,0,0]=4 919 B13R1.17 CSCSC(C)c1ccc(cc1)Cl 62a_100011218213_100000684792 [0,1,0,0,0,0|3,0,0]=4 920 B13R1.17 CSCSC(C)c1ccc(cc1)F 62a_100000743420_100011218213 [0,1,0,0,0,0|3,0,0]=4 921 B13R1.17 CSCSC(C)c1ccc(cc1)F 62a_100011218213_100000743420 [0,1,0,0,0,0|3,0,0]=4 922 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)O 2230a_100161106496_100011215382 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)O 2230a_100161106496_200015260668 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [0,1,0,0,0,0|3,0,0]=4 925 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,1,0,0,0,0|3,0,0]=4 926 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [0,1,0,0,0,0|1,0,0]=2 928 B13R1.17 Cc1ccc(cc1)[C@@H](N)COCF 34a_100009818840_100015361967 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.17 NC(COCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.17 NC(COCF)c1ccc(cc1)F 34a_100000705410_100015361967 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.17 N[C@H](COCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [0,1,0,0,0,0|1,0,2]=4 933 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,1,0,0,0,0|1,0,2]=4 934 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100009814261_100015361967 [0,1,0,0,0,0|1,0,2]=4 935 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100015361967_100009814261 [0,1,0,0,0,0|1,0,2]=4 936 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [0,1,0,0,0,0|1,0,0]=2 937 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,1,0,0,0,0|1,0,0]=2 938 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [0,1,0,0,0,0|2,0,0]=3 939 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [0,1,0,0,0,0|2,0,0]=3 940 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100000720402_100015361967 [0,1,0,0,0,0|2,0,0]=3 941 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100015361967_100000720402 [0,1,0,0,0,0|2,0,0]=3 942 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [0,1,0,0,0,0|0,0,0]=1 943 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)O 62a_200025704644_100009879949 [0,1,0,0,0,0|1,0,2]=4 948 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,1,0,0,0,0|3,0,0]=4 949 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,1,0,0,0,0|3,0,0]=4 950 B13R1.17 [2H]C(OCSC)c1ccc(cc1)F 34a_217856618577_100011218213 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200010205864_200025704644 [0,1,0,0,0,0|1,0,2]=4 952 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200025704644_200010205864 [0,1,0,0,0,0|1,0,2]=4 953 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,1,0,0,0,0|1,0,1]=3 957 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.21 CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000758301 [0,1,0,0,0,0|1,0,2]=4 960 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000758301 [0,1,0,0,0,0|3,0,0]=4 961 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100011215416 [0,1,0,0,0,0|3,0,0]=4 962 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,1,0,0,0,0|1,0,1]=3 975 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,1,0,0,0,0|1,0,1]=3 980 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,1,0,0,0,0|1,0,1]=3 981 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,1,0,0,0,0|0,0,1]=2 982 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,1,0,0,0,0|1,0,1]=3 983 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,1,0,0,0,0|1,0,1]=3 984 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,1,0,0,0,0|1,0,2]=4 985 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,1,0,0,0,0|1,0,2]=4 986 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,1,0,0,0,0|1,0,2]=4 987 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,1,0,0,0,0|1,0,2]=4 988 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,1,0,0,0,0|1,0,2]=4 989 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,1,0,0,0,0|1,0,2]=4 990 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,1,0,0,0,0|1,0,2]=4 991 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,1,0,0,0,0|1,0,2]=4 992 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,1,0,0,0,0|1,0,2]=4 993 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,1,0,0,0,0|1,0,2]=4 994 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,1,0,0,0,0|1,0,2]=4 995 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,1,0,0,0,0|0,0,2]=3 996 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,1,0,0,0,0|0,0,2]=3 997 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,1,0,0,0,0|0,0,2]=3 998 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,1,0,0,0,0|1,0,0]=2 999 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,1,0,0,0,0|1,0,0]=2 1000 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.21 COC(C)C(=O)c1ccc(cc1)O 34a_100138415774_200010205864 [0,1,0,0,0,0|1,0,2]=4 1002 B13R1.21 COC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100009879195 [0,1,0,0,0,0|3,0,0]=4 1003 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200000210301_200010205864 [0,1,0,0,0,0|1,0,2]=4 1004 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_200000210301 [0,1,0,0,0,0|1,0,2]=4 1005 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,1,0,0,0,0|1,0,0]=2 1006 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,1,0,0,0,0|1,0,0]=2 1007 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.29 CC(C)(CN[13CH3])c1ccc(cc1)Cl 2230a_100000742012_200025704644 [0,1,0,0,0,0|2,0,0]=3 1009 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)Cl 34a_100000068334_200025704644 [0,1,0,0,0,0|3,0,0]=4 1010 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)Cl 7a_100000068334_200025704644 [0,1,0,0,0,0|3,0,0]=4 1011 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)N 34a_103496529068_200025704644 [0,1,0,0,0,0|3,0,0]=4 1012 B13R1.29 CCCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200010264448 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.29 CNCC(C)(C)c1ccc(cc1)Br 270004a_106832991635_100010228009 [0,1,0,0,0,0|2,0,0]=3 1014 B13R1.29 CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_200000210301 [0,1,0,0,0,0|2,0,0]=3 1015 B13R1.29 CNCC(F)(F)c1ccc(cc1)Br 34a_100102657272_100010185546 [0,1,0,0,0,0|2,0,0]=3 1016 B13R1.29 CNCS(=O)(=O)c1ccc(cc1)C 34a_100102657272_100000183660 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.29 COCC(C)(C)c1ccc(cc1)Cl 34a_100000068334_200000210301 [0,1,0,0,0,0|3,0,0]=4 1018 B13R1.29 COCC(C)(C)c1ccc(cc1)Cl 7a_100000068334_200000210301 [0,1,0,0,0,0|3,0,0]=4 1019 B13R1.29 COCC(C)(C)c1ccc(cc1)N 34a_103496529068_200000210301 [0,1,0,0,0,0|3,0,0]=4 1020 B13R1.29 COCC(F)(F)c1ccc(cc1)Br 34a_100138415774_100010185546 [0,1,0,0,0,0|3,0,0]=4 1021 B13R1.29 CSCC(F)(F)c1ccc(cc1)Br 62a_100010185546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1022 B13R1.29 CSCC(F)(F)c1ccc(cc1)Br 62a_200000210301_100010185546 [0,1,0,0,0,0|3,0,0]=4 1023 B13R1.29 [13CH3]SCC(F)(F)c1ccc(cc1)Br 62a_100010185546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B13R1.29 [13CH3]SCC(F)(F)c1ccc(cc1)Br 62a_200025704644_100010185546 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,0,0,0,0|1,0,2]=4 1026 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000748629 [0,1,0,0,0,0|3,0,0]=4 1027 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000748629 [0,1,0,0,0,0|3,0,0]=4 1028 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,0|1,0,2]=4 1029 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,0|1,0,2]=4 1030 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1031 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,0,0|2,0,0]=3 1032 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,0,0|2,0,0]=3 1033 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,1,0,0,0,0|3,0,0]=4 1034 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,1,0,0,0,0|3,0,0]=4 1035 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [0,1,0,0,0,0|1,0,2]=4 1036 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000210624 [0,1,0,0,0,0|3,0,0]=4 1037 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000210624 [0,1,0,0,0,0|3,0,0]=4 1038 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,1,0,0,0,0|3,0,0]=4 1039 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,1,0,0,0,0|3,0,0]=4 1040 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,1,0,0,0,0|3,0,0]=4 1041 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,1,0,0,0,0|3,0,0]=4 1042 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,1,0,0,0,0|2,0,0]=3 1043 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)O 271570a_100015190218_100000685995 [0,1,0,0,0,0|3,0,0]=4 1044 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,1,0,0,0,0|3,0,0]=4 1045 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,1,0,0,0,0|1,0,2]=4 1046 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [0,1,0,0,0,0|3,0,0]=4 1047 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Br 269982a_100102631434_100000188085 [0,1,0,0,0,0|1,0,2]=4 1049 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Cl 269982a_100102631434_100000211071 [0,1,0,0,0,0|1,0,2]=4 1050 B13R1.132 CN(C)CC(=O)c1ccc(cc1)F 269982a_100102631434_100000211279 [0,1,0,0,0,0|1,0,2]=4 1051 B13R1.132 CN(C)CC(=O)c1ccc(cc1)I 269982a_100102631434_100011216261 [0,1,0,0,0,0|1,0,2]=4 1052 B13R1.132 CN(C)CC(=O)c1ccc(cc1)O 269982a_100102631434_100009814261 [0,1,0,0,0,0|0,0,2]=3 1053 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,1,0,0,0,0|1,0,0]=2 1054 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,1,0,0,0,0|0,0,0]=1 1055 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,1,0,0,0,0|0,0,0]=1 1056 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,1,0,0,0,0|1,0,0]=2 1057 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,1,0,0,0,0|0,0,0]=1 1058 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,1,0,0,0,0|0,0,0]=1 1059 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [0,1,0,0,0,0|3,0,0]=4 1060 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [0,1,0,0,0,0|3,0,0]=4 1061 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000211441 [0,1,0,0,0,0|1,0,2]=4 1062 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000211441 [0,1,0,0,0,0|1,0,2]=4 1063 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1064 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,1,0,0,0,0|3,0,0]=4 1065 B13R1.452 C=CCC(O)c1ccc(cc1)C=C 271570a_100011290941_100011466436 [0,1,0,0,0,0|2,0,1]=4 1066 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,1,0,0,0,0|1,1,1]=4 1067 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,1,0,0,0,0|1,1,1]=4 1068 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,1,0,0,0,0|1,1,1]=4 1069 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,1,0,0,0,0|1,1,1]=4 1070 B13R1.452 C=Cc1ccc(cc1)C(O)CCC 271570a_100011290941_100011350873 [0,1,0,0,0,0|2,0,0]=3 1071 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,1,0,0,0,0|1,0,2]=4 1072 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,1,0,0,0,0|1,0,2]=4 1073 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,1,0,0,0,0|1,0,2]=4 1074 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,1,0,0,0,0|1,0,2]=4 1075 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,1,0,0,0,0|1,0,2]=4 1076 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,1,0,0,0,0|1,0,2]=4 1077 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_100011350873_200000210301 [0,1,0,0,0,0|1,1,0]=3 1078 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_200000210301_100011350873 [0,1,0,0,0,0|1,1,0]=3 1079 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_100011350873_200025704644 [0,1,0,0,0,0|1,1,0]=3 1080 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011350873 [0,1,0,0,0,0|1,1,0]=3 1081 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1082 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1083 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,1,0,0,0,0|3,0,0]=4 1084 B13R1.452 CCNC(C)c1ccc(cc1)CO 269862a_100015525214_100000082505 [0,1,0,0,0,0|3,0,0]=4 1085 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,1,0,0,0,0|3,0,0]=4 1086 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,1,0,0,0,0|3,0,0]=4 1087 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,1,0,0,0,0|3,0,0]=4 1088 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,1,0,0,0,0|3,0,0]=4 1089 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,1,0,0,0,0|1,0,2]=4 1090 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,1,0,0,0,0|1,0,2]=4 1091 B13R1.452 CNCC(=O)c1ccc(cc1)C#N 2230a_106832991635_100000212069 [0,1,0,0,0,0|1,0,2]=4 1092 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,1,0,0,0,0|0,0,2]=3 1093 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,1,0,0,0,0|0,0,2]=3 1094 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,1,0,0,0,0|0,1,2]=4 1095 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,1,0,0,0,0|0,1,2]=4 1096 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,1,0,0,0,0|0,0,0]=1 1097 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,1,0,0,0,0|0,0,0]=1 1098 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,1,0,0,0,0|0,0,0]=1 1099 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,1,0,0,0,0|0,0,0]=1 1100 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,1,0,0,0,0|1,0,2]=4 1101 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,1,0,0,0,0|1,0,2]=4 1102 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,1,0,0,0,0|1,0,2]=4 1103 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,1,0,0,0,0|1,0,2]=4 1104 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,1,0,0,0,0|1,0,2]=4 1105 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,1,0,0,0,0|1,0,2]=4 1106 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1107 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,1,0,0,0,0|3,0,0]=4 1108 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,1,0,0,0,0|3,0,0]=4 1109 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,1,0,0,0,0|1,0,2]=4 1110 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,1,0,0,0,0|1,0,2]=4 1111 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,1,0,0,0,0|1,0,2]=4 1112 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,1,0,0,0,0|1,0,2]=4 1113 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1114 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,1,0,0,0,0|0,0,0]=1 1115 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,1,0,0,0,0|0,0,0]=1 1116 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,1,0,0,0,0|3,0,0]=4 1117 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,1,0,0,0,0|3,0,0]=4 1118 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,1,0,0,0,0|3,0,0]=4 1119 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,1,0,0,0,0|1,0,2]=4 1120 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,1,0,0,0,0|1,0,2]=4 1121 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,1,0,0,0,0|1,0,2]=4 1122 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,1,0,0,0,0|1,0,2]=4 1123 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,1,0,0,0,0|1,0,2]=4 1124 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,1,0,0,0,0|1,0,2]=4 1125 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,1,0,0,0,0|1,0,2]=4 1126 B13R1.466 CCNC(C)c1ccc(c(c1)Br)O 269862a_100015525214_100011772453 [0,1,0,0,0,0|3,0,0]=4 1127 B13R1.466 CCNC(C)c1ccc(c(c1)C)O 269862a_100015525214_100000188726 [0,1,0,0,0,0|3,0,0]=4 1128 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)O 269862a_100015525214_100000188625 [0,1,0,0,0,0|3,0,0]=4 1129 B13R1.466 CCNC(C)c1ccc(c(c1)F)O 269862a_100015525214_100000751691 [0,1,0,0,0,0|3,0,0]=4 1130 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,1,0,0,0,0|1,0,2]=4 1131 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,1,0,0,0,0|1,0,2]=4 1132 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,1,0,0,0,0|1,0,2]=4 1133 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,1,0,0,0,0|1,0,2]=4 1134 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,1,0,0,0,0|1,0,2]=4 1135 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,1,0,0,0,0|1,0,2]=4 1136 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,1,0,0,0,0|1,0,2]=4 1137 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,1,0,0,0,0|1,0,2]=4 1138 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,1,0,0,0,0|1,0,2]=4 1139 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,1,0,0,0,0|1,0,2]=4 1140 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,1,0,0,0,0|1,0,2]=4 1141 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,1,0,0,0,0|1,0,2]=4 1142 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,1,0,0,0,0|1,0,2]=4 1143 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,1,0,0,0,0|1,0,2]=4 1144 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,1,0,0,0,0|1,0,2]=4 1145 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,1,0,0,0,0|1,0,2]=4 1146 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,1,0,0,0,0|0,0,2]=3 1147 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,1,0,0,0,0|1,0,2]=4 1148 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,1,0,0,0,0|1,0,2]=4 1149 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,1,0,0,0,0|1,0,2]=4 1150 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,1,0,0,0,0|1,0,2]=4 1151 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,1,0,0,0,0|1,0,2]=4 1152 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,1,0,0,0,0|1,0,2]=4 1153 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,1,0,0,0,0|1,0,2]=4 1154 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,1,0,0,0,0|1,0,2]=4 1155 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,1,0,0,0,0|1,0,2]=4 1156 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,1,0,0,0,0|1,0,2]=4 1157 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,1,0,0,0,0|1,0,2]=4 1158 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,1,0,0,0,0|1,0,2]=4 1159 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,1,0,0,0,0|0,0,2]=3 1160 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,1,0,0,0,0|0,0,0]=1 1161 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [0,1,0,0,0,0|1,0,0]=2 1162 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [0,1,0,0,0,0|1,0,0]=2 1163 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [0,1,0,0,0,0|1,0,0]=2 1164 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,1,0,0,0,0|1,0,2]=4 1165 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,1,0,0,0,0|1,0,2]=4 1166 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,1,0,0,0,0|1,0,2]=4 1167 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,1,0,0,0,0|1,0,2]=4 1168 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,1,0,0,0,0|1,0,2]=4 1169 B13R1.466 COCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200000210301 [0,1,0,0,0,0|3,0,0]=4 1170 B13R1.466 COC[C@@H](O)c1ccc(c(c1)F)F 34a_100138415774_100000761251 [0,1,0,0,0,0|2,0,0]=3 1171 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [0,1,0,0,0,0|1,0,2]=4 1172 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [0,1,0,0,0,0|1,0,2]=4 1173 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,1,0,0,0,0|1,0,2]=4 1174 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200000210301 [0,1,0,0,0,0|2,0,0]=3 1175 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_200000210301_100000761251 [0,1,0,0,0,0|2,0,0]=3 1176 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,1,0,0,0,0|0,0,0]=1 1177 B13R1.466 [13CH3]OCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200025704644 [0,1,0,0,0,0|3,0,0]=4 1178 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [0,1,0,0,0,0|1,0,2]=4 1179 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [0,1,0,0,0,0|1,0,2]=4 1180 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,1,0,0,0,0|1,0,2]=4 1181 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200025704644 [0,1,0,0,0,0|2,0,0]=3 1182 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_200025704644_100000761251 [0,1,0,0,0,0|2,0,0]=3 1183 B13R1.1511 CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210303 [0,1,0,0,0,0|1,0,2]=4 1184 B13R1.1511 CCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210303 [0,1,0,0,0,0|1,0,2]=4 1185 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210303 [0,1,0,0,0,0|1,0,2]=4 1186 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210303 [0,1,0,0,0,0|1,0,2]=4 1187 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012345046 [0,1,0,0,0,0|1,0,2]=4 1188 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210303 [0,1,0,0,0,0|1,0,2]=4 1189 B13R1.1511 CCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210303 [0,1,0,0,0,0|3,0,0]=4 1190 B13R1.1511 CCCN(C)c1ccc(cc1C)O 34a_100161107805_100000210303 [0,1,0,0,0,0|3,0,0]=4 1191 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 34a_100102657272_100012361341 [0,1,0,0,0,0|1,0,2]=4 1192 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 7a_106832991635_100012361341 [0,1,0,0,0,0|1,0,2]=4 1193 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 2230a_106832991635_100000229959 [0,1,0,0,0,0|1,0,2]=4 1194 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 34a_100102657272_100000229959 [0,1,0,0,0,0|1,0,2]=4 1195 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 7a_106832991635_100000229959 [0,1,0,0,0,0|1,0,2]=4 1196 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100011218845 [0,1,0,0,0,0|1,0,2]=4 1197 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 2230a_106832991635_100012056422 [0,1,0,0,0,0|1,0,2]=4 1198 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 34a_100102657272_100012056422 [0,1,0,0,0,0|1,0,2]=4 1199 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 34a_100102657272_200012361339 [0,1,0,0,0,0|1,0,2]=4 1200 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 7a_106832991635_200012361339 [0,1,0,0,0,0|1,0,2]=4 1201 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 34a_100102657272_100012351891 [0,1,0,0,0,0|1,0,2]=4 1202 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 7a_106832991635_100012351891 [0,1,0,0,0,0|1,0,2]=4 1203 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 34a_100102657272_100000229962 [0,1,0,0,0,0|1,0,2]=4 1204 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 7a_106832991635_100000229962 [0,1,0,0,0,0|1,0,2]=4 1205 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,1,0,0,0,0|1,0,2]=4 1206 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,1,0,0,0,0|0,0,2]=3 1207 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,1,0,0,0,0|0,0,2]=3 1208 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 2230a_106832991635_100000761269 [0,1,0,0,0,0|1,0,0]=2 1209 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 34a_100102657272_100000761269 [0,1,0,0,0,0|1,0,0]=2 1210 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 7a_106832991635_100000761269 [0,1,0,0,0,0|1,0,0]=2 1211 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_106832991635_100000761231 [0,1,0,0,0,0|1,0,0]=2 1212 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100102657272_100000761231 [0,1,0,0,0,0|1,0,0]=2 1213 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991635_100000761231 [0,1,0,0,0,0|1,0,0]=2 1214 B13R1.1511 CNNC(=O)c1ccc(cc1Br)O 22a_100016993582_100012344906 [0,1,0,0,0,0|1,0,2]=4 1215 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)O 22a_100016993582_100000702456 [0,1,0,0,0,0|1,0,2]=4 1216 B13R1.1511 CNNC(=O)c1ccc(cc1F)O 22a_100016993582_100000689029 [0,1,0,0,0,0|1,0,2]=4 1217 B13R1.1511 CNNC(=O)c1ccc(cc1O)O 22a_100016993582_100000212172 [0,1,0,0,0,0|1,0,2]=4 1218 B13R1.1511 COCC(=O)c1ccc(cc1O)O 34a_100138415774_100009814262 [0,1,0,0,0,0|1,0,2]=4 1219 B13R1.1511 COCN(C)c1ccc(cc1C)O 269982a_100161107805_100000766300 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.1511 COC[C@@H](N)c1ccc(cc1C)Br 34a_100138412551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1221 B13R1.1511 COC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200000210301 [0,1,0,0,0,0|3,0,0]=4 1222 B13R1.1511 COC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200000210301 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.1511 COC[C@@H](O)c1ccc(cc1F)F 34a_100138415774_100000761269 [0,1,0,0,0,0|2,0,0]=3 1224 B13R1.1511 COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138415774_100000761231 [0,1,0,0,0,0|2,0,0]=3 1225 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_100009814262_200000210301 [0,1,0,0,0,0|1,0,2]=4 1226 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_200000210301_100009814262 [0,1,0,0,0,0|1,0,2]=4 1227 B13R1.1511 CSCN(C)c1ccc(cc1C)O 269982a_100161107805_100011218213 [0,1,0,0,0,0|3,0,0]=4 1228 B13R1.1511 CSCN(C)c1ccc(cc1C)O 34a_100161107805_100011218213 [0,1,0,0,0,0|3,0,0]=4 1229 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200000210301 [0,1,0,0,0,0|2,0,0]=3 1230 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_200000210301_100000761269 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000210301 [0,1,0,0,0,0|2,0,0]=3 1232 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000210301_100000761231 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.1511 Cc1cc(ccc1[C@H](N)CO[13CH3])Br 34a_100138412551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1234 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200025704644 [0,1,0,0,0,0|3,0,0]=4 1235 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200025704644 [0,1,0,0,0,0|3,0,0]=4 1236 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_100009814262_200025704644 [0,1,0,0,0,0|1,0,2]=4 1237 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_200025704644_100009814262 [0,1,0,0,0,0|1,0,2]=4 1238 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200025704644 [0,1,0,0,0,0|2,0,0]=3 1239 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_200025704644_100000761269 [0,1,0,0,0,0|2,0,0]=3 1240 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200025704644 [0,1,0,0,0,0|2,0,0]=3 1241 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_200025704644_100000761231 [0,1,0,0,0,0|2,0,0]=3 1242 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185759 [0,0,0,1,0,0|2,0,1]=4 1243 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_203496583355_200010223205 [0,0,0,1,0,0|2,0,1]=4 1244 B13R2.12 Oc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000185759 [0,0,0,1,0,0|2,0,1]=4 1245 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [0,0,0,1,0,0|2,0,1]=4 1246 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,0,0,1,0,0|2,0,0]=3 1247 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,0,0,1,0,0|2,0,0]=3 1248 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,0,0,1,0,0|3,0,0]=4 1249 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [0,0,0,1,0,0|3,0,0]=4 1250 B13R2.12 Oc1ccc(nc1)C2OCCO2 271570a_203496583355_100010170810 [0,0,0,1,0,0|3,0,0]=4 1251 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [0,0,0,1,0,0|2,0,0]=3 1252 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [0,0,0,1,0,0|2,0,0]=3 1253 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [0,0,0,1,0,0|2,0,0]=3 1254 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [0,0,0,1,0,0|2,0,0]=3 1255 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [0,0,0,1,0,0|2,0,0]=3 1256 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [0,0,0,1,0,0|2,0,0]=3 1257 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [0,0,0,1,0,0|2,0,0]=3 1258 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [0,0,0,1,0,0|2,0,0]=3 1259 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,0,0,1,0,0|3,0,0]=4 1260 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,0,0,1,0,0|3,0,0]=4 1261 B13R2.520 C=C(c1ccc(cc1)O)C2CC2 271570a_100010895485_100000185759 [0,0,0,1,0,0|2,0,1]=4 1262 B13R2.520 CN(c1ccc(cc1)O)C2CC2 269982a_100000182112_100000211595 [0,0,0,1,0,0|3,0,0]=4 1263 B13R2.520 CN(c1ccc(cc1)O)C2CC2 34a_100000182112_100000211595 [0,0,0,1,0,0|3,0,0]=4 1264 B13R2.520 NC(c1ccc(nc1)O)C2CC2 271570a_203496583355_100000114804 [0,0,0,1,0,0|3,0,0]=4 1265 B13R2.520 O=C(c1ccc(cc1)O)C2CC2 271570a_203496583355_100000764646 [0,0,0,1,0,0|1,0,2]=4 1266 B13R2.520 O=S(c1ccc(cc1)O)C2CC2 271570a_203496583355_103551703186 [0,0,0,1,0,0|2,0,1]=4 1267 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [0,0,0,1,0,0|1,0,0]=2 1268 B13R2.2986 NC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000746438 [0,0,0,1,0,0|2,0,0]=3 1269 B13R2.2986 Oc1ccc(cc1)C2(CCC2)O 271570a_203496583355_100010132843 [0,0,0,1,0,0|1,0,0]=2 1270 B13R2.2986 Oc1ccc(cc1)C2(COC2)O 271570a_203496583355_100010074357 [0,0,0,1,0,0|1,0,0]=2 1271 B13R2.2986 Oc1ccc(nc1)C2(COC2)O 271570a_203496583355_200010113846 [0,0,0,1,0,0|2,0,0]=3 1272 B13R2.5179 N[C@@H]1CCOc2c1ccc(c2)O 271570a_203496583355_100020639266 [0,0,0,1,0,0|3,0,0]=4 1273 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,0,0,1,0,0|2,0,0]=3 1274 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,0,0,1,0,0|1,0,2]=4 1275 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,0,0,1,0,0|2,0,0]=3 1276 B13R2.5187 Cc1ccc2c(nn(c2c1)C)O 271570a_203496583355_100010073239 [0,0,0,1,0,0|2,0,1]=4 1277 B13R2.5187 Cc1nn(c2c1ccc(c2)O)C 271570a_203496583355_100010255092 [0,0,0,1,0,0|2,0,1]=4 1278 B13R2.5187 Cn1[nH]c(=O)c2c1cc(cc2)O 271570a_203496583355_100011014602 [0,0,0,1,0,0|1,0,2]=4 1279 B13R2.5187 Cn1nc(c2c1cc(cc2)Br)O 271570a_203496583355_100010161269 [0,0,0,1,0,0|2,0,1]=4 1280 B13R2.5187 Cn1nc(c2c1cc(cc2)F)O 271570a_203496583355_100010161261 [0,0,0,1,0,0|2,0,1]=4 1281 B13R2.5187 Cn1nc(c2c1cc(cc2)N)O 271570a_203496583355_100010163569 [0,0,0,1,0,0|2,0,1]=4 1282 B13R2.5187 Cn1nc(c2c1cc(cc2)O)N 271570a_203496583355_100010244983 [0,0,0,1,0,0|2,0,1]=4 1283 B13R1.19 CC(CC#N)Sc1ccc(cc1)O 62a_100009813641_100000185759 [0,0,0,0,0,1|3,0,0]=4 1284 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,0,0,0,0,1|3,0,0]=4 1285 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,0,0,0,0,1|3,0,0]=4 1286 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 2230a_200020586543_200025704644 [0,0,0,0,0,1|2,0,0]=3 1287 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 34a_200020586543_200025704644 [0,0,0,0,0,1|2,0,0]=3 1288 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_100010228477_200025704644 [0,0,0,0,0,1|3,0,0]=4 1289 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_200025704644_100010228477 [0,0,0,0,0,1|3,0,0]=4 1290 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,0,0,0,0,1|1,0,2]=4 1291 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [0,0,0,0,0,1|1,0,2]=4 1292 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,0,0,0,0,1|3,0,0]=4 1293 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,0,0,0,0,1|3,0,0]=4 1294 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,0,0,0,0,1|3,0,0]=4 1295 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,0,0,0,0,1|3,0,0]=4 1296 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,0,0,0,0,1|3,0,0]=4 1297 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,0,0,0,0,1|3,0,0]=4 1298 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,0,0,0,0,1|3,0,0]=4 1299 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,0,0,0,0,1|2,0,0]=3 1300 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,0,0,0,0,1|3,0,0]=4 1301 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,0,0,0,0,1|3,0,0]=4 1302 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,0,0,0,0,1|3,0,0]=4 1303 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,0,0,0,0,1|3,0,0]=4 1304 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,0,0,0,0,1|3,0,0]=4 1305 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,0,0,0,0,1|3,0,0]=4 1306 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,0,0,0,0,1|3,0,0]=4 1307 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,0,0,0,0,1|3,0,0]=4 1308 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,0,0,0,0,1|3,0,0]=4 1309 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,0,0,0,0,1|3,0,0]=4 1310 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,0,0,0,0,1|3,0,0]=4 1311 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,0,0,0,0,1|3,0,0]=4 1312 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,0,0,0,0,1|3,0,0]=4 1313 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,0,0,0,0,1|3,0,0]=4 1314 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,0,0,0,0,1|3,0,0]=4 1315 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,0,0,0,0,1|3,0,0]=4 1316 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,0,0,0,0,1|3,0,0]=4 1317 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,0,0,0,0,1|3,0,0]=4 1318 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,0,0,0,0,1|3,0,0]=4 1319 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,0,0,0,0,1|3,0,0]=4 1320 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,0,0,0,0,1|2,0,0]=3 1321 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000685995_100000766640 [0,0,0,0,0,1|3,0,0]=4 1322 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000766640_100000744096 [0,0,0,0,0,1|3,0,0]=4 1323 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,0,0,0,0,1|3,0,0]=4 1324 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,0,0,0,0,1|3,0,0]=4 1325 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,0,0,0,0,1|3,0,0]=4 1326 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,0,0,0,0,1|3,0,0]=4 1327 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,0,0,0,0,1|3,0,0]=4 1328 B13R1.19 CCOC(C)Oc1ccc(cc1)O 271570a_203496583355_100009812852 [0,0,0,0,0,1|3,0,0]=4 1329 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200000210301 [0,0,0,0,0,1|1,0,2]=4 1330 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000183692 [0,0,0,0,0,1|1,0,2]=4 1331 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 34a_100102657272_100000183692 [0,0,0,0,0,1|1,0,2]=4 1332 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 7a_106832991635_100000183692 [0,0,0,0,0,1|1,0,2]=4 1333 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 2230a_106832991635_100000182914 [0,0,0,0,0,1|1,0,2]=4 1334 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 34a_100102657272_100000182914 [0,0,0,0,0,1|1,0,2]=4 1335 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 7a_106832991635_100000182914 [0,0,0,0,0,1|1,0,2]=4 1336 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000182960 [0,0,0,0,0,1|1,0,2]=4 1337 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 34a_100102657272_100000182960 [0,0,0,0,0,1|1,0,2]=4 1338 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000182960 [0,0,0,0,0,1|1,0,2]=4 1339 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200000210301 [0,0,0,0,0,1|1,0,2]=4 1340 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_106832991635_100000181725 [0,0,0,0,0,1|1,0,2]=4 1341 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100025683178_200000210301 [0,0,0,0,0,1|1,0,2]=4 1342 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100102657272_100000181725 [0,0,0,0,0,1|1,0,2]=4 1343 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 7a_106832991635_100000181725 [0,0,0,0,0,1|1,0,2]=4 1344 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 2230a_106832991635_100000183000 [0,0,0,0,0,1|1,0,2]=4 1345 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 34a_100102657272_100000183000 [0,0,0,0,0,1|1,0,2]=4 1346 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 7a_106832991635_100000183000 [0,0,0,0,0,1|1,0,2]=4 1347 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [0,0,0,0,0,1|0,0,2]=3 1348 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [0,0,0,0,0,1|0,0,2]=3 1349 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [0,0,0,0,0,1|0,0,2]=3 1350 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 2230a_106832991635_200010760497 [0,0,0,0,0,1|1,0,2]=4 1351 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 34a_100102657272_200010760497 [0,0,0,0,0,1|1,0,2]=4 1352 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 7a_106832991635_200010760497 [0,0,0,0,0,1|1,0,2]=4 1353 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [0,0,0,0,0,1|2,0,0]=3 1354 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [0,0,0,0,0,1|2,0,0]=3 1355 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_106832991635_100010228477 [0,0,0,0,0,1|2,0,0]=3 1356 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_200000210301 [0,0,0,0,0,1|2,0,0]=3 1357 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_100102657272_100010228477 [0,0,0,0,0,1|2,0,0]=3 1358 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_200020586543_200000210301 [0,0,0,0,0,1|2,0,0]=3 1359 B13R1.19 CNCC(C)Oc1ccc(cc1)F 7a_106832991635_100010228477 [0,0,0,0,0,1|2,0,0]=3 1360 B13R1.19 CNNC(=O)Cc1ccc(cc1)O 22a_100016993582_100000198540 [0,0,0,0,0,1|1,0,2]=4 1361 B13R1.19 COCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210968 [0,0,0,0,0,1|1,0,2]=4 1362 B13R1.19 COCC(=O)Nc1ccc(cc1)O 34a_100138415774_100000233757 [0,0,0,0,0,1|1,0,2]=4 1363 B13R1.19 COCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000765312 [0,0,0,0,0,1|3,0,0]=4 1364 B13R1.19 COCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000765312 [0,0,0,0,0,1|3,0,0]=4 1365 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,0,0,0,0,1|3,0,0]=4 1366 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000765312 [0,0,0,0,0,1|3,0,0]=4 1367 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000765312 [0,0,0,0,0,1|3,0,0]=4 1368 B13R1.19 COCC(C)Nc1ccc(cc1)F 34a_100000185862_100000765312 [0,0,0,0,0,1|3,0,0]=4 1369 B13R1.19 COCC(C)Nc1ccc(cc1)I 34a_100000185761_100000765312 [0,0,0,0,0,1|3,0,0]=4 1370 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [0,0,0,0,0,1|2,0,0]=3 1371 B13R1.19 COCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000765312 [0,0,0,0,0,1|3,0,0]=4 1372 B13R1.19 COCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000765312 [0,0,0,0,0,1|3,0,0]=4 1373 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,0,0,0,0,1|3,0,0]=4 1374 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,0,0,0,0,1|3,0,0]=4 1375 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [0,0,0,0,0,1|3,0,0]=4 1376 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [0,0,0,0,0,1|3,0,0]=4 1377 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100000210339_100000765312 [0,0,0,0,0,1|3,0,0]=4 1378 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100138415774_100010228477 [0,0,0,0,0,1|3,0,0]=4 1379 B13R1.19 COCC(C)Oc1ccc(cc1)I 34a_100000212066_100000765312 [0,0,0,0,0,1|3,0,0]=4 1380 B13R1.19 COCC(C)Oc1ccc(cc1)I 7a_100000212066_100000765312 [0,0,0,0,0,1|3,0,0]=4 1381 B13R1.19 COCC(C)Oc1ccc(cc1)N 34a_100000185829_100000765312 [0,0,0,0,0,1|3,0,0]=4 1382 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000765312 [0,0,0,0,0,1|3,0,0]=4 1383 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000765312_100000752885 [0,0,0,0,0,1|3,0,0]=4 1384 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,0,0,0,0,1|3,0,0]=4 1385 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,0,0,0,0,1|3,0,0]=4 1386 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000765312 [0,0,0,0,0,1|3,0,0]=4 1387 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000765312_100000755918 [0,0,0,0,0,1|3,0,0]=4 1388 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000211213_100000765312 [0,0,0,0,0,1|3,0,0]=4 1389 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000765312_100000211213 [0,0,0,0,0,1|3,0,0]=4 1390 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000185761_100000765312 [0,0,0,0,0,1|3,0,0]=4 1391 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000765312_100000185761 [0,0,0,0,0,1|3,0,0]=4 1392 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [0,0,0,0,0,1|2,0,0]=3 1393 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000685995_100000765312 [0,0,0,0,0,1|3,0,0]=4 1394 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000765312_100000744096 [0,0,0,0,0,1|3,0,0]=4 1395 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,0,0,0,0,1|3,0,0]=4 1396 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,0,0,0,0,1|3,0,0]=4 1397 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,0,0,0,0,1|3,0,0]=4 1398 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000184570 [0,0,0,0,0,1|1,0,2]=4 1399 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 62a_200000210301_100000233757 [0,0,0,0,0,1|1,0,2]=4 1400 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_100010228477_200000210301 [0,0,0,0,0,1|3,0,0]=4 1401 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_200000210301_100010228477 [0,0,0,0,0,1|3,0,0]=4 1402 B13R1.19 CSCN(C)Cc1ccc(cc1)O 2230a_100000207500_100011218213 [0,0,0,0,0,1|3,0,0]=4 1403 B13R1.19 CSCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011218213 [0,0,0,0,0,1|3,0,0]=4 1404 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [0,0,0,0,0,1|2,0,0]=3 1405 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [0,0,0,0,0,1|2,0,0]=3 1406 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200025704644 [0,0,0,0,0,1|1,0,2]=4 1407 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200025704644 [0,0,0,0,0,1|1,0,2]=4 1408 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 34a_100025683178_200025704644 [0,0,0,0,0,1|1,0,2]=4 1409 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,0,0,0,0,1|3,0,0]=4 1410 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)O 62a_200025704644_100000233757 [0,0,0,0,0,1|1,0,2]=4 1411 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|0,0,2]=4 1412 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|0,0,2]=4 1413 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|0,0,0]=2 1414 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [2,0,0,0,0,0|2,0,0]=4 1415 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [2,0,0,0,0,0|2,0,0]=4 1416 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [2,0,0,0,0,0|2,0,0]=4 1417 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [2,0,0,0,0,0|2,0,0]=4 1418 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [2,0,0,0,0,0|2,0,0]=4 1419 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [2,0,0,0,0,0|2,0,0]=4 1420 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [2,0,0,0,0,0|2,0,0]=4 1421 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [2,0,0,0,0,0|2,0,0]=4 1422 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [2,0,0,0,0,0|1,0,0]=3 1423 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [2,0,0,0,0,0|1,0,0]=3 1424 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [2,0,0,0,0,0|2,0,0]=4 1425 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [2,0,0,0,0,0|2,0,0]=4 1426 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [2,0,0,0,0,0|2,0,0]=4 1427 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [2,0,0,0,0,0|2,0,0]=4 1428 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [2,0,0,0,0,0|2,0,0]=4 1429 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [2,0,0,0,0,0|2,0,0]=4 1430 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [2,0,0,0,0,0|2,0,0]=4 1431 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [2,0,0,0,0,0|2,0,0]=4 1432 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [2,0,0,0,0,0|2,0,0]=4 1433 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [2,0,0,0,0,0|2,0,0]=4 1434 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [2,0,0,0,0,0|2,0,0]=4 1435 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [2,0,0,0,0,0|1,0,0]=3 1436 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [2,0,0,0,0,0|2,0,0]=4 1437 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [2,0,0,0,0,0|2,0,0]=4 1438 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [2,0,0,0,0,0|2,0,0]=4 1439 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [2,0,0,0,0,0|2,0,0]=4 1440 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [2,0,0,0,0,0|2,0,0]=4 1441 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [2,0,0,0,0,0|2,0,0]=4 1442 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [2,0,0,0,0,0|2,0,0]=4 1443 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [2,0,0,0,0,0|2,0,0]=4 1444 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [2,0,0,0,0,0|2,0,0]=4 1445 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [2,0,0,0,0,0|2,0,0]=4 1446 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [2,0,0,0,0,0|2,0,0]=4 1447 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [2,0,0,0,0,0|2,0,0]=4 1448 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [2,0,0,0,0,0|1,0,0]=3 1449 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [2,0,0,0,0,0|1,0,0]=3 1450 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [2,0,0,0,0,0|2,0,0]=4 1451 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [2,0,0,0,0,0|2,0,0]=4 1452 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [2,0,0,0,0,0|2,0,0]=4 1453 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [2,0,0,0,0,0|1,0,0]=3 1454 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [2,0,0,0,0,0|1,0,0]=3 1455 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [2,0,0,0,0,0|1,0,0]=3 1456 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [2,0,0,0,0,0|1,0,0]=3 1457 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [2,0,0,0,0,0|1,0,0]=3 1458 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [2,0,0,0,0,0|1,0,0]=3 1459 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [2,0,0,0,0,0|1,0,0]=3 1460 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [2,0,0,0,0,0|1,0,0]=3 1461 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [2,0,0,0,0,0|1,0,0]=3 1462 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [2,0,0,0,0,0|1,0,0]=3 1463 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [2,0,0,0,0,0|1,0,0]=3 1464 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [2,0,0,0,0,0|1,0,0]=3 1465 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [2,0,0,0,0,0|1,0,0]=3 1466 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [2,0,0,0,0,0|1,0,0]=3 1467 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [2,0,0,0,0,0|1,0,0]=3 1468 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [2,0,0,0,0,0|1,0,0]=3 1469 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [2,0,0,0,0,0|1,0,0]=3 1470 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [2,0,0,0,0,0|1,0,0]=3 1471 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [2,0,0,0,0,0|1,0,0]=3 1472 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [2,0,0,0,0,0|1,0,0]=3 1473 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [2,0,0,0,0,0|1,0,0]=3 1474 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [2,0,0,0,0,0|1,0,0]=3 1475 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [2,0,0,0,0,0|1,0,0]=3 1476 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [2,0,0,0,0,0|1,0,0]=3 1477 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [2,0,0,0,0,0|1,0,0]=3 1478 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [2,0,0,0,0,0|1,0,0]=3 1479 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [2,0,0,0,0,0|1,0,0]=3 1480 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [2,0,0,0,0,0|1,0,0]=3 1481 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [2,0,0,0,0,0|1,0,0]=3 1482 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [2,0,0,0,0,0|1,0,0]=3 1483 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [2,0,0,0,0,0|1,0,0]=3 1484 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [2,0,0,0,0,0|1,0,0]=3 1485 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [2,0,0,0,0,0|1,0,0]=3 1486 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [2,0,0,0,0,0|1,0,0]=3 1487 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [2,0,0,0,0,0|1,0,0]=3 1488 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [2,0,0,0,0,0|1,0,0]=3 1489 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|0,0,0]=2 1490 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|0,0,0]=2 1491 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [2,0,0,0,0,0|2,0,0]=4 1492 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [2,0,0,0,0,0|2,0,0]=4 1493 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [2,0,0,0,0,0|2,0,0]=4 1494 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [2,0,0,0,0,0|2,0,0]=4 1496 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [2,0,0,0,0,0|2,0,0]=4 1497 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [2,0,0,0,0,0|2,0,0]=4 1498 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [2,0,0,0,0,0|2,0,0]=4 1499 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [2,0,0,0,0,0|2,0,0]=4 1500 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1501 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [2,0,0,0,0,0|2,0,0]=4 1502 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [2,0,0,0,0,0|2,0,0]=4 1503 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [2,0,0,0,0,0|2,0,0]=4 1504 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [2,0,0,0,0,0|2,0,0]=4 1505 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [2,0,0,0,0,0|2,0,0]=4 1506 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [2,0,0,0,0,0|2,0,0]=4 1507 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [2,0,0,0,0,0|2,0,0]=4 1508 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [2,0,0,0,0,0|2,0,0]=4 1509 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [2,0,0,0,0,0|2,0,0]=4 1510 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [2,0,0,0,0,0|2,0,0]=4 1511 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [2,0,0,0,0,0|2,0,0]=4 1512 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [2,0,0,0,0,0|2,0,0]=4 1513 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [2,0,0,0,0,0|2,0,0]=4 1514 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [2,0,0,0,0,0|2,0,0]=4 1515 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [2,0,0,0,0,0|2,0,0]=4 1516 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [2,0,0,0,0,0|2,0,0]=4 1517 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [2,0,0,0,0,0|2,0,0]=4 1518 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [2,0,0,0,0,0|2,0,0]=4 1519 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [2,0,0,0,0,0|2,0,0]=4 1520 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [2,0,0,0,0,0|2,0,0]=4 1521 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [2,0,0,0,0,0|2,0,0]=4 1522 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [2,0,0,0,0,0|2,0,0]=4 1523 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [2,0,0,0,0,0|2,0,0]=4 1524 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [2,0,0,0,0,0|2,0,0]=4 1525 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [2,0,0,0,0,0|2,0,0]=4 1526 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [2,0,0,0,0,0|2,0,0]=4 1527 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [2,0,0,0,0,0|2,0,0]=4 1528 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [2,0,0,0,0,0|2,0,0]=4 1529 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [2,0,0,0,0,0|2,0,0]=4 1530 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [2,0,0,0,0,0|2,0,0]=4 1531 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [2,0,0,0,0,0|2,0,0]=4 1532 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [2,0,0,0,0,0|2,0,0]=4 1533 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [2,0,0,0,0,0|2,0,0]=4 1534 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [2,0,0,0,0,0|2,0,0]=4 1535 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [2,0,0,0,0,0|1,0,0]=3 1536 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [2,0,0,0,0,0|1,0,0]=3 1537 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [2,0,0,0,0,0|1,0,0]=3 1538 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [2,0,0,0,0,0|2,0,0]=4 1539 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [2,0,0,0,0,0|2,0,0]=4 1540 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [2,0,0,0,0,0|2,0,0]=4 1541 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [2,0,0,0,0,0|2,0,0]=4 1542 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [2,0,0,0,0,0|2,0,0]=4 1543 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [2,0,0,0,0,0|2,0,0]=4 1544 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [2,0,0,0,0,0|2,0,0]=4 1545 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [2,0,0,0,0,0|2,0,0]=4 1546 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [2,0,0,0,0,0|2,0,0]=4 1547 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [2,0,0,0,0,0|2,0,0]=4 1548 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [2,0,0,0,0,0|2,0,0]=4 1549 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [2,0,0,0,0,0|2,0,0]=4 1550 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [2,0,0,0,0,0|2,0,0]=4 1551 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [2,0,0,0,0,0|2,0,0]=4 1552 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [2,0,0,0,0,0|2,0,0]=4 1553 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|1,0,0]=3 1554 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [2,0,0,0,0,0|2,0,0]=4 1555 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [2,0,0,0,0,0|2,0,0]=4 1556 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [2,0,0,0,0,0|2,0,0]=4 1557 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [2,0,0,0,0,0|2,0,0]=4 1558 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [2,0,0,0,0,0|2,0,0]=4 1559 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [2,0,0,0,0,0|2,0,0]=4 1560 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [2,0,0,0,0,0|2,0,0]=4 1561 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [2,0,0,0,0,0|2,0,0]=4 1562 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [2,0,0,0,0,0|2,0,0]=4 1564 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [2,0,0,0,0,0|2,0,0]=4 1565 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [2,0,0,0,0,0|1,0,0]=3 1566 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [2,0,0,0,0,0|1,0,0]=3 1567 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [2,0,0,0,0,0|2,0,0]=4 1568 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [2,0,0,0,0,0|2,0,0]=4 1569 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [2,0,0,0,0,0|2,0,0]=4 1570 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [2,0,0,0,0,0|2,0,0]=4 1571 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1572 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1573 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [2,0,0,0,0,0|0,0,2]=4 1574 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [2,0,0,0,0,0|0,0,0]=2 1575 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [2,0,0,0,0,0|1,0,0]=3 1576 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [2,0,0,0,0,0|2,0,0]=4 1577 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|1,0,1]=4 1578 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [2,0,0,0,0,0|1,0,0]=3 1579 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [2,0,0,0,0,0|2,0,0]=4 1580 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [2,0,0,0,0,0|2,0,0]=4 1581 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [2,0,0,0,0,0|2,0,0]=4 1582 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [2,0,0,0,0,0|2,0,0]=4 1583 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [2,0,0,0,0,0|1,0,0]=3 1584 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [2,0,0,0,0,0|1,0,0]=3 1585 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [2,0,0,0,0,0|1,0,0]=3 1586 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [2,0,0,0,0,0|1,0,0]=3 1587 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [2,0,0,0,0,0|1,0,0]=3 1588 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [2,0,0,0,0,0|1,0,0]=3 1589 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [2,0,0,0,0,0|1,0,0]=3 1590 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [2,0,0,0,0,0|1,0,0]=3 1591 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|0,0,0]=2 1592 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [2,0,0,0,0,0|2,0,0]=4 1593 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [2,0,0,0,0,0|2,0,0]=4 1595 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [2,0,0,0,0,0|2,0,0]=4 1596 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [2,0,0,0,0,0|2,0,0]=4 1597 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [2,0,0,0,0,0|2,0,0]=4 1598 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [2,0,0,0,0,0|2,0,0]=4 1600 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [2,0,0,0,0,0|2,0,0]=4 1601 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [2,0,0,0,0,0|1,0,0]=3 1602 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [2,0,0,0,0,0|2,0,0]=4 1603 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [2,0,0,0,0,0|2,0,0]=4 1604 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [2,0,0,0,0,0|2,0,0]=4 1605 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [2,0,0,0,0,0|2,0,0]=4 1606 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [2,0,0,0,0,0|2,0,0]=4 1607 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [2,0,0,0,0,0|2,0,0]=4 1608 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [2,0,0,0,0,0|2,0,0]=4 1609 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [2,0,0,0,0,0|2,0,0]=4 1610 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [2,0,0,0,0,0|2,0,0]=4 1611 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [2,0,0,0,0,0|2,0,0]=4 1612 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [2,0,0,0,0,0|2,0,0]=4 1613 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [2,0,0,0,0,0|2,0,0]=4 1614 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [2,0,0,0,0,0|2,0,0]=4 1615 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [2,0,0,0,0,0|2,0,0]=4 1616 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [2,0,0,0,0,0|2,0,0]=4 1617 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [2,0,0,0,0,0|2,0,0]=4 1618 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,0]=3 1619 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|2,0,0]=4 1620 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|2,0,0]=4 1621 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|2,0,0]=4 1622 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|2,0,0]=4 1623 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 1624 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 1625 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|2,0,0]=4 1627 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 1628 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 1629 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|2,0,0]=4 1630 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 1631 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 1632 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 1633 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|2,0,0]=4 1634 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 1635 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|2,0,0]=4 1636 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|2,0,0]=4 1637 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 1638 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 1639 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|0,0,0]=2 1640 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|0,0,0]=2 1641 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|0,0,0]=2 1642 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 1643 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|1,0,0]=3 1644 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|1,0,0]=3 1645 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 1646 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|1,0,0]=3 1647 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 1648 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|1,0,0]=3 1649 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|1,0,0]=3 1650 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1651 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,0]=3 1652 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1653 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 1654 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|2,0,0]=4 1655 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|2,0,0]=4 1656 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|2,0,0]=4 1657 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|2,0,0]=4 1658 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,0]=3 1659 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,0]=3 1660 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 1661 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 1662 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|2,0,0]=4 1663 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|2,0,0]=4 1664 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1665 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|2,0,0]=4 1666 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 1667 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|2,0,0]=4 1668 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|2,0,0]=4 1669 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|2,0,0]=4 1670 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|2,0,0]=4 1671 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|2,0,0]=4 1672 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 1673 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|0,0,0]=2 1674 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|1,0,0]=3 1675 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1676 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1677 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 1678 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|2,0,0]=4 1679 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|2,0,0]=4 1680 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,0]=3 1681 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,0]=3 1682 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 1683 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 1684 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|2,0,0]=4 1685 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|2,0,0]=4 1686 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1687 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|2,0,0]=4 1688 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|2,0,0]=4 1689 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|2,0,0]=4 1690 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [2,0,0,0,0,0|2,0,0]=4 1691 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1692 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [2,0,0,0,0,0|2,0,0]=4 1693 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [2,0,0,0,0,0|2,0,0]=4 1694 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [2,0,0,0,0,0|2,0,0]=4 1695 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|0,0,2]=4 1696 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 1697 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1698 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [2,0,0,0,0,0|2,0,0]=4 1699 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1700 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [2,0,0,0,0,0|2,0,0]=4 1701 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [2,0,0,0,0,0|2,0,0]=4 1702 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1703 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1704 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [2,0,0,0,0,0|2,0,0]=4 1705 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|0,0,2]=4 1706 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1707 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1708 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|0,0,2]=4 1709 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1710 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [2,0,0,0,0,0|1,0,0]=3 1711 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [2,0,0,0,0,0|1,0,0]=3 1712 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [2,0,0,0,0,0|1,0,0]=3 1713 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [2,0,0,0,0,0|2,0,0]=4 1714 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [2,0,0,0,0,0|2,0,0]=4 1715 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1716 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [2,0,0,0,0,0|2,0,0]=4 1717 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [2,0,0,0,0,0|2,0,0]=4 1718 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [2,0,0,0,0,0|2,0,0]=4 1719 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [2,0,0,0,0,0|1,0,0]=3 1720 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|2,0,0]=4 1721 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 1722 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|2,0,0]=4 1723 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [2,0,0,0,0,0|2,0,0]=4 1724 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [2,0,0,0,0,0|2,0,0]=4 1725 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [2,0,0,0,0,0|1,0,0]=3 1726 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 1727 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|2,0,0]=4 1728 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [2,0,0,0,0,0|1,0,1]=4 1729 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [2,0,0,0,0,0|1,0,1]=4 1730 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [2,0,0,0,0,0|0,0,2]=4 1731 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [2,0,0,0,0,0|0,0,2]=4 1732 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [2,0,0,0,0,0|1,0,0]=3 1733 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [2,0,0,0,0,0|2,0,0]=4 1734 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [2,0,0,0,0,0|2,0,0]=4 1735 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [2,0,0,0,0,0|2,0,0]=4 1736 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [2,0,0,0,0,0|0,0,0]=2 1737 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [2,0,0,0,0,0|1,0,0]=3 1738 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [2,0,0,0,0,0|1,0,0]=3 1739 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 1740 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [2,0,0,0,0,0|2,0,0]=4 1741 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 1742 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 1743 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 1744 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [2,0,0,0,0,0|1,0,1]=4 1745 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [2,0,0,0,0,0|1,0,0]=3 1746 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [2,0,0,0,0,0|1,0,0]=3 1747 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [2,0,0,0,0,0|2,0,0]=4 1748 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [2,0,0,0,0,0|0,0,2]=4 1749 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [2,0,0,0,0,0|2,0,0]=4 1750 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [2,0,0,0,0,0|2,0,0]=4 1751 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [2,0,0,0,0,0|0,0,2]=4 1752 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [1,1,0,0,0,0|1,0,1]=4 1753 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [1,1,0,0,0,0|1,0,1]=4 1754 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [1,1,0,0,0,0|1,0,1]=4 1755 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [1,1,0,0,0,0|1,0,1]=4 1756 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [1,1,0,0,0,0|1,0,1]=4 1757 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [1,1,0,0,0,0|1,0,1]=4 1758 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [1,1,0,0,0,0|1,0,1]=4 1759 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [1,1,0,0,0,0|1,0,1]=4 1760 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [1,1,0,0,0,0|1,0,1]=4 1761 B12R1.1 CC#CCNc1ccc(cc1)O 34a_100000185829_100000748600 [1,1,0,0,0,0|1,0,1]=4 1762 B12R1.1 CC#CCSc1ccc(cc1)O 62a_100000748600_100000185759 [1,1,0,0,0,0|1,0,1]=4 1763 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [1,1,0,0,0,0|1,0,1]=4 1764 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [1,1,0,0,0,0|1,0,1]=4 1765 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,1]=4 1766 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,1,0,0,0,0|1,0,0]=3 1767 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [1,1,0,0,0,0|2,0,0]=4 1768 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [1,1,0,0,0,0|1,0,0]=3 1775 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [1,1,0,0,0,0|2,0,0]=4 1784 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [1,1,0,0,0,0|2,0,0]=4 1785 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [1,1,0,0,0,0|2,0,0]=4 1786 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [1,1,0,0,0,0|1,0,0]=3 1787 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [1,1,0,0,0,0|2,0,0]=4 1789 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [1,1,0,0,0,0|2,0,0]=4 1790 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [1,1,0,0,0,0|1,0,0]=3 1798 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [1,1,0,0,0,0|2,0,0]=4 1809 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [1,1,0,0,0,0|2,0,0]=4 1810 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [1,1,0,0,0,0|2,0,0]=4 1812 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [1,1,0,0,0,0|1,0,0]=3 1820 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [1,1,0,0,0,0|2,0,0]=4 1837 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [1,1,0,0,0,0|2,0,0]=4 1838 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [1,1,0,0,0,0|2,0,0]=4 1840 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [1,1,0,0,0,0|2,0,0]=4 1843 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [1,1,0,0,0,0|1,0,0]=3 1848 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [1,1,0,0,0,0|1,0,0]=3 1849 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [1,1,0,0,0,0|1,0,0]=3 1850 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [1,1,0,0,0,0|1,0,0]=3 1851 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [1,1,0,0,0,0|1,0,0]=3 1852 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [1,1,0,0,0,0|1,0,0]=3 1853 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [1,1,0,0,0,0|1,0,0]=3 1854 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [1,1,0,0,0,0|1,0,0]=3 1855 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [1,1,0,0,0,0|1,0,0]=3 1856 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [1,1,0,0,0,0|1,0,0]=3 1857 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [1,1,0,0,0,0|1,0,0]=3 1858 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [1,1,0,0,0,0|1,0,0]=3 1859 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [1,1,0,0,0,0|0,0,0]=2 1860 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [1,1,0,0,0,0|0,0,0]=2 1861 B12R1.1 CCNN=Cc1ccc(cc1)O 4a_100000756455_100000185832 [1,1,0,0,0,0|1,0,1]=4 1862 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [1,1,0,0,0,0|2,0,0]=4 1877 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [1,1,0,0,0,0|1,0,0]=3 1887 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [1,1,0,0,0,0|1,0,0]=3 1888 B12R1.1 CNCC#Cc1ccc(cc1)Br 2230a_106832991635_100010706785 [1,1,0,0,0,0|1,0,1]=4 1889 B12R1.1 CNCC#Cc1ccc(cc1)Br 34a_100102657272_100010706785 [1,1,0,0,0,0|1,0,1]=4 1890 B12R1.1 CNCC#Cc1ccc(cc1)Br 7a_106832991635_100010706785 [1,1,0,0,0,0|1,0,1]=4 1891 B12R1.1 CNCC#Cc1ccc(cc1)Cl 2230a_100011352944_200000210301 [1,1,0,0,0,0|1,0,1]=4 1892 B12R1.1 CNCC#Cc1ccc(cc1)Cl 34a_100011352944_200000210301 [1,1,0,0,0,0|1,0,1]=4 1893 B12R1.1 CNCC#Cc1ccc(cc1)F 2230a_106832991635_100010402171 [1,1,0,0,0,0|1,0,1]=4 1894 B12R1.1 CNCC#Cc1ccc(cc1)F 34a_100102657272_100010402171 [1,1,0,0,0,0|1,0,1]=4 1895 B12R1.1 CNCC#Cc1ccc(cc1)F 7a_106832991635_100010402171 [1,1,0,0,0,0|1,0,1]=4 1896 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [1,1,0,0,0,0|1,0,1]=4 1897 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [1,1,0,0,0,0|1,0,1]=4 1898 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [1,1,0,0,0,0|1,0,1]=4 1899 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [1,1,0,0,0,0|1,0,1]=4 1900 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [1,1,0,0,0,0|1,0,0]=3 1901 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [1,1,0,0,0,0|1,0,0]=3 1902 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [1,1,0,0,0,0|1,0,0]=3 1903 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [1,1,0,0,0,0|1,0,0]=3 1904 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [1,1,0,0,0,0|1,0,0]=3 1905 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [1,1,0,0,0,0|1,0,0]=3 1906 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [1,1,0,0,0,0|1,0,0]=3 1907 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [1,1,0,0,0,0|1,0,0]=3 1908 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [1,1,0,0,0,0|1,0,0]=3 1909 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [1,1,0,0,0,0|1,0,0]=3 1910 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [1,1,0,0,0,0|1,0,0]=3 1911 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [1,1,0,0,0,0|1,0,0]=3 1912 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [1,1,0,0,0,0|1,0,0]=3 1913 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [1,1,0,0,0,0|1,0,0]=3 1914 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [1,1,0,0,0,0|1,0,0]=3 1915 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [1,1,0,0,0,0|1,0,0]=3 1916 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [1,1,0,0,0,0|1,0,0]=3 1917 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [1,1,0,0,0,0|1,0,0]=3 1918 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [1,1,0,0,0,0|1,0,0]=3 1919 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [1,1,0,0,0,0|1,0,0]=3 1922 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [1,1,0,0,0,0|1,0,0]=3 1923 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [1,1,0,0,0,0|1,0,0]=3 1925 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [1,1,0,0,0,0|1,0,0]=3 1926 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [1,1,0,0,0,0|1,0,0]=3 1927 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [1,1,0,0,0,0|1,0,0]=3 1928 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [1,1,0,0,0,0|1,0,0]=3 1929 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [1,1,0,0,0,0|1,0,0]=3 1931 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [1,1,0,0,0,0|1,0,0]=3 1932 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1933 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [1,1,0,0,0,0|1,0,0]=3 1934 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1935 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [1,1,0,0,0,0|1,0,0]=3 1936 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [1,1,0,0,0,0|1,0,0]=3 1937 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [1,1,0,0,0,0|1,0,0]=3 1938 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [1,1,0,0,0,0|1,0,0]=3 1939 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [1,1,0,0,0,0|1,0,0]=3 1940 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|1,0,1]=4 1941 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [1,1,0,0,0,0|1,0,0]=3 1960 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [1,1,0,0,0,0|2,0,0]=4 1961 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 1962 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [1,1,0,0,0,0|1,0,0]=3 1982 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [1,1,0,0,0,0|2,0,0]=4 1996 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [1,1,0,0,0,0|1,0,0]=3 2000 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [1,1,0,0,0,0|1,0,0]=3 2001 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [1,1,0,0,0,0|2,0,0]=4 2005 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.1 COCNCc1ccc(nc1)O 2230a_100000757128_100000766300 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [1,1,0,0,0,0|2,0,0]=4 2029 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [1,1,0,0,0,0|2,0,0]=4 2030 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [1,1,0,0,0,0|2,0,0]=4 2032 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [1,1,0,0,0,0|1,0,0]=3 2033 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [1,1,0,0,0,0|2,0,0]=4 2058 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [1,1,0,0,0,0|2,0,0]=4 2059 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [1,1,0,0,0,0|2,0,0]=4 2061 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [1,1,0,0,0,0|1,0,0]=3 2062 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000212216_100000744096 [1,1,0,0,0,0|2,0,0]=4 2063 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000685995_100000751147 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [1,1,0,0,0,0|1,0,0]=3 2075 B12R1.1 CSCNCc1ccc(nc1)O 2230a_100000757128_100011218213 [1,1,0,0,0,0|2,0,0]=4 2076 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [1,1,0,0,0,0|2,0,0]=4 2077 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [1,1,0,0,0,0|2,0,0]=4 2078 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [1,1,0,0,0,0|2,0,0]=4 2079 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [1,1,0,0,0,0|2,0,0]=4 2080 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [1,1,0,0,0,0|2,0,0]=4 2081 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [1,1,0,0,0,0|2,0,0]=4 2082 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [1,1,0,0,0,0|2,0,0]=4 2083 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [1,1,0,0,0,0|2,0,0]=4 2084 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [1,1,0,0,0,0|2,0,0]=4 2085 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [1,1,0,0,0,0|2,0,0]=4 2086 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [1,1,0,0,0,0|2,0,0]=4 2087 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [1,1,0,0,0,0|2,0,0]=4 2088 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [1,1,0,0,0,0|2,0,0]=4 2089 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [1,1,0,0,0,0|2,0,0]=4 2090 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [1,1,0,0,0,0|2,0,0]=4 2091 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [1,1,0,0,0,0|2,0,0]=4 2092 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2093 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2094 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 2095 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [1,1,0,0,0,0|1,0,0]=3 2097 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [1,1,0,0,0,0|2,0,0]=4 2098 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [1,1,0,0,0,0|2,0,0]=4 2099 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [1,1,0,0,0,0|2,0,0]=4 2100 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [1,1,0,0,0,0|1,0,0]=3 2102 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [1,1,0,0,0,0|1,0,0]=3 2103 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 2105 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [1,1,0,0,0,0|2,0,0]=4 2107 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [1,1,0,0,0,0|1,0,0]=3 2108 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [1,1,0,0,0,0|2,0,0]=4 2109 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [1,1,0,0,0,0|2,0,0]=4 2110 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [1,1,0,0,0,0|1,0,0]=3 2111 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [1,1,0,0,0,0|1,0,0]=3 2112 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [1,1,0,0,0,0|1,0,0]=3 2113 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [1,1,0,0,0,0|2,0,0]=4 2114 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [1,1,0,0,0,0|2,0,0]=4 2115 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [1,1,0,0,0,0|2,0,0]=4 2118 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [1,1,0,0,0,0|2,0,0]=4 2121 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [1,1,0,0,0,0|2,0,0]=4 2122 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [1,1,0,0,0,0|2,0,0]=4 2123 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [1,1,0,0,0,0|2,0,0]=4 2124 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [1,1,0,0,0,0|2,0,0]=4 2125 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [1,1,0,0,0,0|2,0,0]=4 2126 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [1,1,0,0,0,0|2,0,0]=4 2127 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [1,1,0,0,0,0|2,0,0]=4 2128 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [1,1,0,0,0,0|2,0,0]=4 2129 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [1,1,0,0,0,0|2,0,0]=4 2130 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|2,0,0]=4 2131 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|0,0,1]=3 2132 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [1,1,0,0,0,0|2,0,0]=4 2133 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [1,1,0,0,0,0|2,0,0]=4 2134 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [1,1,0,0,0,0|2,0,0]=4 2135 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [1,1,0,0,0,0|2,0,0]=4 2136 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [1,1,0,0,0,0|2,0,0]=4 2137 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [1,1,0,0,0,0|0,0,0]=2 2138 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [1,1,0,0,0,0|1,0,0]=3 2139 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [1,1,0,0,0,0|1,0,0]=3 2140 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [1,1,0,0,0,0|2,0,0]=4 2141 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 2230a_100011352944_200025704644 [1,1,0,0,0,0|1,0,1]=4 2144 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 34a_100011352944_200025704644 [1,1,0,0,0,0|1,0,1]=4 2145 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2146 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2147 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [1,1,0,0,0,0|1,0,0]=3 2148 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [1,1,0,0,0,0|1,0,0]=3 2149 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [1,1,0,0,0,0|1,0,0]=3 2150 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [1,1,0,0,0,0|1,0,0]=3 2151 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [1,1,0,0,0,0|1,0,0]=3 2152 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [1,1,0,0,0,0|1,0,0]=3 2153 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [1,1,0,0,0,0|1,0,0]=3 2154 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [1,1,0,0,0,0|1,0,0]=3 2155 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2156 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2157 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [1,1,0,0,0,0|1,0,0]=3 2158 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [1,1,0,0,0,0|1,0,0]=3 2159 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 2160 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 2161 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 2162 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [1,1,0,0,0,0|2,0,0]=4 2171 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [1,1,0,0,0,0|2,0,0]=4 2172 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2173 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2174 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2175 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [1,1,0,0,0,0|2,0,0]=4 2176 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [1,1,0,0,0,0|2,0,0]=4 2177 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [1,1,0,0,0,0|2,0,0]=4 2178 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [1,1,0,0,0,0|2,0,0]=4 2179 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [1,1,0,0,0,0|2,0,0]=4 2180 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [1,1,0,0,0,0|2,0,0]=4 2181 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [1,1,0,0,0,0|2,0,0]=4 2183 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [1,1,0,0,0,0|2,0,0]=4 2184 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [1,1,0,0,0,0|2,0,0]=4 2185 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [1,1,0,0,0,0|2,0,0]=4 2186 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|2,0,0]=4 2192 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|2,0,0]=4 2193 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|2,0,0]=4 2194 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|2,0,0]=4 2195 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|2,0,0]=4 2197 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|1,0,0]=3 2198 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|1,0,0]=3 2199 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|1,0,0]=3 2200 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|2,0,0]=4 2201 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|2,0,0]=4 2203 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|2,0,0]=4 2204 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [1,1,0,0,0,0|2,0,0]=4 2205 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [1,1,0,0,0,0|2,0,0]=4 2206 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [1,1,0,0,0,0|2,0,0]=4 2208 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [1,1,0,0,0,0|2,0,0]=4 2209 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,1,0,0,0,0|2,0,0]=4 2213 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [1,1,0,0,0,0|2,0,0]=4 2214 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [1,1,0,0,0,0|1,0,0]=3 2215 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [1,1,0,0,0,0|1,0,0]=3 2216 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [1,1,0,0,0,0|1,0,0]=3 2217 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [1,1,0,0,0,0|1,0,0]=3 2218 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [1,1,0,0,0,0|1,0,0]=3 2219 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [1,1,0,0,0,0|1,0,0]=3 2220 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [1,1,0,0,0,0|1,0,0]=3 2221 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [1,1,0,0,0,0|1,0,0]=3 2222 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [1,1,0,0,0,0|1,0,0]=3 2223 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [1,1,0,0,0,0|1,0,0]=3 2224 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [1,1,0,0,0,0|1,0,0]=3 2225 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [1,1,0,0,0,0|1,0,0]=3 2226 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [1,1,0,0,0,0|1,0,0]=3 2227 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [1,1,0,0,0,0|1,0,0]=3 2228 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [1,1,0,0,0,0|1,0,0]=3 2229 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [1,1,0,0,0,0|0,0,0]=2 2230 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [1,1,0,0,0,0|0,0,0]=2 2231 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [1,1,0,0,0,0|0,0,0]=2 2232 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [1,1,0,0,0,0|0,0,0]=2 2233 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [1,1,0,0,0,0|0,0,0]=2 2234 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [1,1,0,0,0,0|1,0,0]=3 2235 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [1,1,0,0,0,0|1,0,0]=3 2236 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [1,1,0,0,0,0|1,0,0]=3 2237 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [1,1,0,0,0,0|1,0,0]=3 2238 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [1,1,0,0,0,0|1,0,0]=3 2239 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [1,1,0,0,0,0|1,0,0]=3 2240 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [1,1,0,0,0,0|1,0,0]=3 2241 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [1,1,0,0,0,0|1,0,0]=3 2242 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [1,1,0,0,0,0|1,0,0]=3 2243 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [1,1,0,0,0,0|0,0,0]=2 2244 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [1,1,0,0,0,0|0,0,0]=2 2245 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [1,1,0,0,0,0|0,0,0]=2 2246 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,1,0,0,0,0|2,0,0]=4 2247 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [1,1,0,0,0,0|2,0,0]=4 2248 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|2,0,0]=4 2249 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [1,1,0,0,0,0|1,0,0]=3 2250 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [1,1,0,0,0,0|1,0,0]=3 2251 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|2,0,0]=4 2252 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|2,0,0]=4 2253 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|1,0,0]=3 2257 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [1,1,0,0,0,0|0,0,0]=2 2261 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [1,1,0,0,0,0|0,0,0]=2 2262 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,1,0,0,0,0|1,0,1]=4 2263 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [1,1,0,0,0,0|2,0,0]=4 2264 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [1,1,0,0,0,0|2,0,0]=4 2265 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [1,1,0,0,0,0|2,0,0]=4 2267 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [1,1,0,0,0,0|2,0,0]=4 2268 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [1,1,0,0,0,0|2,0,0]=4 2269 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|1,0,1]=4 2271 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|1,0,1]=4 2272 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|1,0,1]=4 2273 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|1,0,1]=4 2274 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|1,0,1]=4 2275 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|1,0,1]=4 2276 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|1,0,1]=4 2277 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|1,0,1]=4 2278 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|1,0,1]=4 2279 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 2280 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 2281 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|1,0,1]=4 2282 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|1,0,1]=4 2283 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 2284 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 2285 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|1,0,1]=4 2286 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|0,0,1]=3 2287 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|0,0,1]=3 2288 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|0,0,1]=3 2289 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|0,0,1]=3 2290 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [1,1,0,0,0,0|1,0,1]=4 2291 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [1,1,0,0,0,0|1,0,0]=3 2292 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [1,1,0,0,0,0|1,0,0]=3 2293 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [1,1,0,0,0,0|1,0,0]=3 2294 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [1,1,0,0,0,0|1,0,0]=3 2295 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [1,1,0,0,0,0|0,0,0]=2 2296 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [1,1,0,0,0,0|0,0,0]=2 2297 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [1,1,0,0,0,0|0,0,0]=2 2298 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|1,0,1]=4 2299 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [1,1,0,0,0,0|2,0,0]=4 2300 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [1,1,0,0,0,0|2,0,0]=4 2301 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [1,1,0,0,0,0|2,0,0]=4 2302 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [1,1,0,0,0,0|2,0,0]=4 2303 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [1,1,0,0,0,0|2,0,0]=4 2304 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [1,1,0,0,0,0|2,0,0]=4 2305 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [1,1,0,0,0,0|2,0,0]=4 2306 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [1,1,0,0,0,0|2,0,0]=4 2307 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [1,1,0,0,0,0|1,0,0]=3 2308 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [1,1,0,0,0,0|2,0,0]=4 2309 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [1,1,0,0,0,0|2,0,0]=4 2310 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [1,1,0,0,0,0|2,0,0]=4 2311 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [1,1,0,0,0,0|2,0,0]=4 2312 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [1,1,0,0,0,0|2,0,0]=4 2313 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [1,1,0,0,0,0|1,0,0]=3 2314 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [1,1,0,0,0,0|2,0,0]=4 2315 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [1,1,0,0,0,0|2,0,0]=4 2316 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [1,1,0,0,0,0|2,0,0]=4 2317 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [1,1,0,0,0,0|2,0,0]=4 2318 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [1,1,0,0,0,0|2,0,0]=4 2319 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [1,1,0,0,0,0|1,0,0]=3 2320 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [1,1,0,0,0,0|2,0,0]=4 2321 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [1,1,0,0,0,0|2,0,0]=4 2322 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [1,1,0,0,0,0|2,0,0]=4 2323 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [1,1,0,0,0,0|2,0,0]=4 2324 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [1,1,0,0,0,0|2,0,0]=4 2325 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [1,1,0,0,0,0|1,0,0]=3 2326 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [1,1,0,0,0,0|2,0,0]=4 2327 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [1,1,0,0,0,0|2,0,0]=4 2328 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [1,1,0,0,0,0|2,0,0]=4 2330 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [1,1,0,0,0,0|2,0,0]=4 2331 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [1,1,0,0,0,0|1,0,0]=3 2332 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [1,1,0,0,0,0|2,0,0]=4 2334 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [1,1,0,0,0,0|2,0,0]=4 2335 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [1,1,0,0,0,0|2,0,0]=4 2336 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [1,1,0,0,0,0|1,0,0]=3 2337 B12R1.69 CCCCc1ccc(nc1C)O 271570a_100020621405_100000691680 [1,1,0,0,0,0|2,0,0]=4 2338 B12R1.69 CCCCc1ccc(nc1F)O 271570a_100020621405_100009879308 [1,1,0,0,0,0|2,0,0]=4 2339 B12R1.69 CCCCc1cnc(cc1C)O 271570a_100020621405_100010114363 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.69 CCCCc1ncc(cc1C)O 271570a_100020621405_100012000486 [1,1,0,0,0,0|2,0,0]=4 2341 B12R1.69 CCCCc1ncc(cc1F)O 271570a_100020621405_100000063512 [1,1,0,0,0,0|2,0,0]=4 2342 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [1,1,0,0,0,0|2,0,0]=4 2344 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [1,1,0,0,0,0|2,0,0]=4 2345 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [1,1,0,0,0,0|2,0,0]=4 2346 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [1,1,0,0,0,0|2,0,0]=4 2347 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [1,1,0,0,0,0|2,0,0]=4 2348 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [1,1,0,0,0,0|2,0,0]=4 2349 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [1,1,0,0,0,0|2,0,0]=4 2350 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [1,1,0,0,0,0|2,0,0]=4 2351 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [1,1,0,0,0,0|2,0,0]=4 2352 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [1,1,0,0,0,0|2,0,0]=4 2354 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [1,1,0,0,0,0|2,0,0]=4 2355 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [1,1,0,0,0,0|2,0,0]=4 2356 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [1,1,0,0,0,0|2,0,0]=4 2357 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.69 CCNCc1ccc(cc1Cl)O 34a_200161156549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2359 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [1,1,0,0,0,0|1,0,0]=3 2360 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [1,1,0,0,0,0|1,0,0]=3 2361 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [1,1,0,0,0,0|1,0,0]=3 2362 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [1,1,0,0,0,0|1,0,0]=3 2363 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [1,1,0,0,0,0|1,0,0]=3 2364 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [1,1,0,0,0,0|1,0,0]=3 2365 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [1,1,0,0,0,0|1,0,0]=3 2366 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [1,1,0,0,0,0|1,0,0]=3 2367 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [1,1,0,0,0,0|1,0,0]=3 2368 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [1,1,0,0,0,0|1,0,0]=3 2369 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [1,1,0,0,0,0|1,0,0]=3 2370 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [1,1,0,0,0,0|1,0,0]=3 2371 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [1,1,0,0,0,0|1,0,0]=3 2372 B12R1.69 CNCCc1ccc(cc1F)F 2230a_100000754870_200000210301 [1,1,0,0,0,0|1,0,0]=3 2373 B12R1.69 CNCCc1ccc(cc1F)F 34a_100000754870_200000210301 [1,1,0,0,0,0|1,0,0]=3 2374 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [1,1,0,0,0,0|2,0,0]=4 2375 B12R1.69 COCCc1ccc(cc1Cl)Br 34a_100013445822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2376 B12R1.69 COCCc1ccc(cc1Cl)Br 7a_100013445822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2377 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2378 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [1,1,0,0,0,0|2,0,0]=4 2379 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2380 B12R1.69 COCCc1ccc(cc1Cl)F 34a_100011962860_200000210301 [1,1,0,0,0,0|2,0,0]=4 2381 B12R1.69 COCCc1ccc(cc1Cl)F 7a_100011962860_200000210301 [1,1,0,0,0,0|2,0,0]=4 2382 B12R1.69 COCCc1ccc(cc1F)Br 34a_100011962869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2383 B12R1.69 COCCc1ccc(cc1F)Br 7a_100011962869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B12R1.69 COCCc1ccc(cc1F)F 34a_100000697962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2385 B12R1.69 COCCc1ccc(cc1F)F 7a_100000697962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2386 B12R1.69 COCCn1ccc(cc1=O)O 271570a_203496583355_200015743058 [1,1,0,0,0,0|2,0,0]=4 2387 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [1,1,0,0,0,0|2,0,0]=4 2388 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000701344_100000766300 [1,1,0,0,0,0|2,0,0]=4 2389 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000766300_100000701344 [1,1,0,0,0,0|2,0,0]=4 2390 B12R1.69 COCSc1ccc(cc1C)O 62a_100000766300_100000690111 [1,1,0,0,0,0|2,0,0]=4 2391 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000047559_100000766300 [1,1,0,0,0,0|2,0,0]=4 2392 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000766300_100000047559 [1,1,0,0,0,0|2,0,0]=4 2393 B12R1.69 COCSc1ccc(cc1F)O 62a_100000755031_100000766300 [1,1,0,0,0,0|2,0,0]=4 2394 B12R1.69 COCSc1ccc(cc1F)O 62a_100000766300_100000755031 [1,1,0,0,0,0|2,0,0]=4 2395 B12R1.69 COCSc1ccc(cc1N)O 62a_100000766300_100011999798 [1,1,0,0,0,0|2,0,0]=4 2396 B12R1.69 COCSc1ccc(cc1N)O 62a_100011999798_100000766300 [1,1,0,0,0,0|2,0,0]=4 2397 B12R1.69 COCSc1ccc(cc1O)O 62a_100000766300_100009813921 [1,1,0,0,0,0|2,0,0]=4 2398 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [1,1,0,0,0,0|2,0,0]=4 2399 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [1,1,0,0,0,0|2,0,0]=4 2400 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [1,1,0,0,0,0|2,0,0]=4 2401 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B12R1.69 CSCNc1ccc(cc1Br)O 34a_100012001276_100011218213 [1,1,0,0,0,0|2,0,0]=4 2403 B12R1.69 CSCNc1ccc(cc1C)O 34a_100000756630_100011218213 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.69 CSCNc1ccc(cc1Cl)O 34a_100011215599_100011218213 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.69 CSCNc1ccc(cc1F)O 34a_100000759473_100011218213 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.69 CSCNc1ccc(cc1I)O 34a_100010084370_100011218213 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.69 CSCNc1ccc(cc1O)O 34a_100000106777_100011218213 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100000701344_100011218213 [1,1,0,0,0,0|2,0,0]=4 2409 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100011218213_100000701344 [1,1,0,0,0,0|2,0,0]=4 2410 B12R1.69 CSCSc1ccc(cc1C)O 62a_100011218213_100000690111 [1,1,0,0,0,0|2,0,0]=4 2411 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100000047559_100011218213 [1,1,0,0,0,0|2,0,0]=4 2412 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100011218213_100000047559 [1,1,0,0,0,0|2,0,0]=4 2413 B12R1.69 CSCSc1ccc(cc1F)O 62a_100000755031_100011218213 [1,1,0,0,0,0|2,0,0]=4 2414 B12R1.69 CSCSc1ccc(cc1F)O 62a_100011218213_100000755031 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011218213_100011999798 [1,1,0,0,0,0|2,0,0]=4 2416 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011999798_100011218213 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.69 CSCSc1ccc(cc1O)O 62a_100011218213_100009813921 [1,1,0,0,0,0|2,0,0]=4 2418 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [1,1,0,0,0,0|1,0,0]=3 2419 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [1,1,0,0,0,0|1,0,0]=3 2420 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [1,1,0,0,0,0|1,0,0]=3 2421 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [1,1,0,0,0,0|1,0,0]=3 2422 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [1,1,0,0,0,0|1,0,0]=3 2423 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [1,1,0,0,0,0|1,0,0]=3 2424 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 2230a_100000754870_200025704644 [1,1,0,0,0,0|1,0,0]=3 2425 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 34a_100000754870_200025704644 [1,1,0,0,0,0|1,0,0]=3 2426 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 34a_100013445822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2427 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 7a_100013445822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2428 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2429 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2430 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 34a_100011962860_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 7a_100011962860_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 34a_100011962869_200025704644 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 7a_100011962869_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 34a_100000697962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2435 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 7a_100000697962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2436 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [1,1,0,0,0,0|2,0,0]=4 2437 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [1,1,0,0,0,0|2,0,0]=4 2438 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [1,1,0,0,0,0|2,0,0]=4 2439 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [1,1,0,0,0,0|1,0,0]=3 2442 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [1,1,0,0,0,0|1,0,0]=3 2443 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [1,1,0,0,0,0|1,0,0]=3 2444 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [1,1,0,0,0,0|1,0,0]=3 2445 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [1,1,0,0,0,0|2,0,0]=4 2446 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [1,1,0,0,0,0|2,0,0]=4 2447 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [1,1,0,0,0,0|2,0,0]=4 2449 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [1,1,0,0,0,0|2,0,0]=4 2450 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [1,1,0,0,0,0|2,0,0]=4 2451 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [1,1,0,0,0,0|2,0,0]=4 2452 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [1,1,0,0,0,0|2,0,0]=4 2454 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [1,1,0,0,0,0|2,0,0]=4 2455 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [1,1,0,0,0,0|2,0,0]=4 2456 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [1,1,0,0,0,0|1,0,0]=3 2457 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2458 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [1,1,0,0,0,0|2,0,0]=4 2459 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2460 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [1,1,0,0,0,0|2,0,0]=4 2461 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2462 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [1,1,0,0,0,0|1,0,0]=3 2464 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [1,1,0,0,0,0|1,0,0]=3 2465 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [1,1,0,0,0,0|1,0,0]=3 2466 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [1,1,0,0,0,0|1,0,0]=3 2467 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [1,1,0,0,0,0|1,0,0]=3 2468 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [1,1,0,0,0,0|1,1,0]=4 2469 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [1,1,0,0,0,0|1,1,0]=4 2470 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [1,1,0,0,0,0|1,1,0]=4 2471 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [1,1,0,0,0,0|1,1,0]=4 2472 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [1,1,0,0,0,0|1,1,0]=4 2473 B12R1.71 CCCCc1ccc(cn1)CO 271570a_100020621405_100009816760 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.71 CCCCc1ccc(nc1)CO 271570a_100020621405_100000754261 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.71 CCCCc1ccc(nc1)OC 271570a_100020621405_100000047065 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [1,1,0,0,0,0|2,0,0]=4 2492 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [1,1,0,0,0,0|2,0,0]=4 2493 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [1,1,0,0,0,0|2,0,0]=4 2494 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [1,1,0,0,0,0|2,0,0]=4 2495 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [1,1,0,0,0,0|2,0,0]=4 2496 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [1,1,0,0,0,0|2,0,0]=4 2497 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [1,1,0,0,0,0|2,0,0]=4 2498 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [1,1,0,0,0,0|2,0,0]=4 2499 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [1,1,0,0,0,0|2,0,0]=4 2500 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [1,1,0,0,0,0|2,0,0]=4 2501 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [1,1,0,0,0,0|1,0,0]=3 2507 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [1,1,0,0,0,0|1,0,0]=3 2508 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [1,1,0,0,0,0|1,0,0]=3 2509 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [1,1,0,0,0,0|1,0,0]=3 2510 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [1,1,0,0,0,0|1,0,0]=3 2511 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [1,1,0,0,0,0|1,0,0]=3 2512 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [1,1,0,0,0,0|1,0,0]=3 2513 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [1,1,0,0,0,0|1,0,0]=3 2514 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [1,1,0,0,0,0|1,0,0]=3 2515 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [1,1,0,0,0,0|0,0,0]=2 2516 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [1,1,0,0,0,0|0,0,0]=2 2517 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [1,1,0,0,0,0|0,0,0]=2 2518 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [1,1,0,0,0,0|0,0,0]=2 2519 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [1,1,0,0,0,0|0,0,0]=2 2520 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [1,1,0,0,0,0|0,0,0]=2 2521 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [1,1,0,0,0,0|0,0,0]=2 2522 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [1,1,0,0,0,0|0,0,0]=2 2523 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [1,1,0,0,0,0|0,1,0]=3 2524 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [1,1,0,0,0,0|0,1,0]=3 2525 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [1,1,0,0,0,0|0,1,0]=3 2526 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [1,1,0,0,0,0|0,1,0]=3 2527 B12R1.71 CNCCc1ccc(nc1)OC 2230a_100011998949_200000210301 [1,1,0,0,0,0|1,0,0]=3 2528 B12R1.71 CNCCc1ccc(nc1)OC 34a_100011998949_200000210301 [1,1,0,0,0,0|1,0,0]=3 2529 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [1,1,0,0,0,0|1,0,0]=3 2536 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [1,1,0,0,0,0|1,0,0]=3 2538 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [1,1,0,0,0,0|1,0,0]=3 2539 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [1,1,0,0,0,0|1,0,0]=3 2540 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [1,1,0,0,0,0|1,0,0]=3 2541 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [1,1,0,0,0,0|1,0,0]=3 2542 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [1,1,0,0,0,0|1,1,0]=4 2543 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [1,1,0,0,0,0|1,1,0]=4 2544 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [1,1,0,0,0,0|1,1,0]=4 2545 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [1,1,0,0,0,0|1,1,0]=4 2546 B12R1.71 COCNc1ccc(cc1)CO 2230a_100011215238_100000766300 [1,1,0,0,0,0|2,0,0]=4 2547 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.71 COCSc1ccc(cc1)CO 62a_100000690907_100000766300 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.71 COCSc1ccc(cc1)CO 62a_100000766300_100000690907 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [1,1,0,0,0,0|2,0,0]=4 2552 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2554 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [1,1,0,0,0,0|2,0,0]=4 2555 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [1,1,0,0,0,0|0,0,0]=2 2557 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [1,1,0,0,0,0|0,0,0]=2 2558 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2559 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2560 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [1,1,0,0,0,0|1,0,0]=3 2561 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [1,1,0,0,0,0|1,0,0]=3 2562 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [1,1,0,0,0,0|1,0,0]=3 2563 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [1,1,0,0,0,0|1,0,0]=3 2564 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [1,1,0,0,0,0|2,0,0]=4 2565 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [1,1,0,0,0,0|2,0,0]=4 2566 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [1,1,0,0,0,0|2,0,0]=4 2567 B12R1.71 COc1ccc(cn1)CCN[13CH3] 2230a_100011998949_200025704644 [1,1,0,0,0,0|1,0,0]=3 2568 B12R1.71 COc1ccc(cn1)CCN[13CH3] 34a_100011998949_200025704644 [1,1,0,0,0,0|1,0,0]=3 2569 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [1,1,0,0,0,0|2,0,0]=4 2570 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2572 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2573 B12R1.71 CSCNc1ccc(cc1)CO 2230a_100011215238_100011218213 [1,1,0,0,0,0|2,0,0]=4 2574 B12R1.71 CSCNc1ccc(cc1)CO 34a_100011215238_100011218213 [1,1,0,0,0,0|2,0,0]=4 2575 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [1,1,0,0,0,0|2,0,0]=4 2576 B12R1.71 CSCSc1ccc(cc1)CO 62a_100000690907_100011218213 [1,1,0,0,0,0|2,0,0]=4 2577 B12R1.71 CSCSc1ccc(cc1)CO 62a_100011218213_100000690907 [1,1,0,0,0,0|2,0,0]=4 2578 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [1,1,0,0,0,0|1,0,0]=3 2579 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [1,1,0,0,0,0|1,0,0]=3 2580 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [1,1,0,0,0,0|2,0,0]=4 2581 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [1,1,0,0,0,0|2,0,0]=4 2592 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [1,1,0,0,0,0|1,0,0]=3 2595 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [1,1,0,0,0,0|2,0,0]=4 2598 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,1,0,0,0,0|1,0,0]=3 2601 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [1,1,0,0,0,0|2,0,0]=4 2602 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [1,1,0,0,0,0|2,0,0]=4 2603 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [1,1,0,0,0,0|2,0,0]=4 2604 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [1,1,0,0,0,0|2,0,0]=4 2605 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [1,1,0,0,0,0|1,0,0]=3 2607 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [1,1,0,0,0,0|2,0,0]=4 2608 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [1,1,0,0,0,0|2,0,0]=4 2609 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [1,1,0,0,0,0|2,0,0]=4 2610 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [1,1,0,0,0,0|2,0,0]=4 2611 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [1,1,0,0,0,0|1,0,0]=3 2613 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [1,1,0,0,0,0|2,0,0]=4 2614 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [1,1,0,0,0,0|2,0,0]=4 2616 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [1,1,0,0,0,0|2,0,0]=4 2617 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [1,1,0,0,0,0|2,0,0]=4 2618 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [1,1,0,0,0,0|1,0,0]=3 2619 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [1,1,0,0,0,0|2,0,0]=4 2620 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [1,1,0,0,0,0|2,0,0]=4 2621 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [1,1,0,0,0,0|2,0,0]=4 2622 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [1,1,0,0,0,0|2,0,0]=4 2623 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [1,1,0,0,0,0|2,0,0]=4 2624 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,1,0,0,0,0|1,0,0]=3 2625 B12R1.385 CCCCc1ccc(c(n1)Br)O 271570a_100020621405_100000725334 [1,1,0,0,0,0|2,0,0]=4 2626 B12R1.385 CCCCc1ccc(c(n1)C)O 271570a_100020621405_100010233687 [1,1,0,0,0,0|2,0,0]=4 2627 B12R1.385 CCCCc1ccc(c(n1)Cl)O 271570a_100020621405_100000721234 [1,1,0,0,0,0|2,0,0]=4 2628 B12R1.385 CCCCc1ccc(c(n1)F)O 271570a_100020621405_100009819667 [1,1,0,0,0,0|2,0,0]=4 2629 B12R1.385 CCCCc1ccc(c(n1)N)O 271570a_100020621405_100000685527 [1,1,0,0,0,0|2,0,0]=4 2630 B12R1.385 CCCCc1cnc(c(c1)C)O 271570a_100020621405_100000685391 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.385 CCCCc1cnc(c(c1)Cl)O 271570a_100020621405_100010238531 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.385 CCCCc1cnc(c(c1)N)O 271570a_100020621405_100000743729 [1,1,0,0,0,0|2,0,0]=4 2633 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [1,1,0,0,0,0|2,0,0]=4 2635 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [1,1,0,0,0,0|2,0,0]=4 2636 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [1,1,0,0,0,0|2,0,0]=4 2637 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2638 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [1,1,0,0,0,0|2,0,0]=4 2644 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [1,1,0,0,0,0|2,0,0]=4 2645 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [1,1,0,0,0,0|2,0,0]=4 2646 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [1,1,0,0,0,0|2,0,0]=4 2647 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [1,1,0,0,0,0|2,0,0]=4 2648 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [1,1,0,0,0,0|2,0,0]=4 2649 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [1,1,0,0,0,0|2,0,0]=4 2650 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.385 CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210202 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [1,1,0,0,0,0|1,0,0]=3 2655 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [1,1,0,0,0,0|1,0,0]=3 2656 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [1,1,0,0,0,0|1,0,0]=3 2657 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [1,1,0,0,0,0|1,0,0]=3 2658 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [1,1,0,0,0,0|1,0,0]=3 2659 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [1,1,0,0,0,0|1,0,0]=3 2660 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [1,1,0,0,0,0|1,0,0]=3 2661 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [1,1,0,0,0,0|1,0,0]=3 2662 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [1,1,0,0,0,0|1,0,0]=3 2663 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [1,1,0,0,0,0|1,0,0]=3 2664 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [1,1,0,0,0,0|1,0,0]=3 2665 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [1,1,0,0,0,0|1,0,0]=3 2666 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [1,1,0,0,0,0|1,0,0]=3 2667 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [1,1,0,0,0,0|1,0,0]=3 2668 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [1,1,0,0,0,0|1,0,0]=3 2669 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [1,1,0,0,0,0|1,0,0]=3 2670 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [1,1,0,0,0,0|1,0,0]=3 2671 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,1,0,0,0,0|0,0,0]=2 2672 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,1,0,0,0,0|0,0,0]=2 2673 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [1,1,0,0,0,0|2,0,0]=4 2687 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100000766300_100012361655 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100012361655_100000766300 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.385 COCSc1ccc(c(c1)C)O 62a_100000766300_100000186361 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100000766300_100012360047 [1,1,0,0,0,0|2,0,0]=4 2691 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100012360047_100000766300 [1,1,0,0,0,0|2,0,0]=4 2692 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000185481_100000766300 [1,1,0,0,0,0|2,0,0]=4 2693 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000766300_100000185481 [1,1,0,0,0,0|2,0,0]=4 2694 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000752626_100000766300 [1,1,0,0,0,0|2,0,0]=4 2695 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000766300_100000752626 [1,1,0,0,0,0|2,0,0]=4 2696 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,1,0,0,0,0|2,0,0]=4 2697 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [1,1,0,0,0,0|2,0,0]=4 2698 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [1,1,0,0,0,0|2,0,0]=4 2699 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2700 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [1,1,0,0,0,0|2,0,0]=4 2701 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [1,1,0,0,0,0|2,0,0]=4 2703 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,1,0,0,0,0|1,0,0]=3 2704 B12R1.385 CSCNc1ccc(c(c1)Br)O 34a_100011534360_100011218213 [1,1,0,0,0,0|2,0,0]=4 2705 B12R1.385 CSCNc1ccc(c(c1)C)O 34a_100011218179_100011218213 [1,1,0,0,0,0|2,0,0]=4 2706 B12R1.385 CSCNc1ccc(c(c1)Cl)O 34a_100000744943_100011218213 [1,1,0,0,0,0|2,0,0]=4 2707 B12R1.385 CSCNc1ccc(c(c1)F)O 34a_100011220035_100011218213 [1,1,0,0,0,0|2,0,0]=4 2708 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,1,0,0,0,0|2,0,0]=4 2709 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100011218213_100012361655 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100012361655_100011218213 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.385 CSCSc1ccc(c(c1)C)O 62a_100011218213_100000186361 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100011218213_100012360047 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100012360047_100011218213 [1,1,0,0,0,0|2,0,0]=4 2714 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100000185481_100011218213 [1,1,0,0,0,0|2,0,0]=4 2715 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100011218213_100000185481 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100000752626_100011218213 [1,1,0,0,0,0|2,0,0]=4 2717 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100011218213_100000752626 [1,1,0,0,0,0|2,0,0]=4 2718 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,1,0,0,0,0|2,0,0]=4 2719 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [1,1,0,0,0,0|1,0,0]=3 2720 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [1,1,0,0,0,0|1,0,0]=3 2721 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2722 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2723 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [1,1,0,0,0,0|1,0,0]=3 2724 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [1,1,0,0,0,0|1,0,0]=3 2725 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [1,1,0,0,0,0|1,0,0]=3 2726 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [1,1,0,0,0,0|1,0,0]=3 2727 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,1,0,0,0,0|0,0,0]=2 2728 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [1,1,0,0,0,0|2,0,0]=4 2729 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [1,1,0,0,0,0|2,0,0]=4 2730 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [1,1,0,0,0,0|2,0,0]=4 2731 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [1,1,0,0,0,0|2,0,0]=4 2732 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [1,1,0,0,0,0|2,0,0]=4 2733 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2735 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2736 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [1,1,0,0,0,0|2,0,0]=4 2737 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [1,1,0,0,0,0|2,0,0]=4 2738 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [1,1,0,0,0,0|2,0,0]=4 2739 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [1,1,0,0,0,0|2,0,0]=4 2743 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [1,1,0,0,0,0|2,0,0]=4 2744 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,1,0,0,0,0|1,0,0]=3 2745 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 2746 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [1,1,0,0,0,0|1,0,1]=4 2747 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 2748 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [1,1,0,0,0,0|1,0,1]=4 2749 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,1,0,0,0,0|1,0,0]=3 2750 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2759 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 2760 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,1,0,0,0,0|1,0,0]=3 2761 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 2762 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,1,0,0,0,0|1,0,0]=3 2763 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2765 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [1,1,0,0,0,0|2,0,0]=4 2766 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 2767 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [1,1,0,0,0,0|2,0,0]=4 2768 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2769 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [1,1,0,0,0,0|1,0,0]=3 2771 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 2772 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [1,1,0,0,0,0|1,0,0]=3 2773 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 2774 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [1,1,0,0,0,0|2,0,0]=4 2775 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2776 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2777 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2778 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2779 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2780 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2781 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2782 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [1,1,0,0,0,0|0,0,2]=4 2783 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [1,1,0,0,0,0|0,0,2]=4 2784 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [1,1,0,0,0,0|0,0,2]=4 2785 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [1,1,0,0,0,0|0,0,2]=4 2786 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [1,1,0,0,0,0|0,0,2]=4 2787 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [1,1,0,0,0,0|0,0,2]=4 2788 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [1,1,0,0,0,0|0,0,2]=4 2789 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [1,1,0,0,0,0|0,0,2]=4 2790 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [1,1,0,0,0,0|0,0,2]=4 2791 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [1,1,0,0,0,0|0,0,2]=4 2792 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [1,1,0,0,0,0|0,0,2]=4 2793 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [1,1,0,0,0,0|0,0,2]=4 2794 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [1,1,0,0,0,0|0,0,2]=4 2795 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [1,1,0,0,0,0|0,0,0]=2 2796 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [1,1,0,0,0,0|0,0,0]=2 2797 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [1,1,0,0,0,0|0,0,0]=2 2798 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [1,1,0,0,0,0|2,0,0]=4 2799 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [1,1,0,0,0,0|2,0,0]=4 2800 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [1,1,0,0,0,0|2,0,0]=4 2801 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2802 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2803 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [1,1,0,0,0,0|0,0,0]=2 2804 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [1,1,0,0,0,0|0,0,0]=2 2805 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [1,1,0,0,0,0|2,0,0]=4 2807 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2808 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|1,0,0]=3 2809 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 2810 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,1,0,0,0,0|2,0,0]=4 2812 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,1,0,0,0,0|2,0,0]=4 2813 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,1,0,0,0,0|2,0,0]=4 2815 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 2817 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,1,0,0,0,0|2,0,0]=4 2818 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,1,0,0,0,0|2,0,0]=4 2819 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,1,0,0,0,0|2,0,0]=4 2820 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 2821 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,0]=3 2822 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,0]=3 2823 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 2824 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,1,0,0,0,0|0,0,0]=2 2825 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,1,0,0,0,0|0,0,0]=2 2826 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [1,1,0,0,0,0|1,0,0]=3 2827 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [1,1,0,0,0,0|1,0,0]=3 2828 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,1,0,0,0,0|0,0,0]=2 2829 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,1,0,0,0,0|2,0,0]=4 2832 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,1,0,0,0,0|1,0,0]=3 2833 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,1,0,0,0,0|1,0,0]=3 2835 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,1,0,0,0,0|2,0,0]=4 2836 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,1,0,0,0,0|2,0,0]=4 2837 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,1,0,0,0,0|1,0,0]=3 2838 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,1,0,0,0,0|1,0,0]=3 2839 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,1,0,0,0,0|1,0,0]=3 2840 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,1,0,0,0,0|1,0,0]=3 2841 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 2842 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [1,1,0,0,0,0|0,0,2]=4 2843 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|1,0,0]=3 2844 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|0,0,0]=2 2845 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 2846 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [1,1,0,0,0,0|1,0,1]=4 2847 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 2848 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|0,0,0]=2 2849 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|0,0,0]=2 2850 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [1,1,0,0,0,0|0,0,2]=4 2851 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|1,0,0]=3 2852 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,1,0,0,0,0|2,0,0]=4 2854 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,1,0,0,0,0|2,0,0]=4 2855 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|1,0,0]=3 2857 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|1,0,0]=3 2858 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [1,1,0,0,0,0|1,0,0]=3 2864 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [1,1,0,0,0,0|1,0,0]=3 2865 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [1,1,0,0,0,0|1,0,0]=3 2866 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [1,1,0,0,0,0|1,0,0]=3 2867 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|0,0,0]=2 2868 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|1,0,0]=3 2870 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|1,0,0]=3 2871 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,1,0,0,0,0|1,0,1]=4 2872 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [1,1,0,0,0,0|1,0,1]=4 2873 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 2874 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 2875 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [1,1,0,0,0,0|1,0,1]=4 2876 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|1,0,1]=4 2877 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 2878 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 2879 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|1,0,1]=4 2880 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,1,0,0,0,0|0,0,1]=3 2881 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 2882 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|0,0,2]=4 2883 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,1,0,0,0,0|1,0,0]=3 2886 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,1,0,0,0,0|0,0,0]=2 2890 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,1,0,0,0,0|1,0,0]=3 2891 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,1,0,0,0,0|0,0,0]=2 2892 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2893 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [1,1,0,0,0,0|1,0,0]=3 2894 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [1,1,0,0,0,0|1,0,1]=4 2895 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 2896 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [1,1,0,0,0,0|1,1,0]=4 2897 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,1,0,0,0,0|2,0,0]=4 2900 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,1,0,0,0,0|2,0,0]=4 2901 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [1,1,0,0,0,0|1,0,0]=3 2904 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|1,0,0]=3 2909 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|1,0,0]=3 2910 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|1,0,0]=3 2911 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,1,0,0,0,0|2,0,0]=4 2912 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|2,0,0]=4 2913 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 2914 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,1,0,0,0,0|1,0,0]=3 2915 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,1,0,0,0,0|1,0,0]=3 2916 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,1,0,0,0,0|0,0,2]=4 2917 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 2918 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [1,1,0,0,0,0|0,0,0]=2 2919 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [1,1,0,0,0,0|0,0,0]=2 2920 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,1,0,0,0,0|1,0,1]=4 2921 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [1,1,0,0,0,0|0,0,0]=2 2922 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 2923 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [1,1,0,0,0,0|0,0,0]=2 2924 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [1,1,0,0,0,0|0,0,2]=4 2926 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 2927 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [1,1,0,0,0,0|0,0,2]=4 2928 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [1,1,0,0,0,0|0,0,2]=4 2929 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [1,1,0,0,0,0|0,0,2]=4 2930 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [1,1,0,0,0,0|0,0,2]=4 2931 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [1,1,0,0,0,0|0,0,2]=4 2932 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [1,1,0,0,0,0|0,0,2]=4 2933 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [1,1,0,0,0,0|0,0,0]=2 2934 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 2935 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [1,1,0,0,0,0|0,0,0]=2 2936 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [1,1,0,0,0,0|2,0,0]=4 2939 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [1,1,0,0,0,0|0,0,0]=2 2940 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 2941 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [1,1,0,0,0,0|0,0,0]=2 2942 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [1,1,0,0,0,0|2,0,0]=4 2943 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2944 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [1,1,0,0,0,0|2,0,0]=4 2946 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2947 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [1,1,0,0,0,0|2,0,0]=4 2948 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2951 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [1,1,0,0,0,0|1,0,0]=3 2952 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [1,1,0,0,0,0|1,0,0]=3 2953 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.5 C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100011290941_100025736560 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [1,1,0,0,0,0|1,0,0]=3 2956 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [1,1,0,0,0,0|0,0,2]=4 2957 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [1,1,0,0,0,0|0,0,2]=4 2958 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [1,1,0,0,0,0|0,0,2]=4 2959 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [1,1,0,0,0,0|0,0,2]=4 2960 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [1,1,0,0,0,0|0,0,2]=4 2961 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [1,1,0,0,0,0|0,0,2]=4 2962 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [1,1,0,0,0,0|2,0,0]=4 2964 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [1,1,0,0,0,0|2,0,0]=4 2965 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [1,1,0,0,0,0|1,0,0]=3 2969 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [1,1,0,0,0,0|1,0,0]=3 2970 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [1,1,0,0,0,0|1,0,0]=3 2971 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [1,1,0,0,0,0|1,0,0]=3 2972 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [1,1,0,0,0,0|1,1,0]=4 2973 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [1,1,0,0,0,0|1,1,0]=4 2974 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [1,1,0,0,0,0|1,1,0]=4 2975 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [1,1,0,0,0,0|1,1,0]=4 2976 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [1,1,0,0,0,0|1,0,0]=3 2977 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [1,1,0,0,0,0|1,0,0]=3 2978 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [1,1,0,0,0,0|0,1,0]=3 2979 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [1,1,0,0,0,0|0,1,0]=3 2980 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [1,1,0,0,0,0|0,1,0]=3 2981 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [1,1,0,0,0,0|0,1,0]=3 2982 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [1,1,0,0,0,0|2,0,0]=4 2984 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [1,1,0,0,0,0|2,0,0]=4 2985 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [1,1,0,0,0,0|1,1,0]=4 2986 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [1,1,0,0,0,0|1,1,0]=4 2987 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [1,1,0,0,0,0|1,1,0]=4 2988 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [1,1,0,0,0,0|1,1,0]=4 2989 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [1,1,0,0,0,0|2,0,0]=4 2990 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [1,1,0,0,0,0|2,0,0]=4 2991 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [1,1,0,0,0,0|2,0,0]=4 2992 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [1,1,0,0,0,0|2,0,0]=4 2993 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [1,1,0,0,0,0|2,0,0]=4 2994 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [1,1,0,0,0,0|0,0,2]=4 2995 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [1,1,0,0,0,0|0,0,2]=4 2996 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [1,1,0,0,0,0|0,0,2]=4 2997 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [1,1,0,0,0,0|0,0,2]=4 2998 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [1,1,0,0,0,0|0,0,2]=4 2999 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [1,1,0,0,0,0|0,0,2]=4 3000 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [1,1,0,0,0,0|0,0,2]=4 3001 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [1,1,0,0,0,0|0,0,2]=4 3002 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [1,1,0,0,0,0|0,0,2]=4 3003 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [1,1,0,0,0,0|0,0,2]=4 3004 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [1,1,0,0,0,0|1,0,0]=3 3006 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [1,1,0,0,0,0|1,0,0]=3 3007 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [1,1,0,0,0,0|1,1,0]=4 3008 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [1,1,0,0,0,0|1,1,0]=4 3009 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [1,1,0,0,0,0|1,1,0]=4 3010 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [1,1,0,0,0,0|1,1,0]=4 3011 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [1,1,0,0,0,0|1,1,0]=4 3012 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [1,1,0,0,0,0|1,1,0]=4 3013 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [1,1,0,0,0,0|2,0,0]=4 3014 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3015 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [1,1,0,0,0,0|1,0,0]=3 3017 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3019 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3020 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [1,1,0,0,0,0|1,0,0]=3 3021 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3024 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [1,1,0,0,0,0|0,0,0]=2 3028 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [1,1,0,0,0,0|1,0,0]=3 3029 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [1,1,0,0,0,0|1,1,0]=4 3030 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [1,1,0,0,0,0|0,1,0]=3 3031 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [1,1,0,0,0,0|0,1,0]=3 3032 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [1,1,0,0,0,0|1,1,0]=4 3033 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [1,1,0,0,0,0|1,1,0]=4 3034 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [1,1,0,0,0,0|0,0,0]=2 3037 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [1,1,0,0,0,0|0,1,0]=3 3038 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [1,1,0,0,0,0|0,1,0]=3 3039 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [1,1,0,0,0,0|1,1,0]=4 3040 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [1,1,0,0,0,0|1,1,0]=4 3041 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Br 2230a_100000739617_200025704644 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Cl 2230a_100000750703_200025704644 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 2230a_100015193028_200025704644 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 34a_100015193028_200025704644 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.9 CCC(F)(F)c1ccc(cc1)O 271570a_203496583355_100010208532 [1,1,0,0,0,0|1,0,0]=3 3046 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [1,1,0,0,0,0|1,0,1]=4 3047 B12R1.9 CNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_200000210301 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.9 CNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.9 CNC(C)(C)c1ccc(cc1)F 2230a_100015193028_200000210301 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.9 CNC(C)(C)c1ccc(cc1)F 34a_100015193028_200000210301 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [1,1,0,0,0,0|1,0,1]=4 3054 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [1,1,0,0,0,0|1,0,1]=4 3055 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [1,1,0,0,0,0|1,0,1]=4 3056 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [1,1,0,0,0,0|2,0,0]=4 3067 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [1,1,0,0,0,0|1,0,0]=3 3068 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [1,1,0,0,0,0|1,0,0]=3 3069 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3070 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3071 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3072 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3073 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [1,1,0,0,0,0|1,0,0]=3 3074 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [1,1,0,0,0,0|1,0,0]=3 3075 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [1,1,0,0,0,0|1,0,0]=3 3076 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3077 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3078 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3079 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3080 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [1,1,0,0,0,0|1,0,0]=3 3081 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [1,1,0,0,0,0|1,0,0]=3 3082 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [1,1,0,0,0,0|1,0,0]=3 3083 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [1,1,0,0,0,0|1,0,0]=3 3084 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3085 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3086 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [1,1,0,0,0,0|1,0,0]=3 3087 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [1,1,0,0,0,0|1,0,0]=3 3088 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [1,1,0,0,0,0|1,0,0]=3 3089 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [1,1,0,0,0,0|1,0,0]=3 3090 B12R1.12 CCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.12 CCN(CC)c1ccc(cc1)O 269982a_100011337800_100000204670 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.12 CCN(CC)c1ccc(cc1)O 271570a_203496583355_100011216415 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.12 CCN(CC)c1ccc(cc1)O 34a_100011337800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.12 CCN(CF)c1ccc(cc1)O 269982a_100011337800_100015361967 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.12 CCN(CF)c1ccc(cc1)O 34a_100011337800_100015361967 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [1,1,0,0,0,0|1,0,0]=3 3108 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,1,0,0,0,0|1,0,0]=3 3109 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [1,1,0,0,0,0|1,0,0]=3 3110 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [1,1,0,0,0,0|1,0,0]=3 3111 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [1,1,0,0,0,0|1,0,0]=3 3112 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|1,0,0]=3 3113 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [1,1,0,0,0,0|1,0,0]=3 3114 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,1,0,0,0,0|1,0,0]=3 3115 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [1,1,0,0,0,0|1,0,0]=3 3118 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [1,1,0,0,0,0|1,0,0]=3 3119 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [1,1,0,0,0,0|1,0,0]=3 3120 B12R1.12 COC(OC)c1ccc(cn1)O 271570a_203496583355_100010270258 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [1,1,0,0,0,0|1,0,0]=3 3124 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|1,0,0]=3 3125 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [1,1,0,0,0,0|1,0,0]=3 3129 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,1,0,0,0,0|1,0,0]=3 3130 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [1,1,0,0,0,0|1,0,0]=3 3131 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [1,1,0,0,0,0|1,0,0]=3 3132 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [1,1,0,0,0,0|1,0,0]=3 3133 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,1,0,0,0,0|1,0,0]=3 3134 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [1,1,0,0,0,0|1,0,0]=3 3138 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,1,0,0,0,0|1,0,1]=4 3141 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [1,1,0,0,0,0|1,0,1]=4 3142 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [1,1,0,0,0,0|1,0,1]=4 3143 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,1,0,0,0,0|0,0,1]=3 3144 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [1,1,0,0,0,0|1,0,1]=4 3145 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,1,0,0,0,0|1,0,1]=4 3146 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,1,0,0,0,0|1,0,1]=4 3147 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [1,1,0,0,0,0|0,0,2]=4 3148 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [1,1,0,0,0,0|0,0,2]=4 3149 B12R1.20 CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000210206 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.20 CC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000210206 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.20 CC(C)S(=O)c1ccc(cc1)O 271570a_203496583355_100010749287 [1,1,0,0,0,0|1,0,1]=4 3152 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [1,1,0,0,0,0|1,0,0]=3 3153 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3156 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [1,1,0,0,0,0|2,0,0]=4 3157 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3159 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [1,1,0,0,0,0|2,0,0]=4 3161 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [1,1,0,0,0,0|2,0,0]=4 3163 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [1,1,0,0,0,0|2,0,0]=4 3164 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [1,1,0,0,0,0|2,0,0]=4 3165 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [1,1,0,0,0,0|2,0,0]=4 3167 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 3168 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [1,1,0,0,0,0|2,0,0]=4 3169 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [1,1,0,0,0,0|0,0,2]=4 3174 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [1,1,0,0,0,0|0,0,2]=4 3175 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [1,1,0,0,0,0|0,0,2]=4 3176 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [1,1,0,0,0,0|1,0,1]=4 3179 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [1,1,0,0,0,0|1,0,1]=4 3181 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,1,0,0,0,0|0,0,1]=3 3182 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,1,0,0,0,0|1,0,1]=4 3183 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [1,1,0,0,0,0|2,0,0]=4 3186 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [1,1,0,0,0,0|2,0,0]=4 3187 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,1,0,0,0,0|0,0,2]=4 3188 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,1,0,0,0,0|0,0,2]=4 3189 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,1,0,0,0,0|0,0,2]=4 3190 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,1,0,0,0,0|0,0,2]=4 3191 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,1,0,0,0,0|0,0,2]=4 3192 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,1,0,0,0,0|0,0,2]=4 3193 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,1,0,0,0,0|0,0,2]=4 3194 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,1,0,0,0,0|0,0,2]=4 3195 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,1,0,0,0,0|0,0,2]=4 3196 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,1,0,0,0,0|0,0,2]=4 3197 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,1,0,0,0,0|0,0,2]=4 3198 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,1,0,0,0,0|0,0,2]=4 3199 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,1,0,0,0,0|0,0,2]=4 3200 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,1,0,0,0,0|0,0,2]=4 3201 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,1,0,0,0,0|0,0,2]=4 3202 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,1,0,0,0,0|0,0,2]=4 3203 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [1,1,0,0,0,0|2,0,0]=4 3208 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [1,1,0,0,0,0|1,0,0]=3 3209 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [1,1,0,0,0,0|2,0,0]=4 3210 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,1,0,0,0,0|1,0,0]=3 3216 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [1,1,0,0,0,0|2,0,0]=4 3217 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3218 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [1,1,0,0,0,0|2,0,0]=4 3222 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [1,1,0,0,0,0|1,0,0]=3 3225 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [1,1,0,0,0,0|2,0,0]=4 3226 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [1,1,0,0,0,0|1,0,0]=3 3232 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [1,1,0,0,0,0|2,0,0]=4 3237 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [1,1,0,0,0,0|2,0,0]=4 3240 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [1,1,0,0,0,0|2,0,0]=4 3241 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3244 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [1,1,0,0,0,0|2,0,0]=4 3262 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [1,1,0,0,0,0|2,0,0]=4 3263 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [1,1,0,0,0,0|0,0,2]=4 3264 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3267 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [1,1,0,0,0,0|2,0,0]=4 3269 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [1,1,0,0,0,0|2,0,0]=4 3270 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [1,1,0,0,0,0|0,0,2]=4 3271 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [1,1,0,0,0,0|0,0,2]=4 3272 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [1,1,0,0,0,0|0,0,2]=4 3273 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [1,1,0,0,0,0|0,0,2]=4 3274 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [1,1,0,0,0,0|0,0,2]=4 3275 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [1,1,0,0,0,0|0,0,2]=4 3276 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [1,1,0,0,0,0|0,0,2]=4 3277 B12R1.1703 CCN(C)c1ccc(cc1C)O 269982a_100161107805_100000204670 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.1703 CCN(C)c1ccc(cc1C)O 34a_100161107805_100000210202 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [1,1,0,0,0,0|0,0,2]=4 3280 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [1,1,0,0,0,0|0,0,2]=4 3281 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [1,1,0,0,0,0|0,0,2]=4 3282 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [1,1,0,0,0,0|0,0,2]=4 3283 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [1,1,0,0,0,0|0,0,2]=4 3284 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [1,1,0,0,0,0|0,0,2]=4 3285 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [1,1,0,0,0,0|0,0,2]=4 3286 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [1,1,0,0,0,0|0,0,2]=4 3287 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [1,1,0,0,0,0|0,0,2]=4 3288 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [1,1,0,0,0,0|2,0,0]=4 3289 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [1,1,0,0,0,0|2,0,0]=4 3290 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [1,1,0,0,0,0|2,0,0]=4 3297 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [1,1,0,0,0,0|2,0,0]=4 3299 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [1,1,0,0,0,0|2,0,0]=4 3301 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [1,1,0,0,0,0|2,0,0]=4 3303 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3304 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [1,1,0,0,0,0|2,0,0]=4 3305 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [1,1,0,0,0,0|2,0,0]=4 3306 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [1,1,0,0,0,0|2,0,0]=4 3330 B14R1.33 CC(CNCF)Oc1ccc(cc1)F 34a_200020586543_100015361967 [0,1,0,0,0,1|2,0,0]=4 3331 B14R1.33 CCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011215066 [0,1,0,0,0,1|2,0,0]=4 3332 B14R1.33 CCCCC(C)Sc1ccc(cc1)O 62a_200011215066_100000185759 [0,1,0,0,0,1|2,0,0]=4 3333 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [0,1,0,0,0,1|2,0,0]=4 3334 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [0,1,0,0,0,1|2,0,0]=4 3335 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [0,1,0,0,0,1|2,0,0]=4 3336 B14R1.33 CCNCC(=O)Nc1ccc(cc1)O 2230a_100015525214_100000233757 [0,1,0,0,0,1|0,0,2]=4 3337 B14R1.33 CCNCC(C)Oc1ccc(cc1)C 2230a_100000763606_100000210202 [0,1,0,0,0,1|2,0,0]=4 3338 B14R1.33 CCNCC(C)Oc1ccc(cc1)C 34a_100000763606_100000210202 [0,1,0,0,0,1|2,0,0]=4 3339 B14R1.33 CCNCC(C)Oc1ccc(cc1)F 2230a_100015525214_100010228477 [0,1,0,0,0,1|2,0,0]=4 3340 B14R1.33 CCNCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210202 [0,1,0,0,0,1|2,0,0]=4 3341 B14R1.33 CCNCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210202 [0,1,0,0,0,1|2,0,0]=4 3342 B14R1.33 CNCCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100011302330 [0,1,0,0,0,1|0,0,2]=4 3343 B14R1.33 CNCCC(=O)Nc1ccc(cc1)O 7a_106832991635_100011302330 [0,1,0,0,0,1|0,0,2]=4 3344 B14R1.33 COCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000766300 [0,1,0,0,0,1|2,0,0]=4 3345 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100011218213 [0,1,0,0,0,1|2,0,0]=4 3346 B14R1.33 CSCNC(C)Cc1ccc(cc1)O 34a_100102634573_100011218213 [0,1,0,0,0,1|2,0,0]=4 3347 B14R1.33 Cc1ccc(cc1)OC(C)CNCF 34a_100000763606_100015361967 [0,1,0,0,0,1|2,0,0]=4 3348 B14R1.35 CCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000766640 [0,1,0,0,0,1|2,0,0]=4 3349 B14R1.35 CCCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000766640 [0,1,0,0,0,1|2,0,0]=4 3350 B14R1.35 CCCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000766640 [0,1,0,0,0,1|2,0,0]=4 3351 B14R1.35 COCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000765312 [0,1,0,0,0,1|2,0,0]=4 3352 B14R1.35 COCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000765312 [0,1,0,0,0,1|2,0,0]=4 3353 B14R1.35 COCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100000765312 [0,1,0,0,0,1|2,0,0]=4 3354 B14R1.72 CCCC(CC)Sc1ccc(cc1)O 62a_100011219200_100000185759 [0,1,0,0,0,1|2,0,0]=4 3355 B14R1.72 CCN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_100000210202 [0,1,0,0,0,1|2,0,0]=4 3356 B14R1.72 CCN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_100000210202 [0,1,0,0,0,1|2,0,0]=4 3357 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210202 [0,1,0,0,0,1|1,0,1]=4 3358 B14R1.134 CNC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000731044 [0,1,0,0,0,1|1,0,1]=4 3359 B14R1.134 CNC(=O)C(C)Sc1ccc(cc1)O 62a_100000209862_100000185759 [0,1,0,0,0,1|1,0,1]=4 3360 B14R1.134 CNC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813575 [0,1,0,0,0,1|1,0,1]=4 3361 B14R1.134 CNC(=O)C(F)Sc1ccc(cc1)O 62a_100009813575_100000185759 [0,1,0,0,0,1|1,0,1]=4 3362 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100102657272_100012362158 [0,1,0,0,0,1|1,0,1]=4 3363 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100102657272_100012179405 [0,1,0,0,0,1|1,0,1]=4 3364 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,1,0,0,0,1|0,0,1]=3 3365 B14R1.134 CNC(=O)[C@@H](C)Oc1ccc(cc1)O 240690a_100102657272_100000005562 [0,1,0,0,0,1|1,0,1]=4 3366 B14R1.134 CNC(=O)[C@@H](C)Oc1ccc(cc1)O 527a_100102657272_100000005562 [0,1,0,0,0,1|1,0,1]=4 3367 B14R1.134 CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100102657272_200015644258 [0,1,0,0,0,1|1,0,1]=4 3368 B14R1.698 CC(C)CC(C)Nc1ccc(cc1)O 34a_100000185829_100000731052 [0,1,0,0,0,1|2,0,0]=4 3369 B14R1.698 CC(C)CC(C)Sc1ccc(cc1)O 62a_100000731052_100000185759 [0,1,0,0,0,1|2,0,0]=4 3370 B14R1.698 CC(CN(C)C)Oc1ccc(cc1)F 2230a_100102631434_100010228477 [0,1,0,0,0,1|2,0,0]=4 3371 B14R1.698 CC(CN(C)C)Oc1ccc(cc1)F 269982a_100102631434_100010228477 [0,1,0,0,0,1|2,0,0]=4 3372 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)Br 62a_100000752885_100020606517 [0,1,0,0,0,1|2,0,0]=4 3373 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)Br 62a_100020606517_100000752885 [0,1,0,0,0,1|2,0,0]=4 3374 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)Cl 62a_100000755918_100020606517 [0,1,0,0,0,1|2,0,0]=4 3375 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)Cl 62a_100020606517_100000755918 [0,1,0,0,0,1|2,0,0]=4 3376 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)F 62a_100000211213_100020606517 [0,1,0,0,0,1|2,0,0]=4 3377 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)F 62a_100020606517_100000211213 [0,1,0,0,0,1|2,0,0]=4 3378 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)N 62a_100000185761_100020606517 [0,1,0,0,0,1|2,0,0]=4 3379 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)N 62a_100020606517_100000185761 [0,1,0,0,0,1|2,0,0]=4 3380 B14R1.698 CC(CN(C)C)Sc1ccc(cc1)O 62a_100020606517_100000185759 [0,1,0,0,0,1|1,0,0]=3 3381 B14R1.698 CC(CN(C)C)Sc1ccc(cn1)O 62a_100000685995_100020606517 [0,1,0,0,0,1|2,0,0]=4 3382 B14R1.698 CC(CN(C)C)Sc1ccc(cn1)O 62a_100020606517_100000744096 [0,1,0,0,0,1|2,0,0]=4 3383 B14R1.698 CN(C)CC(=O)Nc1ccc(cc1)O 2230a_100102631434_100000233757 [0,1,0,0,0,1|0,0,2]=4 3384 B14R1.698 CN(C)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000750896 [0,1,0,0,0,1|0,0,2]=4 3385 B14R1.698 CN(C)CC(=O)Nc1ccc(cc1)O 269982a_100102631434_100000233757 [0,1,0,0,0,1|0,0,2]=4 3386 B14R1.698 Cc1ccc(cc1)SC(C)CN(C)C 62a_100000186775_100020606517 [0,1,0,0,0,1|2,0,0]=4 3387 B14R1.698 Cc1ccc(cc1)SC(C)CN(C)C 62a_100020606517_100000186775 [0,1,0,0,0,1|2,0,0]=4 3388 B14R1.954 CCCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000766640 [0,1,0,0,0,1|2,0,0]=4 3389 B14R1.954 CCCC(C)Nc1ccc(cc1)CO 34a_100011215238_100000766640 [0,1,0,0,0,1|2,0,0]=4 3390 B14R1.954 CCCC(C)Nc1ccc(cc1)OC 34a_100000184247_100000766640 [0,1,0,0,0,1|2,0,0]=4 3391 B14R1.954 CCCC(C)Oc1ccc(cc1)CO 34a_100000211755_100000766640 [0,1,0,0,0,1|2,0,0]=4 3392 B14R1.954 CCCC(C)Oc1ccc(cc1)OC 34a_100000210503_100000766640 [0,1,0,0,0,1|2,0,0]=4 3393 B14R1.954 CCCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000766640 [0,1,0,0,0,1|2,0,0]=4 3394 B14R1.954 CCCC(C)Sc1ccc(cc1)CO 62a_100000766640_100000690907 [0,1,0,0,0,1|2,0,0]=4 3395 B14R1.954 CCCC(C)Sc1ccc(cc1)OC 62a_100000766640_100000171711 [0,1,0,0,0,1|2,0,0]=4 3396 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_100025754840_200000210301 [0,1,0,0,0,1|0,0,2]=4 3397 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 2230a_106832991635_100000182860 [0,1,0,0,0,1|0,0,2]=4 3398 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 34a_100102657272_100000182860 [0,1,0,0,0,1|0,0,2]=4 3399 B14R1.954 CNCC(=O)Nc1ccc(cc1)OC 7a_106832991635_100000182860 [0,1,0,0,0,1|0,0,2]=4 3400 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 2230a_106832991635_100010004613 [0,1,0,0,0,1|0,0,2]=4 3401 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 34a_100102657272_100010004613 [0,1,0,0,0,1|0,0,2]=4 3402 B14R1.954 CNCC(=O)Oc1ccc(cc1)OC 7a_106832991635_100010004613 [0,1,0,0,0,1|0,0,2]=4 3403 B14R1.954 CNCC(C)Oc1ccc(cc1)OC 2230a_100000764123_200000210301 [0,1,0,0,0,1|1,0,0]=3 3404 B14R1.954 CNCC(C)Oc1ccc(cc1)OC 34a_100000764123_200000210301 [0,1,0,0,0,1|1,0,0]=3 3405 B14R1.954 COCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000765312 [0,1,0,0,0,1|2,0,0]=4 3406 B14R1.954 COCC(C)Nc1ccc(cc1)CO 34a_100011215238_100000765312 [0,1,0,0,0,1|2,0,0]=4 3407 B14R1.954 COCC(C)Nc1ccc(cc1)OC 34a_100000184247_100000765312 [0,1,0,0,0,1|2,0,0]=4 3408 B14R1.954 COCC(C)Oc1ccc(cc1)CO 34a_100000211755_100000765312 [0,1,0,0,0,1|2,0,0]=4 3409 B14R1.954 COCC(C)Oc1ccc(cc1)OC 34a_100000210503_100000765312 [0,1,0,0,0,1|2,0,0]=4 3410 B14R1.954 COCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000765312 [0,1,0,0,0,1|2,0,0]=4 3411 B14R1.954 COCC(C)Sc1ccc(cc1)CO 62a_100000765312_100000690907 [0,1,0,0,0,1|2,0,0]=4 3412 B14R1.954 COCC(C)Sc1ccc(cc1)OC 62a_100000765312_100000171711 [0,1,0,0,0,1|2,0,0]=4 3413 B14R1.954 COc1ccc(cc1)NC(=O)CN[13CH3] 2230a_100025754840_200025704644 [0,1,0,0,0,1|0,0,2]=4 3414 B14R1.954 COc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000764123_200025704644 [0,1,0,0,0,1|1,0,0]=3 3415 B14R1.954 COc1ccc(cc1)OC(C)CN[13CH3] 34a_100000764123_200025704644 [0,1,0,0,0,1|1,0,0]=3 3416 B14R1.967 CCCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000766640 [0,1,0,0,0,1|2,0,0]=4 3417 B14R1.967 CCCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000766640 [0,1,0,0,0,1|2,0,0]=4 3418 B14R1.967 CCCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000766640 [0,1,0,0,0,1|2,0,0]=4 3419 B14R1.967 CCCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000766640 [0,1,0,0,0,1|2,0,0]=4 3420 B14R1.967 CCCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000766640 [0,1,0,0,0,1|2,0,0]=4 3421 B14R1.967 CCCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000766640 [0,1,0,0,0,1|2,0,0]=4 3422 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000766640 [0,1,0,0,0,1|2,0,0]=4 3423 B14R1.967 CCCC(C)Sc1ccc(c(c1)Br)O 62a_100000766640_100012361655 [0,1,0,0,0,1|2,0,0]=4 3424 B14R1.967 CCCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000766640 [0,1,0,0,0,1|2,0,0]=4 3425 B14R1.967 CCCC(C)Sc1ccc(c(c1)C)O 62a_100000766640_100000186361 [0,1,0,0,0,1|2,0,0]=4 3426 B14R1.967 CCCC(C)Sc1ccc(c(c1)Cl)O 62a_100000766640_100012360047 [0,1,0,0,0,1|2,0,0]=4 3427 B14R1.967 CCCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000766640 [0,1,0,0,0,1|2,0,0]=4 3428 B14R1.967 CCCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000766640 [0,1,0,0,0,1|2,0,0]=4 3429 B14R1.967 CCCC(C)Sc1ccc(c(c1)F)O 62a_100000766640_100000185481 [0,1,0,0,0,1|2,0,0]=4 3430 B14R1.967 CCCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000766640 [0,1,0,0,0,1|2,0,0]=4 3431 B14R1.967 CCCC(C)Sc1ccc(c(c1)N)O 62a_100000766640_100000752626 [0,1,0,0,0,1|2,0,0]=4 3432 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)O 62a_100000766640_100009813601 [0,1,0,0,0,1|2,0,0]=4 3433 B14R1.967 COCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000765312 [0,1,0,0,0,1|2,0,0]=4 3434 B14R1.967 COCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000765312 [0,1,0,0,0,1|2,0,0]=4 3435 B14R1.967 COCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000765312 [0,1,0,0,0,1|2,0,0]=4 3436 B14R1.967 COCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000765312 [0,1,0,0,0,1|2,0,0]=4 3437 B14R1.967 COCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000765312 [0,1,0,0,0,1|2,0,0]=4 3438 B14R1.967 COCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000765312 [0,1,0,0,0,1|2,0,0]=4 3439 B14R1.967 COCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000765312 [0,1,0,0,0,1|2,0,0]=4 3440 B14R1.967 COCC(C)Sc1ccc(c(c1)Br)O 62a_100000765312_100012361655 [0,1,0,0,0,1|2,0,0]=4 3441 B14R1.967 COCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000765312 [0,1,0,0,0,1|2,0,0]=4 3442 B14R1.967 COCC(C)Sc1ccc(c(c1)C)O 62a_100000765312_100000186361 [0,1,0,0,0,1|2,0,0]=4 3443 B14R1.967 COCC(C)Sc1ccc(c(c1)Cl)O 62a_100000765312_100012360047 [0,1,0,0,0,1|2,0,0]=4 3444 B14R1.967 COCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000765312 [0,1,0,0,0,1|2,0,0]=4 3445 B14R1.967 COCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000765312 [0,1,0,0,0,1|2,0,0]=4 3446 B14R1.967 COCC(C)Sc1ccc(c(c1)F)O 62a_100000765312_100000185481 [0,1,0,0,0,1|2,0,0]=4 3447 B14R1.967 COCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000765312 [0,1,0,0,0,1|2,0,0]=4 3448 B14R1.967 COCC(C)Sc1ccc(c(c1)N)O 62a_100000765312_100000752626 [0,1,0,0,0,1|2,0,0]=4 3449 B14R1.967 COCC(C)Sc1ccc(c(c1)O)O 62a_100000765312_100009813601 [0,1,0,0,0,1|2,0,0]=4 3450 B14R1.6823 CCCC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000766640 [0,1,0,0,0,1|2,0,0]=4 3451 B14R1.6823 CCCC(C)Nc1ccc(cc1C)O 34a_100000756630_100000766640 [0,1,0,0,0,1|2,0,0]=4 3452 B14R1.6823 CCCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000766640 [0,1,0,0,0,1|2,0,0]=4 3453 B14R1.6823 CCCC(C)Nc1ccc(cc1F)O 34a_100000759473_100000766640 [0,1,0,0,0,1|2,0,0]=4 3454 B14R1.6823 CCCC(C)Nc1ccc(cc1I)O 34a_100010084370_100000766640 [0,1,0,0,0,1|2,0,0]=4 3455 B14R1.6823 CCCC(C)Nc1ccc(cc1O)O 34a_100000106777_100000766640 [0,1,0,0,0,1|2,0,0]=4 3456 B14R1.6823 CCCC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000766640 [0,1,0,0,0,1|2,0,0]=4 3457 B14R1.6823 CCCC(C)Sc1ccc(cc1Br)O 62a_100000766640_100000701344 [0,1,0,0,0,1|2,0,0]=4 3458 B14R1.6823 CCCC(C)Sc1ccc(cc1C)O 62a_100000766640_100000690111 [0,1,0,0,0,1|2,0,0]=4 3459 B14R1.6823 CCCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000766640 [0,1,0,0,0,1|2,0,0]=4 3460 B14R1.6823 CCCC(C)Sc1ccc(cc1Cl)O 62a_100000766640_100000047559 [0,1,0,0,0,1|2,0,0]=4 3461 B14R1.6823 CCCC(C)Sc1ccc(cc1F)O 62a_100000755031_100000766640 [0,1,0,0,0,1|2,0,0]=4 3462 B14R1.6823 CCCC(C)Sc1ccc(cc1F)O 62a_100000766640_100000755031 [0,1,0,0,0,1|2,0,0]=4 3463 B14R1.6823 CCCC(C)Sc1ccc(cc1N)O 62a_100000766640_100011999798 [0,1,0,0,0,1|2,0,0]=4 3464 B14R1.6823 CCCC(C)Sc1ccc(cc1N)O 62a_100011999798_100000766640 [0,1,0,0,0,1|2,0,0]=4 3465 B14R1.6823 CCCC(C)Sc1ccc(cc1O)O 62a_100000766640_100009813921 [0,1,0,0,0,1|2,0,0]=4 3466 B14R1.6823 COCC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000765312 [0,1,0,0,0,1|2,0,0]=4 3467 B14R1.6823 COCC(C)Nc1ccc(cc1C)O 34a_100000756630_100000765312 [0,1,0,0,0,1|2,0,0]=4 3468 B14R1.6823 COCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000765312 [0,1,0,0,0,1|2,0,0]=4 3469 B14R1.6823 COCC(C)Nc1ccc(cc1F)O 34a_100000759473_100000765312 [0,1,0,0,0,1|2,0,0]=4 3470 B14R1.6823 COCC(C)Nc1ccc(cc1I)O 34a_100010084370_100000765312 [0,1,0,0,0,1|2,0,0]=4 3471 B14R1.6823 COCC(C)Nc1ccc(cc1O)O 34a_100000106777_100000765312 [0,1,0,0,0,1|2,0,0]=4 3472 B14R1.6823 COCC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000765312 [0,1,0,0,0,1|2,0,0]=4 3473 B14R1.6823 COCC(C)Sc1ccc(cc1Br)O 62a_100000765312_100000701344 [0,1,0,0,0,1|2,0,0]=4 3474 B14R1.6823 COCC(C)Sc1ccc(cc1C)O 62a_100000765312_100000690111 [0,1,0,0,0,1|2,0,0]=4 3475 B14R1.6823 COCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000765312 [0,1,0,0,0,1|2,0,0]=4 3476 B14R1.6823 COCC(C)Sc1ccc(cc1Cl)O 62a_100000765312_100000047559 [0,1,0,0,0,1|2,0,0]=4 3477 B14R1.6823 COCC(C)Sc1ccc(cc1F)O 62a_100000755031_100000765312 [0,1,0,0,0,1|2,0,0]=4 3478 B14R1.6823 COCC(C)Sc1ccc(cc1F)O 62a_100000765312_100000755031 [0,1,0,0,0,1|2,0,0]=4 3479 B14R1.6823 COCC(C)Sc1ccc(cc1N)O 62a_100000765312_100011999798 [0,1,0,0,0,1|2,0,0]=4 3480 B14R1.6823 COCC(C)Sc1ccc(cc1N)O 62a_100011999798_100000765312 [0,1,0,0,0,1|2,0,0]=4 3481 B14R1.6823 COCC(C)Sc1ccc(cc1O)O 62a_100000765312_100009813921 [0,1,0,0,0,1|2,0,0]=4 3482 B14R1.21 CCC(NCSC)c1ccc(cc1)O 34a_100015187210_100011218213 [0,2,0,0,0,0|2,0,0]=4 3483 B14R1.21 CCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210303 [0,2,0,0,0,0|2,0,0]=4 3484 B14R1.21 CCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210303 [0,2,0,0,0,0|2,0,0]=4 3485 B14R1.21 CCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210303 [0,2,0,0,0,0|2,0,0]=4 3486 B14R1.21 CCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210303 [0,2,0,0,0,0|2,0,0]=4 3487 B14R1.21 CCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210303 [0,2,0,0,0,0|2,0,0]=4 3488 B14R1.21 CCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210303 [0,2,0,0,0,0|2,0,0]=4 3489 B14R1.21 CCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210303 [0,2,0,0,0,0|2,0,0]=4 3490 B14R1.21 CCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210303 [0,2,0,0,0,0|2,0,0]=4 3491 B14R1.21 CCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210303 [0,2,0,0,0,0|2,0,0]=4 3492 B14R1.21 COCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000766300 [0,2,0,0,0,0|2,0,0]=4 3493 B14R1.21 COCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000766300 [0,2,0,0,0,0|2,0,0]=4 3494 B14R1.21 COCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000766300 [0,2,0,0,0,0|2,0,0]=4 3495 B14R1.21 COCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000766300 [0,2,0,0,0,0|2,0,0]=4 3496 B14R1.21 CSCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100011218213 [0,2,0,0,0,0|2,0,0]=4 3497 B14R1.21 CSCNC(CO)c1ccc(cc1)Br 34a_100000734186_100011218213 [0,2,0,0,0,0|2,0,0]=4 3498 B14R1.21 CSCNC(CO)c1ccc(cc1)F 2230a_100000705410_100011218213 [0,2,0,0,0,0|2,0,0]=4 3499 B14R1.21 CSCNC(CO)c1ccc(cc1)F 34a_100000705410_100011218213 [0,2,0,0,0,0|2,0,0]=4 3500 B14R1.21 CSCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100011218213 [0,2,0,0,0,0|2,0,0]=4 3501 B14R1.21 CSCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100011218213 [0,2,0,0,0,0|2,0,0]=4 3502 B14R1.21 CSCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100011218213 [0,2,0,0,0,0|2,0,0]=4 3503 B14R1.21 CSCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100011218213 [0,2,0,0,0,0|2,0,0]=4 3504 B14R1.191 CCCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000751698 [0,2,0,0,0,0|2,0,0]=4 3505 B14R1.191 CCNC(CO)c1ccc(cc1)OC 2230a_100000751956_100000210202 [0,2,0,0,0,0|2,0,0]=4 3506 B14R1.191 CCNC(CO)c1ccc(cc1)OC 34a_100000751956_100000210202 [0,2,0,0,0,0|2,0,0]=4 3507 B14R1.191 CNCC(OC)c1ccc(cc1)OC 34a_100011290904_200000210301 [0,2,0,0,0,0|0,0,0]=2 3508 B14R1.191 CNCC(O[13CH3])c1ccc(cc1)OC 34a_100011290904_200025704644 [0,2,0,0,0,0|0,0,0]=2 3509 B14R1.503 CCCC(OCC)c1ccc(cc1)Br 34a_100011350873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3510 B14R1.503 CCCC(OCC)c1ccc(cc1)Br 7a_100011350873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3511 B14R1.503 CCCC(OCF)c1ccc(cc1)Br 34a_100011350873_100015361967 [0,2,0,0,0,0|2,0,0]=4 3512 B14R1.503 CCCC(OCF)c1ccc(cc1)Br 7a_100011350873_100015361967 [0,2,0,0,0,0|2,0,0]=4 3513 B14R1.503 CCOC(OCC)c1ccc(cc1)O 271570a_203496583355_100009813404 [0,2,0,0,0,0|2,0,0]=4 3514 B14R1.508 CNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_200000210301 [0,2,0,0,0,0|1,0,0]=3 3515 B14R1.508 [13CH3]NC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_200025704644 [0,2,0,0,0,0|1,0,0]=3 3516 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 11a_106832991635_100012350483 [0,2,0,0,0,0|1,0,1]=4 3517 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 1626a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 3518 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 240690a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 3519 B14R1.710 CNC(=O)C(OC)c1ccc(cc1)Cl 527a_100102657272_100012350483 [0,2,0,0,0,0|1,0,1]=4 3520 B14R1.10 CCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210414_200011996143 [0,2,0,0,0,0|2,0,0]=4 3521 B14R1.10 CCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210414_100000720402 [0,2,0,0,0,0|2,0,0]=4 3522 B14R1.10 CCC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000758301 [0,2,0,0,0,0|2,0,0]=4 3523 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)O 269982a_100000225621_100009814261 [0,2,0,0,0,0|0,0,2]=4 3524 B14R1.10 CCN(C)CC(O)c1ccc(cc1)Cl 2230a_100000225621_200011996143 [0,2,0,0,0,0|1,0,0]=3 3525 B14R1.10 CCN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210202 [0,2,0,0,0,0|0,0,0]=2 3526 B14R1.10 CCN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000204670 [0,2,0,0,0,0|0,0,0]=2 3527 B14R1.10 CCN(C)C[C@H](O)c1ccc(cc1)F 2230a_100000225621_100000720402 [0,2,0,0,0,0|1,0,0]=3 3528 B14R1.10 CN(CF)CC(O)c1ccc(cc1)O 269982a_100016988945_100015361967 [0,2,0,0,0,0|0,0,0]=2 3529 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183359 [0,2,0,0,0,0|0,0,2]=4 3530 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 11a_106832991635_100011240733 [0,2,0,0,0,0|2,0,0]=4 3531 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 1626a_100102657272_100011240733 [0,2,0,0,0,0|2,0,0]=4 3532 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 240690a_100102657272_100011240733 [0,2,0,0,0,0|2,0,0]=4 3533 B14R1.10 CNC(=O)CC(C)c1ccc(cc1)C 527a_100102657272_100011240733 [0,2,0,0,0,0|2,0,0]=4 3534 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000183359 [0,2,0,0,0,0|2,0,0]=4 3535 B14R1.10 CNC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000183359 [0,2,0,0,0,0|2,0,0]=4 3536 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 2708a_100161106496_106832991635 [0,2,0,0,0,0|1,0,1]=4 3537 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100102657272_100161106496 [0,2,0,0,0,0|1,0,1]=4 3538 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100161106496_100102657272 [0,2,0,0,0,0|1,0,1]=4 3539 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_100161106496_100102657272 [0,2,0,0,0,0|1,0,1]=4 3540 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_106832991638_100161106496 [0,2,0,0,0,0|1,0,1]=4 3541 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [0,2,0,0,0,0|2,0,0]=4 3542 B14R1.10 O=C(CO)CC(O)c1ccc(cc1)Cl 1458a_100000210174_200011996143 [0,2,0,0,0,0|2,0,0]=4 3543 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 3544 B14R1.19 C#CCNCC(=O)c1ccc(cc1)O 34a_100000212058_100009814261 [0,2,0,0,0,0|0,0,2]=4 3545 B14R1.19 C#CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000184674 [0,2,0,0,0,0|1,0,0]=3 3546 B14R1.19 C#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000038162 [0,2,0,0,0,0|1,0,0]=3 3547 B14R1.19 C#CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000184674 [0,2,0,0,0,0|1,0,0]=3 3548 B14R1.19 C#CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000038162 [0,2,0,0,0,0|1,0,0]=3 3549 B14R1.19 C#CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000184674 [0,2,0,0,0,0|1,0,0]=3 3550 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000038162 [0,2,0,0,0,0|1,0,0]=3 3551 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 34a_100000212058_200011996143 [0,2,0,0,0,0|1,0,0]=3 3552 B14R1.19 C#CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000184674 [0,2,0,0,0,0|1,0,0]=3 3553 B14R1.19 C#CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000184674 [0,2,0,0,0,0|0,0,0]=2 3554 B14R1.19 C#CCNC[C@H](O)c1ccc(cc1)F 34a_100000212058_100000720402 [0,2,0,0,0,0|1,0,0]=3 3555 B14R1.19 C#CCOCC(O)c1ccc(cc1)Cl 34a_100000210247_200011996143 [0,2,0,0,0,0|2,0,0]=4 3556 B14R1.19 C#CCOC[C@H](O)c1ccc(cc1)F 34a_100000210247_100000720402 [0,2,0,0,0,0|2,0,0]=4 3557 B14R1.19 C#CCSCC(O)c1ccc(cc1)Cl 62a_100000038162_200011996143 [0,2,0,0,0,0|2,0,0]=4 3558 B14R1.19 C#CCSC[C@H](O)c1ccc(cc1)F 62a_100000038162_100000720402 [0,2,0,0,0,0|2,0,0]=4 3559 B14R1.19 C=CCNCC(C)c1ccc(cc1)O 34a_200015188644_100015514636 [0,2,0,0,0,0|1,0,0]=3 3560 B14R1.19 C=CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210623 [0,2,0,0,0,0|1,0,0]=3 3561 B14R1.19 C=CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100015514636 [0,2,0,0,0,0|1,0,0]=3 3562 B14R1.19 C=CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210623 [0,2,0,0,0,0|1,0,0]=3 3563 B14R1.19 C=CCNCC(O)c1ccc(cc1)C 34a_200020610344_100015514636 [0,2,0,0,0,0|1,0,0]=3 3564 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210623 [0,2,0,0,0,0|1,0,0]=3 3565 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 2230a_100020586998_200011996143 [0,2,0,0,0,0|1,0,0]=3 3566 B14R1.19 C=CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100015514636 [0,2,0,0,0,0|1,0,0]=3 3567 B14R1.19 C=CCNCC(O)c1ccc(cc1)O 34a_100000067596_100015514636 [0,2,0,0,0,0|0,0,0]=2 3568 B14R1.19 C=CCNC[C@H](O)c1ccc(cc1)F 2230a_100020586998_100000720402 [0,2,0,0,0,0|1,0,0]=3 3569 B14R1.19 C=CCOCC(O)c1ccc(cc1)Cl 34a_200000210373_200011996143 [0,2,0,0,0,0|2,0,0]=4 3570 B14R1.19 C=CCOC[C@H](O)c1ccc(cc1)F 34a_200000210373_100000720402 [0,2,0,0,0,0|2,0,0]=4 3571 B14R1.19 C=CCSCC(O)c1ccc(cc1)Cl 62a_100000210623_200011996143 [0,2,0,0,0,0|2,0,0]=4 3572 B14R1.19 C=CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210623 [0,2,0,0,0,0|2,0,0]=4 3573 B14R1.19 C=CCSC[C@H](O)c1ccc(cc1)F 62a_100000210623_100000720402 [0,2,0,0,0,0|2,0,0]=4 3574 B14R1.19 C=CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210623 [0,2,0,0,0,0|2,0,0]=4 3575 B14R1.19 CC#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748600 [0,2,0,0,0,0|2,0,0]=4 3576 B14R1.19 CC(CNCC=O)c1ccc(cc1)O 34a_200015188644_200009817547 [0,2,0,0,0,0|1,0,0]=3 3577 B14R1.19 CC(CNCCF)c1ccc(cc1)O 34a_200015188644_100011217306 [0,2,0,0,0,0|1,0,0]=3 3578 B14R1.19 CC(CNCCO)c1ccc(cc1)O 34a_200015188644_100000211926 [0,2,0,0,0,0|1,0,0]=3 3579 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000070051 [0,2,0,0,0,0|2,0,0]=4 3580 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [0,2,0,0,0,0|2,0,0]=4 3581 B14R1.19 CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210303 [0,2,0,0,0,0|1,0,0]=3 3582 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210303 [0,2,0,0,0,0|1,0,0]=3 3583 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210303 [0,2,0,0,0,0|1,0,0]=3 3584 B14R1.19 CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210303 [0,2,0,0,0,0|1,0,0]=3 3585 B14R1.19 CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210303 [0,2,0,0,0,0|1,0,0]=3 3586 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210303 [0,2,0,0,0,0|1,0,0]=3 3587 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210303 [0,2,0,0,0,0|1,0,0]=3 3588 B14R1.19 CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210303 [0,2,0,0,0,0|0,0,0]=2 3589 B14R1.19 CCCOCC(O)c1ccc(cc1)Cl 34a_100000210258_200011996143 [0,2,0,0,0,0|2,0,0]=4 3590 B14R1.19 CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210258_100000720402 [0,2,0,0,0,0|2,0,0]=4 3591 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_100000210303_200011996143 [0,2,0,0,0,0|2,0,0]=4 3592 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210303 [0,2,0,0,0,0|2,0,0]=4 3593 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000210303_100000720402 [0,2,0,0,0,0|2,0,0]=4 3594 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210303 [0,2,0,0,0,0|2,0,0]=4 3595 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [0,2,0,0,0,0|0,0,2]=4 3596 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 2230a_106832991635_100000039620 [0,2,0,0,0,0|0,0,2]=4 3597 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 7a_106832991635_100000039620 [0,2,0,0,0,0|0,0,2]=4 3598 B14R1.19 COCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011201679 [0,2,0,0,0,0|2,0,0]=4 3599 B14R1.19 COCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000766300 [0,2,0,0,0,0|1,0,0]=3 3600 B14R1.19 COCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000766300 [0,2,0,0,0,0|1,0,0]=3 3601 B14R1.19 COCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000766300 [0,2,0,0,0,0|1,0,0]=3 3602 B14R1.19 COCSCC(O)c1ccc(cc1)Cl 62a_100000766300_200011996143 [0,2,0,0,0,0|2,0,0]=4 3603 B14R1.19 COCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000766300 [0,2,0,0,0,0|2,0,0]=4 3604 B14R1.19 COCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000766300 [0,2,0,0,0,0|2,0,0]=4 3605 B14R1.19 COCSC[C@H](O)c1ccc(cc1)F 62a_100000766300_100000720402 [0,2,0,0,0,0|2,0,0]=4 3606 B14R1.19 CSCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000751147 [0,2,0,0,0,0|2,0,0]=4 3607 B14R1.19 CSCNCC(C)c1ccc(cc1)O 34a_200015188644_100011218213 [0,2,0,0,0,0|1,0,0]=3 3608 B14R1.19 CSCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011218213 [0,2,0,0,0,0|1,0,0]=3 3609 B14R1.19 CSCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011218213 [0,2,0,0,0,0|1,0,0]=3 3610 B14R1.19 CSCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011218213 [0,2,0,0,0,0|1,0,0]=3 3611 B14R1.19 CSCNCC(O)c1ccc(cc1)C 34a_200020610344_100011218213 [0,2,0,0,0,0|1,0,0]=3 3612 B14R1.19 CSCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011218213 [0,2,0,0,0,0|1,0,0]=3 3613 B14R1.19 CSCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011218213 [0,2,0,0,0,0|1,0,0]=3 3614 B14R1.19 CSCNCC(O)c1ccc(cc1)O 34a_100000067596_100011218213 [0,2,0,0,0,0|0,0,0]=2 3615 B14R1.19 CSCSCC(O)c1ccc(cc1)Cl 62a_100011218213_200011996143 [0,2,0,0,0,0|2,0,0]=4 3616 B14R1.19 CSCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011218213 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.19 CSCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011218213 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.19 CSCSC[C@H](O)c1ccc(cc1)F 62a_100011218213_100000720402 [0,2,0,0,0,0|2,0,0]=4 3619 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)O 2230a_100161106496_100011934791 [0,2,0,0,0,0|2,0,0]=4 3620 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)O 2230a_100161106496_100000230001 [0,2,0,0,0,0|2,0,0]=4 3621 B14R1.19 Cc1ccc(cc1)C(O)CNCC#N 2230a_200020610344_100011215382 [0,2,0,0,0,0|1,0,0]=3 3622 B14R1.19 Cc1ccc(cc1)C(O)CNCC=O 2230a_200020610344_200015260668 [0,2,0,0,0,0|1,0,0]=3 3623 B14R1.19 Cc1ccc(cc1)C(O)CNCC=O 34a_200020610344_200009817547 [0,2,0,0,0,0|1,0,0]=3 3624 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 2230a_200020610344_100011217306 [0,2,0,0,0,0|1,0,0]=3 3625 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 34a_200020610344_100011217306 [0,2,0,0,0,0|1,0,0]=3 3626 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 2230a_200020610344_100000211926 [0,2,0,0,0,0|1,0,0]=3 3627 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 34a_200020610344_100000211926 [0,2,0,0,0,0|1,0,0]=3 3628 B14R1.19 N#CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011215382 [0,2,0,0,0,0|1,0,0]=3 3629 B14R1.19 N#CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011215382 [0,2,0,0,0,0|1,0,0]=3 3630 B14R1.19 N#CCSCC(O)c1ccc(cc1)Cl 62a_100011215382_200011996143 [0,2,0,0,0,0|2,0,0]=4 3631 B14R1.19 N#CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100011215382 [0,2,0,0,0,0|2,0,0]=4 3632 B14R1.19 N#CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011215382 [0,2,0,0,0,0|2,0,0]=4 3633 B14R1.19 N#CCSC[C@H](O)c1ccc(cc1)F 62a_100011215382_100000720402 [0,2,0,0,0,0|2,0,0]=4 3634 B14R1.19 NCCOCC(O)c1ccc(cc1)Cl 34a_100000210304_200011996143 [0,2,0,0,0,0|2,0,0]=4 3635 B14R1.19 NCCOC[C@H](O)c1ccc(cc1)F 34a_100000210304_100000720402 [0,2,0,0,0,0|2,0,0]=4 3636 B14R1.19 O=C(CNCCF)c1ccc(cc1)O 34a_100000724931_100009814261 [0,2,0,0,0,0|0,0,2]=4 3637 B14R1.19 O=C(CNCCO)c1ccc(cc1)O 34a_100016990907_100009814261 [0,2,0,0,0,0|0,0,2]=4 3638 B14R1.19 O=CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_200015260668 [0,2,0,0,0,0|1,0,0]=3 3639 B14R1.19 O=CCNCC(O)c1ccc(cc1)Br 34a_100020626992_200009817547 [0,2,0,0,0,0|1,0,0]=3 3640 B14R1.19 O=CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200015260668 [0,2,0,0,0,0|1,0,0]=3 3641 B14R1.19 O=CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_200009817547 [0,2,0,0,0,0|1,0,0]=3 3642 B14R1.19 O=CCNCC(O)c1ccc(cc1)O 34a_100000067596_200009817547 [0,2,0,0,0,0|0,0,0]=2 3643 B14R1.19 O=CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_200015260668 [0,2,0,0,0,0|2,0,0]=4 3644 B14R1.19 O=CCSCC(O)c1ccc(cc1)Cl 62a_200015260668_200011996143 [0,2,0,0,0,0|2,0,0]=4 3645 B14R1.19 O=CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200015260668 [0,2,0,0,0,0|2,0,0]=4 3646 B14R1.19 O=CCSC[C@H](O)c1ccc(cc1)F 62a_200015260668_100000720402 [0,2,0,0,0,0|2,0,0]=4 3647 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 2230a_100020626992_100011217306 [0,2,0,0,0,0|1,0,0]=3 3648 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 34a_100020626992_100011217306 [0,2,0,0,0,0|1,0,0]=3 3649 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 2230a_100000736658_100011217306 [0,2,0,0,0,0|1,0,0]=3 3650 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000724931_200011996143 [0,2,0,0,0,0|1,0,0]=3 3651 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000736658_100011217306 [0,2,0,0,0,0|1,0,0]=3 3652 B14R1.19 OC(COCCBr)c1ccc(cc1)Cl 34a_100000211926_200011996143 [0,2,0,0,0,0|2,0,0]=4 3653 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_100011217306_200011996143 [0,2,0,0,0,0|2,0,0]=4 3654 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_200011996143_100011217306 [0,2,0,0,0,0|2,0,0]=4 3655 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000211926 [0,2,0,0,0,0|1,0,0]=3 3656 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000211926 [0,2,0,0,0,0|1,0,0]=3 3657 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000211926 [0,2,0,0,0,0|1,0,0]=3 3658 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100016997473_200011996143 [0,2,0,0,0,0|1,0,0]=3 3659 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000211926 [0,2,0,0,0,0|1,0,0]=3 3660 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100016990907_200011996143 [0,2,0,0,0,0|1,0,0]=3 3661 B14R1.19 OCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000211926 [0,2,0,0,0,0|0,0,0]=2 3662 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 2230a_100016997473_100000720402 [0,2,0,0,0,0|1,0,0]=3 3663 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 34a_100016990907_100000720402 [0,2,0,0,0,0|1,0,0]=3 3664 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_100000211926_200011996143 [0,2,0,0,0,0|2,0,0]=4 3665 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211926 [0,2,0,0,0,0|2,0,0]=4 3666 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000211926_100000720402 [0,2,0,0,0,0|2,0,0]=4 3667 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211926 [0,2,0,0,0,0|2,0,0]=4 3668 B14R1.19 O[C@@H](CNCCF)c1ccc(cc1)F 34a_100000724931_100000720402 [0,2,0,0,0,0|1,0,0]=3 3669 B14R1.19 O[C@@H](COCCBr)c1ccc(cc1)F 34a_100000211926_100000720402 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100000720402_100011217306 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100011217306_100000720402 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.19 Oc1ccc(cc1)C(O)CNCCF 34a_100000067596_100011217306 [0,2,0,0,0,0|0,0,0]=2 3673 B14R1.125 CCNCC(C)(C)c1ccc(cc1)Br 270004a_100015525214_100010228009 [0,2,0,0,0,0|2,0,0]=4 3674 B14R1.125 CCNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210202 [0,2,0,0,0,0|2,0,0]=4 3675 B14R1.678 C=C(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000748629 [0,2,0,0,0,0|2,0,0]=4 3676 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [0,2,0,0,0,0|1,0,0]=3 3677 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100015343762 [0,2,0,0,0,0|1,0,0]=3 3679 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100103153847 [0,2,0,0,0,0|1,0,0]=3 3680 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100015343762 [0,2,0,0,0,0|1,0,0]=3 3681 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100103153847 [0,2,0,0,0,0|1,0,0]=3 3682 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [0,2,0,0,0,0|1,0,0]=3 3683 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [0,2,0,0,0,0|1,0,0]=3 3684 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [0,2,0,0,0,0|1,0,0]=3 3685 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [0,2,0,0,0,0|0,0,0]=2 3686 B14R1.678 CC(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210760 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.678 CC(C)CN[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000210432 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)O 34a_100138425928_100009814261 [0,2,0,0,0,0|0,0,2]=4 3689 B14R1.678 CC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000210206 [0,2,0,0,0,0|1,0,0]=3 3690 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210206 [0,2,0,0,0,0|1,0,0]=3 3691 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210206 [0,2,0,0,0,0|1,0,0]=3 3692 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210206 [0,2,0,0,0,0|1,0,0]=3 3693 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100138425928_200011996143 [0,2,0,0,0,0|1,0,0]=3 3694 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210206 [0,2,0,0,0,0|1,0,0]=3 3695 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 34a_100138425928_200011996143 [0,2,0,0,0,0|1,0,0]=3 3696 B14R1.678 CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210206 [0,2,0,0,0,0|0,0,0]=2 3697 B14R1.678 CC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100138425928_100000720402 [0,2,0,0,0,0|1,0,0]=3 3698 B14R1.678 CC(C)NC[C@H](O)c1ccc(cc1)F 34a_100138425928_100000720402 [0,2,0,0,0,0|1,0,0]=3 3699 B14R1.678 CC(C)OCC(O)c1ccc(cc1)Cl 34a_100000212225_200011996143 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.678 CC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000212225_100000720402 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.678 CC(C)SCC(O)c1ccc(cc1)Cl 62a_100000210206_200011996143 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.678 CC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210206 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.678 CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000210206_100000720402 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.678 CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210206 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.678 CC(O)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218427 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 2230a_100102631434_100009879949 [0,2,0,0,0,0|0,0,2]=4 3707 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 269982a_100102631434_100009879949 [0,2,0,0,0,0|0,0,2]=4 3708 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 271570a_203496583355_200102510076 [0,2,0,0,0,0|0,0,2]=4 3709 B14R1.678 CN(C)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000755713 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.678 C[C@H](NC[C@@H](C)O)c1ccc(cc1)O 2230a_100161106496_100009817552 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.678 Cc1ccc(cc1)C(O)CNC(C)C 2230a_200020610344_100000210206 [0,2,0,0,0,0|1,0,0]=3 3712 B14R1.678 Cc1ccc(cc1)C(O)CNC(C)C 34a_200020610344_100000210206 [0,2,0,0,0,0|1,0,0]=3 3713 B14R1.926 CCCNC(C)c1ccc(cc1)CO 269862a_100020643023_100000082505 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.926 CCCNC(C)c1ccc(cc1)OC 269862a_100020643023_100000169859 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.926 CCCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210303 [0,2,0,0,0,0|2,0,0]=4 3716 B14R1.926 CCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210303 [0,2,0,0,0,0|2,0,0]=4 3717 B14R1.926 CCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210303 [0,2,0,0,0,0|2,0,0]=4 3718 B14R1.926 CCNCC(=O)c1ccc(cc1)OC 2230a_100015525214_100000212054 [0,2,0,0,0,0|0,0,2]=4 3719 B14R1.926 CCNCC(O)c1ccc(cc1)OC 2230a_100000738651_100000210202 [0,2,0,0,0,0|0,0,0]=2 3720 B14R1.926 CCNCC(O)c1ccc(cc1)OC 34a_100000738651_100000210202 [0,2,0,0,0,0|0,0,0]=2 3721 B14R1.926 CCOCC(N)c1ccc(cc1)OC 34a_100000751956_100000210202 [0,2,0,0,0,0|2,0,0]=4 3722 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000700936 [0,2,0,0,0,0|0,0,2]=4 3723 B14R1.926 CNCCC(=O)c1ccc(cc1)OC 7a_106832991635_100000700936 [0,2,0,0,0,0|0,0,2]=4 3724 B14R1.926 COCCC(N)c1ccc(cc1)OC 34a_100000752340_200000210301 [0,2,0,0,0,0|2,0,0]=4 3725 B14R1.926 COCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000766300 [0,2,0,0,0,0|2,0,0]=4 3726 B14R1.926 COc1ccc(cc1)C(C)OCSC 34a_100000742907_100011218213 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.926 COc1ccc(cc1)C(N)CCO[13CH3] 34a_100000752340_200025704644 [0,2,0,0,0,0|2,0,0]=4 3728 B14R1.926 COc1ccc(cc1)C(N)COCF 34a_100000751956_100015361967 [0,2,0,0,0,0|2,0,0]=4 3729 B14R1.926 COc1ccc(cc1)C(O)CNCF 34a_100000738651_100015361967 [0,2,0,0,0,0|0,0,0]=2 3730 B14R1.926 COc1ccc(cc1)[C@@H](C)NCSC 2230a_100011830352_100011218213 [0,2,0,0,0,0|2,0,0]=4 3731 B14R1.941 CCCNC(C)c1ccc(c(c1)Br)O 269862a_100020643023_100011772453 [0,2,0,0,0,0|2,0,0]=4 3732 B14R1.941 CCCNC(C)c1ccc(c(c1)C)O 269862a_100020643023_100000188726 [0,2,0,0,0,0|2,0,0]=4 3733 B14R1.941 CCCNC(C)c1ccc(c(c1)Cl)O 269862a_100020643023_100000188625 [0,2,0,0,0,0|2,0,0]=4 3734 B14R1.941 CCCNC(C)c1ccc(c(c1)F)O 269862a_100020643023_100000751691 [0,2,0,0,0,0|2,0,0]=4 3735 B14R1.941 CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210202 [0,2,0,0,0,0|0,0,0]=2 3736 B14R1.941 CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100015525214_100000761251 [0,2,0,0,0,0|1,0,0]=3 3737 B14R1.941 CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100121572206_100000761251 [0,2,0,0,0,0|2,0,0]=4 3738 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210202_100000761251 [0,2,0,0,0,0|2,0,0]=4 3739 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210202 [0,2,0,0,0,0|2,0,0]=4 3740 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100000761251_100015361967 [0,2,0,0,0,0|2,0,0]=4 3741 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100015361967_100000761251 [0,2,0,0,0,0|2,0,0]=4 3742 B14R1.941 Oc1ccc(cc1O)C(O)CNCF 34a_100000106456_100015361967 [0,2,0,0,0,0|0,0,0]=2 3743 B14R1.2523 CCNC[C@@H](O)c1ccc(cc1F)F 2230a_100015525214_100000761269 [0,2,0,0,0,0|1,0,0]=3 3744 B14R1.2523 CCNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100015525214_100000761231 [0,2,0,0,0,0|1,0,0]=3 3745 B14R1.2523 CCOC[C@@H](O)c1ccc(cc1F)F 34a_100121572206_100000761269 [0,2,0,0,0,0|2,0,0]=4 3746 B14R1.2523 CCOC[C@H](O)c1ccc(cc1Cl)Cl 34a_100121572206_100000761231 [0,2,0,0,0,0|2,0,0]=4 3747 B14R1.2523 CCSC[C@@H](O)c1ccc(cc1F)F 62a_100000210202_100000761269 [0,2,0,0,0,0|2,0,0]=4 3748 B14R1.2523 CCSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210202 [0,2,0,0,0,0|2,0,0]=4 3749 B14R1.2523 CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210202_100000761231 [0,2,0,0,0,0|2,0,0]=4 3750 B14R1.2523 CCSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210202 [0,2,0,0,0,0|2,0,0]=4 3751 B14R1.2523 O[C@@H](CSCF)c1ccc(cc1Cl)Cl 62a_100000761231_100015361967 [0,2,0,0,0,0|2,0,0]=4 3752 B14R1.2523 O[C@@H](CSCF)c1ccc(cc1Cl)Cl 62a_100015361967_100000761231 [0,2,0,0,0,0|2,0,0]=4 3753 B14R1.2523 O[C@H](CSCF)c1ccc(cc1F)F 62a_100000761269_100015361967 [0,2,0,0,0,0|2,0,0]=4 3754 B14R1.2523 O[C@H](CSCF)c1ccc(cc1F)F 62a_100015361967_100000761269 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.7 CCC(=O)C(O)c1ccc(cc1)OC 1458a_100011218652_100000210202 [0,2,0,0,0,0|1,0,1]=4 3756 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 11a_106832991635_100000753396 [0,2,0,0,0,0|1,0,1]=4 3757 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 1626a_100102657272_100000753396 [0,2,0,0,0,0|1,0,1]=4 3758 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 240690a_100102657272_100000753396 [0,2,0,0,0,0|1,0,1]=4 3759 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 527a_100102657272_100000753396 [0,2,0,0,0,0|1,0,1]=4 3760 B14R1.7 CNC(=O)C(O)c1ccc(cc1)OC 240690a_100102657272_100011218652 [0,2,0,0,0,0|0,0,1]=3 3761 B14R1.7 CNC(C)C(=O)c1ccc(cc1)OC 2230a_106832991635_100000742912 [0,2,0,0,0,0|0,0,2]=4 3762 B14R1.7 CNC(C)C(=O)c1ccc(cc1)OC 7a_106832991635_100000742912 [0,2,0,0,0,0|0,0,2]=4 3763 B14R1.132 CC(C(=O)N(C)C)c1ccc(cc1)O 240690a_100102631434_100000031422 [0,2,0,0,0,0|1,0,1]=4 3764 B14R1.132 CC(C(=O)c1ccc(cc1)O)N(C)C 2230a_100102631434_200010205864 [0,2,0,0,0,0|0,0,2]=4 3765 B14R1.132 CC(C(=O)c1ccc(cc1)O)N(C)C 269982a_100102631434_200010205864 [0,2,0,0,0,0|0,0,2]=4 3766 B14R1.132 CC(C)C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210206 [0,2,0,0,0,0|1,0,1]=4 3767 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)Br 240690a_100102631434_100000756554 [0,2,0,0,0,0|1,0,1]=4 3768 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)F 240690a_100102631434_100000209909 [0,2,0,0,0,0|1,0,1]=4 3769 B14R1.132 CN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100102631434_100011215213 [0,2,0,0,0,0|0,0,1]=3 3770 B14R1.132 CN(C)C(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102631434_100009817493 [0,2,0,0,0,0|1,0,1]=4 3771 B14R1.132 Cc1ccc(cc1)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100009815954 [0,2,0,0,0,0|1,0,1]=4 3772 B14R1.1003 CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210202 [0,2,0,0,0,0|1,0,1]=4 3773 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)F)F 240690a_100102657272_100011217530 [0,2,0,0,0,0|1,0,1]=4 3774 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,2,0,0,0,0|0,0,1]=3 3775 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)O 240690a_100102657272_100000721645 [0,2,0,0,0,0|1,0,1]=4 3776 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)C 240690a_100102657272_100011434902 [0,2,0,0,0,0|1,0,1]=4 3777 B14R1.1013 CNC(=O)C(C)(O)c1ccc(cc1)Cl 240690a_100102657272_100000695402 [0,2,0,0,0,0|1,0,1]=4 3778 B14R1.2819 CNC(=O)C(O)c1ccc(cc1F)Br 240690a_100102657272_100011356516 [0,2,0,0,0,0|1,0,1]=4 3779 B14R1.2819 CNC(=O)C(O)c1ccc(cc1F)F 240690a_100102657272_100011216397 [0,2,0,0,0,0|1,0,1]=4 3780 B14R1.694 CN(C)CC(C)(C)c1ccc(cc1)Br 270004a_100102631434_100010228009 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.694 CN(C)CC(F)(F)c1ccc(cc1)Br 269982a_100102631434_100010185546 [0,2,0,0,0,0|2,0,0]=4 3782 B14R1.3175 CNCC(C)(C)c1ccc(cc1)OC 2230a_100000747246_200000210301 [0,2,0,0,0,0|1,0,0]=3 3783 B14R1.3175 COc1ccc(cc1)C(C)(C)CN[13CH3] 2230a_100000747246_200025704644 [0,2,0,0,0,0|1,0,0]=3 3784 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000747966_200025704644 [0,2,0,0,0,0|2,0,0]=4 3785 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000747966_200025704644 [0,2,0,0,0,0|2,0,0]=4 3786 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 2230a_100000747966_200000210301 [0,2,0,0,0,0|2,0,0]=4 3787 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 34a_100000747966_200000210301 [0,2,0,0,0,0|2,0,0]=4 3788 B14R1.9916 CNCC(F)(F)c1ccc(cc1F)F 2230a_100025771782_200000210301 [0,2,0,0,0,0|2,0,0]=4 3789 B14R1.9916 CNCC(F)(F)c1ccc(cc1F)F 34a_100025771782_200000210301 [0,2,0,0,0,0|2,0,0]=4 3790 B14R1.9916 [13CH3]NCC(F)(F)c1ccc(cc1F)F 2230a_100025771782_200025704644 [0,2,0,0,0,0|2,0,0]=4 3791 B14R1.9916 [13CH3]NCC(F)(F)c1ccc(cc1F)F 34a_100025771782_200025704644 [0,2,0,0,0,0|2,0,0]=4 3792 B14R1.2 CC(C)C[C@H](N)c1ccc(cc1)CO 271570a_100015190218_100000690907 [0,2,0,0,0,0|2,0,0]=4 3793 B14R1.2 COc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000212054 [0,2,0,0,0,0|0,0,2]=4 3794 B14R1.2 COc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000212054 [0,2,0,0,0,0|0,0,2]=4 3795 B14R1.2 COc1ccc(cc1)C(O)CN(C)C 2230a_100011290904_200000210301 [0,2,0,0,0,0|0,0,0]=2 3796 B14R1.2 COc1ccc(cc1)C(O)CN(C)C 269982a_100011290904_200000210301 [0,2,0,0,0,0|0,0,0]=2 3797 B14R1.2 COc1ccc(cc1)C(O)CN(C)[13CH3] 2230a_100011290904_200025704644 [0,2,0,0,0,0|0,0,0]=2 3798 B14R1.2 COc1ccc(cc1)C(O)CN(C)[13CH3] 269982a_100011290904_200025704644 [0,2,0,0,0,0|0,0,0]=2 3799 B14R1.2 COc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000171711 [0,2,0,0,0,0|2,0,0]=4 3800 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 3801 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)O 271570a_100015190218_100012361655 [0,2,0,0,0,0|2,0,0]=4 3802 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)O 271570a_100015190218_100012360047 [0,2,0,0,0,0|2,0,0]=4 3803 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)O 271570a_100015190218_100000185481 [0,2,0,0,0,0|2,0,0]=4 3804 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)O 271570a_100015190218_100000752626 [0,2,0,0,0,0|2,0,0]=4 3805 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)O 271570a_100015190218_100009813601 [0,2,0,0,0,0|2,0,0]=4 3806 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)Cl)O 269982a_100102631434_200010170092 [0,2,0,0,0,0|0,0,2]=4 3807 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100102631434_100000183813 [0,2,0,0,0,0|0,0,2]=4 3808 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100102631434_100000761251 [0,2,0,0,0,0|1,0,0]=3 3809 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100102631434_100000761251 [0,2,0,0,0,0|1,0,0]=3 3810 B14R1.685 Cc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000186361 [0,2,0,0,0,0|2,0,0]=4 3811 B14R1.6048 CC(=O)C[C@@H](O)c1ccc(cc1F)F 1458a_100000070787_100000761269 [0,2,0,0,0,0|2,0,0]=4 3812 B14R1.6048 CC(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000070787_100000761231 [0,2,0,0,0,0|2,0,0]=4 3813 B14R1.6048 CC(C)C[C@H](N)c1ccc(cc1Br)O 271570a_100015190218_100000701344 [0,2,0,0,0,0|2,0,0]=4 3814 B14R1.6048 CC(C)C[C@H](N)c1ccc(cc1Cl)O 271570a_100015190218_100000047559 [0,2,0,0,0,0|2,0,0]=4 3815 B14R1.6048 CC(C)C[C@H](N)c1ccc(cc1F)O 271570a_100015190218_100000755031 [0,2,0,0,0,0|2,0,0]=4 3816 B14R1.6048 CC(C)C[C@H](N)c1ccc(cc1N)O 271570a_100015190218_100011999798 [0,2,0,0,0,0|2,0,0]=4 3817 B14R1.6048 CC(C)C[C@H](N)c1ccc(cc1O)O 271570a_100015190218_100009813921 [0,2,0,0,0,0|2,0,0]=4 3818 B14R1.6048 CN(C)CC(=O)c1ccc(cc1O)O 269982a_100102631434_100009814262 [0,2,0,0,0,0|0,0,2]=4 3819 B14R1.6048 CN(C)C[C@@H](O)c1ccc(cc1F)F 2230a_100102631434_100000761269 [0,2,0,0,0,0|1,0,0]=3 3820 B14R1.6048 CN(C)C[C@@H](O)c1ccc(cc1F)F 269982a_100102631434_100000761269 [0,2,0,0,0,0|1,0,0]=3 3821 B14R1.6048 CN(C)C[C@H](O)c1ccc(cc1Cl)Cl 2230a_100102631434_100000761231 [0,2,0,0,0,0|1,0,0]=3 3822 B14R1.6048 CN(C)C[C@H](O)c1ccc(cc1Cl)Cl 269982a_100102631434_100000761231 [0,2,0,0,0,0|1,0,0]=3 3823 B14R1.6048 Cc1cc(ccc1[C@@H](N)CC(C)C)O 271570a_100015190218_100000729255 [0,2,0,0,0,0|2,0,0]=4 3824 B14R1.25 C=C=Cc1ccc(cc1)C(O)CCC 271570a_100015277604_100011350873 [0,2,0,0,0,0|2,0,0]=4 3825 B14R1.25 CC=Cc1ccc(cc1)C(O)CCC 271570a_100016259895_100011350873 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.25 CCCC(O)c1ccc(cc1)SCC 62a_100000210202_100011350873 [0,2,0,0,0,0|1,1,0]=4 3827 B14R1.25 CCCC(O)c1ccc(cc1)SCC 62a_100011350873_100000210202 [0,2,0,0,0,0|1,1,0]=4 3828 B14R1.25 CCCC(O)c1ccc(cc1)SCF 62a_100011350873_100015361967 [0,2,0,0,0,0|1,1,0]=4 3829 B14R1.25 CCCC(O)c1ccc(cc1)SCF 62a_100015361967_100011350873 [0,2,0,0,0,0|1,1,0]=4 3830 B14R1.25 CCOc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000203716 [0,2,0,0,0,0|0,0,2]=4 3831 B14R1.25 CCOc1ccc(cc1)C(=O)CNC 7a_106832991635_100000203716 [0,2,0,0,0,0|0,0,2]=4 3832 B14R1.25 CCOc1ccc(cc1)C(O)CNC 34a_100016988945_100000210202 [0,2,0,0,0,0|0,0,0]=2 3833 B14R1.25 CNCC(O)c1ccc(cc1)OCF 34a_100016988945_100015361967 [0,2,0,0,0,0|0,0,0]=2 3834 B14R1.25 CNCc1ccc(cc1)C(O)CNC 26a_100102657272_100016988945 [0,2,0,0,0,0|1,0,0]=3 3835 B14R1.610 C=C(C)c1ccc(cc1)C(O)CCC 271570a_100000694244_100011350873 [0,2,0,0,0,0|2,0,0]=4 3836 B14R1.610 CNCC(=O)c1ccc(cc1)B(O)O 2230a_106832991635_100011107738 [0,2,0,0,0,0|0,0,2]=4 3837 B14R1.610 CNCC(=O)c1ccc(cc1)B(O)O 7a_106832991635_100011107738 [0,2,0,0,0,0|0,0,2]=4 3838 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 2230a_106832991635_100000185116 [0,2,0,0,0,0|0,0,2]=4 3839 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 34a_100102657272_100011262385 [0,2,0,0,0,0|0,0,2]=4 3840 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 7a_106832991635_100000185116 [0,2,0,0,0,0|0,0,2]=4 3841 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 2230a_106832991635_100000198526 [0,2,0,0,0,0|0,0,2]=4 3842 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 7a_106832991635_100000198526 [0,2,0,0,0,0|0,0,2]=4 3843 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 2230a_106832991635_100000195436 [0,2,0,0,0,0|0,0,2]=4 3844 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 34a_100102657272_100000195436 [0,2,0,0,0,0|0,0,2]=4 3845 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 7a_106832991635_100000195436 [0,2,0,0,0,0|0,0,2]=4 3846 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 2230a_106832991635_100011316493 [0,2,0,0,0,0|0,0,2]=4 3847 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 34a_100102657272_100011316493 [0,2,0,0,0,0|0,0,2]=4 3848 B14R1.7234 CNCC(=O)c1ccc(cc1F)OC 7a_106832991635_100011316493 [0,2,0,0,0,0|0,0,2]=4 3849 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 34a_100102657272_100010262812 [0,2,0,0,0,0|0,0,2]=4 3850 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 7a_106832991635_100010262812 [0,2,0,0,0,0|0,0,2]=4 3851 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,2,0,0,0,0|0,0,2]=4 3852 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [1,0,0,1,0,0|1,0,0]=3 3853 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [1,0,0,1,0,0|2,0,0]=4 3854 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [1,0,0,1,0,0|2,0,0]=4 3855 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [1,0,0,1,0,0|2,0,0]=4 3856 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [1,0,0,1,0,0|0,0,0]=2 3857 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [1,0,0,1,0,0|1,0,0]=3 3858 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [1,0,0,1,0,0|2,0,0]=4 3859 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [1,0,0,1,0,0|2,0,0]=4 3860 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [1,0,0,1,0,0|2,0,0]=4 3861 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [1,0,0,1,0,0|2,0,0]=4 3862 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [1,0,0,1,0,0|2,0,0]=4 3863 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,0,0,1,0,0|0,0,2]=4 3864 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [1,0,0,1,0,0|1,0,1]=4 3865 B12R2.132 Cn1ncc2c1cc(cc2)O 271570a_203496583355_100009817177 [1,0,0,1,0,0|1,0,1]=4 3866 B12R2.132 Cn1nnc2c1cc(cc2)O 271570a_203496583355_100010241234 [1,0,0,1,0,0|2,0,0]=4 3867 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [1,0,0,1,0,0|2,0,0]=4 3868 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [1,0,0,1,0,0|2,0,0]=4 3869 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [1,0,0,1,0,0|2,0,0]=4 3870 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [1,0,0,1,0,0|2,0,0]=4 3871 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [1,0,0,1,0,0|2,0,0]=4 3872 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [1,0,0,1,0,0|1,0,0]=3 3873 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [1,0,0,1,0,0|1,0,0]=3 3874 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [1,0,0,1,0,0|2,0,0]=4 3875 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [1,0,0,1,0,0|2,0,0]=4 3876 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [1,0,0,1,0,0|2,0,0]=4 3877 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [1,0,0,1,0,0|2,0,0]=4 3878 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 3879 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 3880 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 3881 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 3882 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 3883 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 3884 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 3885 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 3886 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,0,0,1,0,0|1,0,1]=4 3887 B12R2.290 NC1(CC1)c2ccc(cc2)O 271570a_203496583355_100000742681 [1,0,0,1,0,0|1,0,0]=3 3888 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [1,0,0,1,0,0|2,0,0]=4 3889 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [1,0,0,1,0,0|1,0,0]=3 3890 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [1,0,0,1,0,0|2,0,0]=4 3891 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [1,0,0,1,0,0|0,0,2]=4 3892 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [1,0,0,1,0,0|0,0,2]=4 3893 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [1,0,0,1,0,0|0,0,0]=2 3894 B14R2.72 Oc1ccc(cc1)NC2CCCC2 34a_100000185829_100000179811 [0,0,0,1,0,1|2,0,0]=4 3895 B14R2.72 Oc1ccc(cc1)NC2CCOC2 34a_100000185829_100000690089 [0,0,0,1,0,1|2,0,0]=4 3896 B14R2.72 Oc1ccc(cc1)OC2CCCC2 271570a_203496583355_100011472759 [0,0,0,1,0,1|2,0,0]=4 3897 B14R2.72 Oc1ccc(cc1)SC2CCCC2 62a_100011217020_100000185759 [0,0,0,1,0,1|2,0,0]=4 3898 B14R2.106 CNCc1nc2ccc(cc2o1)Br 2230a_106832991635_100000729449 [0,0,0,1,0,1|1,0,1]=4 3899 B14R2.106 CNCc1nc2ccc(cc2o1)Br 34a_100102657272_100000729449 [0,0,0,1,0,1|1,0,1]=4 3900 B14R2.106 CNCc1nc2ccc(cc2o1)Br 7a_106832991635_100000729449 [0,0,0,1,0,1|1,0,1]=4 3901 B14R2.106 CNCc1nc2ccc(cc2o1)C 2230a_106832991635_100011295139 [0,0,0,1,0,1|1,0,1]=4 3902 B14R2.106 CNCc1nc2ccc(cc2o1)C 34a_100102657272_100011295139 [0,0,0,1,0,1|1,0,1]=4 3903 B14R2.106 CNCc1nc2ccc(cc2o1)C 7a_106832991635_100011295139 [0,0,0,1,0,1|1,0,1]=4 3904 B14R2.106 CNCc1nc2ccc(cc2o1)F 2230a_106832991635_100000687025 [0,0,0,1,0,1|1,0,1]=4 3905 B14R2.106 CNCc1nc2ccc(cc2o1)F 34a_100102657272_100000687025 [0,0,0,1,0,1|1,0,1]=4 3906 B14R2.106 CNCc1nc2ccc(cc2o1)F 7a_106832991635_100000687025 [0,0,0,1,0,1|1,0,1]=4 3907 B14R2.947 CN1CC(C1)Oc2ccc(cc2)Cl 269982a_100011749130_200000210301 [0,0,0,1,0,1|2,0,0]=4 3908 B14R2.947 CN1CC(C1)Oc2ccc(cc2)Cl 34a_100011749130_200000210301 [0,0,0,1,0,1|2,0,0]=4 3909 B14R2.947 CN1CC(C1)Oc2ccc(cc2)F 269982a_100015184730_200000210301 [0,0,0,1,0,1|2,0,0]=4 3910 B14R2.947 CN1CC(C1)Oc2ccc(cc2)F 34a_100015184730_200000210301 [0,0,0,1,0,1|2,0,0]=4 3911 B14R2.947 Cc1ccc(cc1)OC2CN(C2)C 269982a_100015183725_200000210301 [0,0,0,1,0,1|2,0,0]=4 3912 B14R2.947 Cc1ccc(cc1)OC2CN(C2)C 34a_100015183725_200000210301 [0,0,0,1,0,1|2,0,0]=4 3913 B14R2.947 Cc1ccc(cc1)OC2CN(C2)[13CH3] 269982a_100015183725_200025704644 [0,0,0,1,0,1|2,0,0]=4 3914 B14R2.947 Cc1ccc(cc1)OC2CN(C2)[13CH3] 34a_100015183725_200025704644 [0,0,0,1,0,1|2,0,0]=4 3915 B14R2.947 [13CH3]N1CC(C1)Oc2ccc(cc2)Cl 269982a_100011749130_200025704644 [0,0,0,1,0,1|2,0,0]=4 3916 B14R2.947 [13CH3]N1CC(C1)Oc2ccc(cc2)Cl 34a_100011749130_200025704644 [0,0,0,1,0,1|2,0,0]=4 3917 B14R2.947 [13CH3]N1CC(C1)Oc2ccc(cc2)F 269982a_100015184730_200025704644 [0,0,0,1,0,1|2,0,0]=4 3918 B14R2.947 [13CH3]N1CC(C1)Oc2ccc(cc2)F 34a_100015184730_200025704644 [0,0,0,1,0,1|2,0,0]=4 3919 B14R2.19008 CNC1c2cc(ccc2CC1C)Br 269862a_106832991636_100000694082 [0,0,0,1,0,1|2,0,0]=4 3920 B14R2.19008 CNC1c2cc(ccc2CC1C)C 269862a_106832991636_100000698133 [0,0,0,1,0,1|2,0,0]=4 3921 B14R2.19008 CNC1c2cc(ccc2CC1C)Cl 269862a_106832991636_100012183047 [0,0,0,1,0,1|2,0,0]=4 3922 B14R2.19008 CNC1c2cc(ccc2CC1C)F 269862a_106832991636_100000685414 [0,0,0,1,0,1|2,0,0]=4 3923 B14R2.20 CC1COC(O1)c2ccc(cc2)O 271570a_203496583355_200010007801 [0,1,0,1,0,0|1,0,0]=3 3924 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 2230a_100000754569_200000210301 [0,1,0,1,0,0|2,0,0]=4 3925 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 269982a_100000754569_200000210301 [0,1,0,1,0,0|2,0,0]=4 3926 B14R2.20 CN1CCC(C1)c2ccc(cc2)Cl 34a_100000754569_200000210301 [0,1,0,1,0,0|2,0,0]=4 3927 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 2230a_200000685600_200000210301 [0,1,0,1,0,0|2,0,0]=4 3928 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 269982a_200000685600_200000210301 [0,1,0,1,0,0|2,0,0]=4 3929 B14R2.20 CN1CCC(C1)c2ccc(cc2)F 34a_200000685600_200000210301 [0,1,0,1,0,0|2,0,0]=4 3930 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 2230a_100000754569_200025704644 [0,1,0,1,0,0|2,0,0]=4 3931 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 269982a_100000754569_200025704644 [0,1,0,1,0,0|2,0,0]=4 3932 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)Cl 34a_100000754569_200025704644 [0,1,0,1,0,0|2,0,0]=4 3933 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 2230a_200000685600_200025704644 [0,1,0,1,0,0|2,0,0]=4 3934 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 269982a_200000685600_200025704644 [0,1,0,1,0,0|2,0,0]=4 3935 B14R2.20 [13CH3]N1CCC(C1)c2ccc(cc2)F 34a_200000685600_200025704644 [0,1,0,1,0,0|2,0,0]=4 3936 B14R2.68 Oc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000185759 [0,1,0,1,0,0|1,0,1]=4 3937 B14R2.68 Oc1ccc(cc1)C2=CCNCC2 271570a_100000731432_100000185759 [0,1,0,1,0,0|1,0,1]=4 3938 B14R2.68 Oc1ccc(cc1)C2=CCNCC2 271570a_203496583355_100015357501 [0,1,0,1,0,0|1,0,1]=4 3939 B14R2.68 Oc1ccc(cc1)C2=COCCC2 271570a_100010175576_100000185759 [0,1,0,1,0,0|1,0,1]=4 3940 B14R2.68 Oc1ccc(cc1)C2CCCCC2 271570a_203496583355_100011217854 [0,1,0,1,0,0|2,0,0]=4 3941 B14R2.68 Oc1ccc(cc1)C2CCCCN2 271570a_203496583355_100010004824 [0,1,0,1,0,0|2,0,0]=4 3942 B14R2.68 Oc1ccc(cc1)C2CCNCC2 271570a_203496583355_100000727425 [0,1,0,1,0,0|1,0,0]=3 3943 B14R2.68 Oc1ccc(cc1)C2CCOCC2 271570a_203496583355_100010167726 [0,1,0,1,0,0|2,0,0]=4 3944 B14R2.68 Oc1ccc(cc1)C2CNCCN2 271570a_203496583355_100010163160 [0,1,0,1,0,0|1,0,0]=3 3945 B14R2.68 Oc1ccc(cc1)C2CNCCO2 271570a_203496583355_100000745233 [0,1,0,1,0,0|0,0,0]=2 3946 B14R2.68 Oc1ccc(cc1)N2CCNCC2 271570a_203496583355_100011236372 [0,1,0,1,0,0|2,0,0]=4 3947 B14R2.68 Oc1ccc(cc1)[C@@H]2CCCNC2 271570a_203496583355_106439422950 [0,1,0,1,0,0|1,0,0]=3 3948 B14R2.157 COC1(CCC1)c2ccc(cc2)Br 34a_100010132843_200000210301 [0,1,0,1,0,0|2,0,0]=4 3949 B14R2.157 COC1(CCC1)c2ccc(cc2)Br 7a_100010132843_200000210301 [0,1,0,1,0,0|2,0,0]=4 3950 B14R2.157 COC1(COC1)c2ccc(cc2)Br 34a_100010074357_200000210301 [0,1,0,1,0,0|2,0,0]=4 3951 B14R2.157 COC1(COC1)c2ccc(cc2)Br 7a_100010074357_200000210301 [0,1,0,1,0,0|2,0,0]=4 3952 B14R2.157 N#CC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100011246086 [0,1,0,1,0,0|2,0,0]=4 3953 B14R2.157 NCC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000743562 [0,1,0,1,0,0|2,0,0]=4 3954 B14R2.157 OCC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100010686961 [0,1,0,1,0,0|1,0,0]=3 3955 B14R2.157 [13CH3]OC1(CCC1)c2ccc(cc2)Br 34a_100010132843_200025704644 [0,1,0,1,0,0|2,0,0]=4 3956 B14R2.157 [13CH3]OC1(CCC1)c2ccc(cc2)Br 7a_100010132843_200025704644 [0,1,0,1,0,0|2,0,0]=4 3957 B14R2.157 [13CH3]OC1(COC1)c2ccc(cc2)Br 34a_100010074357_200025704644 [0,1,0,1,0,0|2,0,0]=4 3958 B14R2.157 [13CH3]OC1(COC1)c2ccc(cc2)Br 7a_100010074357_200025704644 [0,1,0,1,0,0|2,0,0]=4 3959 B14R2.826 CNCC1(CC1)c2ccc(cc2)Br 2230a_100020622185_200000210301 [0,1,0,1,0,0|2,0,0]=4 3960 B14R2.826 CNCC1(CC1)c2ccc(cc2)Br 34a_100020622185_200000210301 [0,1,0,1,0,0|2,0,0]=4 3961 B14R2.826 CNCC1(CC1)c2ccc(cc2)Cl 2230a_100000750706_200000210301 [0,1,0,1,0,0|2,0,0]=4 3962 B14R2.826 CNCC1(CC1)c2ccc(cc2)Cl 34a_100000750706_200000210301 [0,1,0,1,0,0|2,0,0]=4 3963 B14R2.826 CNCC1(CC1)c2ccc(cc2)F 2230a_100020620144_200000210301 [0,1,0,1,0,0|2,0,0]=4 3964 B14R2.826 CNCC1(CC1)c2ccc(cc2)F 34a_100020620144_200000210301 [0,1,0,1,0,0|2,0,0]=4 3965 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)Br 2230a_100020622185_200025704644 [0,1,0,1,0,0|2,0,0]=4 3966 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)Br 34a_100020622185_200025704644 [0,1,0,1,0,0|2,0,0]=4 3967 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)Cl 2230a_100000750706_200025704644 [0,1,0,1,0,0|2,0,0]=4 3968 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)Cl 34a_100000750706_200025704644 [0,1,0,1,0,0|2,0,0]=4 3969 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)F 2230a_100020620144_200025704644 [0,1,0,1,0,0|2,0,0]=4 3970 B14R2.826 [13CH3]NCC1(CC1)c2ccc(cc2)F 34a_100020620144_200025704644 [0,1,0,1,0,0|2,0,0]=4 3971 B14R2.2854 CNC(c1ccc(cc1)O)C2CC2 269862a_106832991636_100011997326 [0,1,0,1,0,0|2,0,0]=4 3972 B14R2.2854 COC(c1ccc(cc1)Br)C2CC2 34a_100000756592_200000210301 [0,1,0,1,0,0|2,0,0]=4 3973 B14R2.2854 COC(c1ccc(cc1)Br)C2CC2 7a_100000756592_200000210301 [0,1,0,1,0,0|2,0,0]=4 3974 B14R2.2854 [13CH3]OC(c1ccc(cc1)Br)C2CC2 34a_100000756592_200025704644 [0,1,0,1,0,0|2,0,0]=4 3975 B14R2.2854 [13CH3]OC(c1ccc(cc1)Br)C2CC2 7a_100000756592_200025704644 [0,1,0,1,0,0|2,0,0]=4 3976 B14R2.100 CNC1CC(C1)c2ccc(cc2)Br 270004a_106832991635_100000741321 [0,1,0,1,0,0|2,0,0]=4 3977 B14R2.100 CNC1CC(C1)c2ccc(cc2)Cl 270004a_106832991635_100000741320 [0,1,0,1,0,0|2,0,0]=4 3978 B14R2.933 CC(NC1CC1)c2ccc(cc2)O 271570a_203496583355_100160470766 [0,1,0,1,0,0|2,0,0]=4 3979 B14R2.4398 CC1(OCCO1)c2ccc(cc2)O 271570a_203496583355_200009992689 [0,1,0,1,0,0|2,0,0]=4 3980 B14R2.4398 Oc1ccc(cc1)C2(CCCC2)O 271570a_203496583355_100010132842 [0,1,0,1,0,0|1,0,0]=3 3981 B14R2.10606 NC(c1ccc(cc1)O)C2CCC2 271570a_203496583355_100000743061 [0,1,0,1,0,0|2,0,0]=4 3982 B14R2.10606 Oc1ccc(cc1)C(O)C2CCC2 271570a_203496583355_100000687797 [0,1,0,1,0,0|1,0,0]=3 3983 B14R2.1 COc1ccc(cc1)C2CCCC2 34a_200000039779_200000210301 [0,1,0,1,0,0|2,0,0]=4 3984 B14R2.1 COc1ccc(cc1)C2CCCC2 7a_200000039779_200000210301 [0,1,0,1,0,0|2,0,0]=4 3985 B14R2.1 [13CH3]Oc1ccc(cc1)C2CCCC2 34a_200000039779_200025704644 [0,1,0,1,0,0|2,0,0]=4 3986 B14R2.1 [13CH3]Oc1ccc(cc1)C2CCCC2 7a_200000039779_200025704644 [0,1,0,1,0,0|2,0,0]=4 3987 B14R2.26 CN[C@@H]1C[C@H]1c2ccc(cc2)OC 2230a_100102558531_200000210301 [0,1,0,1,0,0|1,0,0]=3 3988 B14R2.26 CN[C@@H]1C[C@H]1c2ccc(cc2)OC 34a_100102558531_200000210301 [0,1,0,1,0,0|1,0,0]=3 3989 B14R2.26 COc1ccc(cc1)[C@@H]2C[C@H]2N[13CH3] 2230a_100102558531_200025704644 [0,1,0,1,0,0|1,0,0]=3 3990 B14R2.26 COc1ccc(cc1)[C@@H]2C[C@H]2N[13CH3] 34a_100102558531_200025704644 [0,1,0,1,0,0|1,0,0]=3 3991 B14R2.326 C=Cc1ccc(cc1)C2(CCC2)O 271570a_100011290941_100010132843 [0,1,0,1,0,0|2,0,0]=4 3992 B14R2.326 C=Cc1ccc(cc1)C2(COC2)O 271570a_100011290941_100010074357 [0,1,0,1,0,0|2,0,0]=4 3993 B14R2.326 CSc1ccc(cc1)C2(CCC2)O 62a_100010132843_200000210301 [0,1,0,1,0,0|1,1,0]=4 3994 B14R2.326 CSc1ccc(cc1)C2(CCC2)O 62a_200000210301_100010132843 [0,1,0,1,0,0|1,1,0]=4 3995 B14R2.326 CSc1ccc(cc1)C2(COC2)O 62a_100010074357_200000210301 [0,1,0,1,0,0|1,1,0]=4 3996 B14R2.326 CSc1ccc(cc1)C2(COC2)O 62a_200000210301_100010074357 [0,1,0,1,0,0|1,1,0]=4 3997 B14R2.326 [13CH3]Sc1ccc(cc1)C2(CCC2)O 62a_100010132843_200025704644 [0,1,0,1,0,0|1,1,0]=4 3998 B14R2.326 [13CH3]Sc1ccc(cc1)C2(CCC2)O 62a_200025704644_100010132843 [0,1,0,1,0,0|1,1,0]=4 3999 B14R2.326 [13CH3]Sc1ccc(cc1)C2(COC2)O 62a_100010074357_200025704644 [0,1,0,1,0,0|1,1,0]=4 4000 B14R2.326 [13CH3]Sc1ccc(cc1)C2(COC2)O 62a_200025704644_100010074357 [0,1,0,1,0,0|1,1,0]=4 4001 B14R2.329 C=Cc1ccc(cc1)C(O)C2CC2 271570a_100011290941_100000756592 [0,1,0,1,0,0|2,0,0]=4 4002 B14R2.329 CSc1ccc(cc1)C(O)C2CC2 62a_100000756592_200000210301 [0,1,0,1,0,0|1,1,0]=4 4003 B14R2.329 CSc1ccc(cc1)C(O)C2CC2 62a_200000210301_100000756592 [0,1,0,1,0,0|1,1,0]=4 4004 B14R2.329 [13CH3]Sc1ccc(cc1)C(O)C2CC2 62a_100000756592_200025704644 [0,1,0,1,0,0|1,1,0]=4 4005 B14R2.329 [13CH3]Sc1ccc(cc1)C(O)C2CC2 62a_200025704644_100000756592 [0,1,0,1,0,0|1,1,0]=4 4006 B14R2.1812 COc1ccc2c(nn(c2c1)C)O 271570a_203496583355_200010989029 [0,1,0,1,0,0|1,0,1]=4 4007 B14R2.70 Oc1ccc(cc1F)C2OCCO2 271570a_203496583355_100021390413 [0,1,0,1,0,0|2,0,0]=4 4008 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200000210301 [0,1,0,1,0,0|2,0,0]=4 4009 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200000210301 [0,1,0,1,0,0|2,0,0]=4 4010 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200025704644 [0,1,0,1,0,0|2,0,0]=4 4011 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200025704644 [0,1,0,1,0,0|2,0,0]=4 4012 B14R2.739 Cc1cc(ccc1C2OCCO2)O 271570a_203496583355_100010114406 [0,1,0,1,0,0|2,0,0]=4 4013 B14R2.739 Oc1ccc(c(c1)F)C2OCCO2 271570a_203496583355_200010165126 [0,1,0,1,0,0|2,0,0]=4 4014 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,0,0,0,1,0|2,0,0]=4 4015 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,0,0,0,1,0|2,0,0]=4 4016 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [1,0,0,0,1,0|2,0,0]=4 4017 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,0,0,0,1,0|2,0,0]=4 4018 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,0,0,0,1,0|2,0,0]=4 4019 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [1,0,0,0,1,0|2,0,0]=4 4020 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,1,0|1,0,0]=3 4021 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 4022 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [1,0,0,0,1,0|1,0,0]=3 4023 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,1,0|1,0,0]=3 4024 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 4025 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [1,0,0,0,1,0|1,0,0]=3 4026 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,0,0,0,0,1|1,0,0]=3 4027 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,0,0,0,0,1|1,0,0]=3 4028 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [1,0,0,0,0,1|2,0,0]=4 4029 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 4030 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,0,0,0,0,1|2,0,0]=4 4031 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 4032 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,0,0,0,0,1|2,0,0]=4 4033 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,0,0,0,0,1|2,0,0]=4 4034 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,0,0,0,0,1|2,0,0]=4 4035 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,0,0,0,0,1|2,0,0]=4 4036 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,0,0,0,0,1|2,0,0]=4 4037 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,0,0,0,0,1|2,0,0]=4 4038 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,0,0,0,0,1|0,0,2]=4 4039 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,0,0,0,0,1|0,0,2]=4 4040 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [1,0,0,0,0,1|0,0,2]=4 4041 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [1,0,0,0,0,1|0,0,2]=4 4042 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [1,0,0,0,0,1|0,0,2]=4 4043 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [1,0,0,0,0,1|0,0,2]=4 4044 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [1,0,0,0,0,1|0,0,2]=4 4045 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [1,0,0,0,0,1|0,0,2]=4 4046 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,0,0,0,0,1|1,0,0]=3 4047 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,0,0,0,0,1|1,0,0]=3 4048 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [1,0,0,0,0,1|2,0,0]=4 4049 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,0,0,0,0,1|0,0,0]=2 4050 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,0,0,0,0,1|0,0,0]=2 4051 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,0,0,0,0,1|0,0,0]=2 4052 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,0,0,0,0,1|0,0,0]=2 4053 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 4054 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,0,0,0,0,1|2,0,0]=4 4055 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,0,0,0,0,1|2,0,0]=4 4056 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 4057 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 4058 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,0,0,0,0,1|2,0,0]=4 4059 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,0,0,0,0,1|2,0,0]=4 4060 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,0,0,0,0,1|2,0,0]=4 4061 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,0,0,0,0,1|2,0,0]=4 4062 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,0,0,0,0,1|2,0,0]=4 4063 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,0,0,0,0,1|1,0,0]=3 4064 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,0,0,0,0,1|1,0,0]=3 4065 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,0,0,0,0,1|1,0,0]=3 4066 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,0,0,0,0,1|0,0,0]=2 4067 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,0,0,0,0,1|2,0,0]=4 4068 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,0,0,0,0,1|1,0,0]=3 4069 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,0,0,0,0,1|1,0,0]=3 4070 B14R1.502 CCCC(C)CNc1ccc(cc1)O 34a_100000185829_100011216630 [0,0,0,0,0,2|2,0,0]=4 4071 B14R1.502 CCCC(C)CSc1ccc(cc1)O 62a_100011216630_100000185759 [0,0,0,0,0,2|2,0,0]=4 4072 B14R1.502 CCCC(C)NCc1ccc(cc1)O 34a_100000185549_100000766640 [0,0,0,0,0,2|2,0,0]=4 4073 B14R1.502 COCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186350 [0,0,0,0,0,2|2,0,0]=4 4074 B14R1.502 COCC(C)NCc1ccc(cc1)O 34a_100000185549_100000765312 [0,0,0,0,0,2|2,0,0]=4 4075 B14R1.502 COCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011215053 [0,0,0,0,0,2|2,0,0]=4 4076 B14R1.502 COCC(O)CNc1ccc(cc1)C 34a_100000124888_100011215053 [0,0,0,0,0,2|2,0,0]=4 4077 B14R1.502 COCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011215053 [0,0,0,0,0,2|2,0,0]=4 4078 B14R1.502 COCC(O)CNc1ccc(cc1)F 34a_100000185862_100011215053 [0,0,0,0,0,2|2,0,0]=4 4079 B14R1.502 COCC(O)CNc1ccc(cc1)I 34a_100000185761_100011215053 [0,0,0,0,0,2|2,0,0]=4 4080 B14R1.502 COCC(O)CNc1ccc(cc1)O 34a_100000185829_100011215053 [0,0,0,0,0,2|1,0,0]=3 4081 B14R1.502 COCC(O)COc1ccc(cc1)Br 34a_100000185759_100011215053 [0,0,0,0,0,2|2,0,0]=4 4082 B14R1.502 COCC(O)COc1ccc(cc1)Br 7a_100000185759_100011215053 [0,0,0,0,0,2|2,0,0]=4 4083 B14R1.502 COCC(O)COc1ccc(cc1)C 34a_100000210336_100011215053 [0,0,0,0,0,2|2,0,0]=4 4084 B14R1.502 COCC(O)COc1ccc(cc1)C 7a_100000210336_100011215053 [0,0,0,0,0,2|2,0,0]=4 4085 B14R1.502 COCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011215053 [0,0,0,0,0,2|2,0,0]=4 4086 B14R1.502 COCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011215053 [0,0,0,0,0,2|2,0,0]=4 4087 B14R1.502 COCC(O)COc1ccc(cc1)F 34a_100000210339_100011215053 [0,0,0,0,0,2|2,0,0]=4 4088 B14R1.502 COCC(O)COc1ccc(cc1)I 34a_100000212066_100011215053 [0,0,0,0,0,2|2,0,0]=4 4089 B14R1.502 COCC(O)COc1ccc(cc1)I 7a_100000212066_100011215053 [0,0,0,0,0,2|2,0,0]=4 4090 B14R1.502 COCC(O)COc1ccc(cc1)N 34a_100000185829_100011215053 [0,0,0,0,0,2|2,0,0]=4 4091 B14R1.502 COCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011215053 [0,0,0,0,0,2|2,0,0]=4 4092 B14R1.502 COCC(O)CSc1ccc(cc1)Br 62a_100011215053_100000752885 [0,0,0,0,0,2|2,0,0]=4 4093 B14R1.502 COCC(O)CSc1ccc(cc1)C 62a_100000186775_100011215053 [0,0,0,0,0,2|2,0,0]=4 4094 B14R1.502 COCC(O)CSc1ccc(cc1)C 62a_100011215053_100000186775 [0,0,0,0,0,2|2,0,0]=4 4095 B14R1.502 COCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011215053 [0,0,0,0,0,2|2,0,0]=4 4096 B14R1.502 COCC(O)CSc1ccc(cc1)Cl 62a_100011215053_100000755918 [0,0,0,0,0,2|2,0,0]=4 4097 B14R1.502 COCC(O)CSc1ccc(cc1)F 62a_100000211213_100011215053 [0,0,0,0,0,2|2,0,0]=4 4098 B14R1.502 COCC(O)CSc1ccc(cc1)F 62a_100011215053_100000211213 [0,0,0,0,0,2|2,0,0]=4 4099 B14R1.502 COCC(O)CSc1ccc(cc1)N 62a_100000185761_100011215053 [0,0,0,0,0,2|2,0,0]=4 4100 B14R1.502 COCC(O)CSc1ccc(cc1)N 62a_100011215053_100000185761 [0,0,0,0,0,2|2,0,0]=4 4101 B14R1.502 COCC(O)CSc1ccc(cc1)O 62a_100011215053_100000185759 [0,0,0,0,0,2|1,0,0]=3 4102 B14R1.502 COCC(O)CSc1ccc(cn1)O 62a_100000685995_100011215053 [0,0,0,0,0,2|2,0,0]=4 4103 B14R1.502 COCC(O)CSc1ccc(cn1)O 62a_100011215053_100000744096 [0,0,0,0,0,2|2,0,0]=4 4104 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)O 62a_100000001066_100000185759 [0,0,0,0,0,2|2,0,0]=4