0 B19R2.10808 C=C(c1ccccc1)c2cn[nH]c2C(=O)OCC 271570a_100000068269_100102524952 [0,0,0,0,0,0|2,0,2]=4 1 B19R2.10808 C=C(c1ccccc1)c2cscc2C(=O)OCC 271570a_100000068269_100012353568 [0,0,0,0,0,0|2,0,2]=4 2 B19R2.10808 CCOC(=O)[C@@H]1CCCN1C(C)c2ccccc2 2230a_100000703725_100000230085 [0,0,0,0,0,0|1,0,3]=4 3 B19R2.10808 CCOC(=O)[C@@H]1CCCN1C(C)c2ccccc2 269982a_100000703725_100000230085 [0,0,0,0,0,0|1,0,3]=4 4 B19R2.10808 CCOC(=O)[C@@H]1CSCN1C(C)c2ccccc2 269982a_100016989239_100000230085 [0,0,0,0,0,0|1,0,3]=4 5 B18R2.8052 CCOC(=O)c1[nH]ncc1Sc2ccccc2 62a_100000719477_100102524952 [1,0,0,0,0,0|3,0,0]=4 6 B18R2.8052 CCOC(=O)c1cscc1Sc2ccccc2 62a_100000719477_100012353568 [1,0,0,0,0,0|3,0,0]=4 7 B18R1.918 CCOC(=O)/C=C/CNCC(C)c1ccccc1 2230a_100000701038_100016267167 [0,0,1,0,0,0|3,0,0]=4 8 B18R1.918 CCOC(=O)/C=C/CNCC(C)c1ccccc1 34a_100000701038_100016267167 [0,0,1,0,0,0|3,0,0]=4 9 B18R1.918 CCOC(=O)/C=C/COCC(C)c1ccccc1 34a_100011215166_100016267167 [0,0,1,0,0,0|3,0,0]=4 10 B18R1.918 CCOC(=O)/C=C/COCC(C)c1ccccc1 7a_100011215166_100016267167 [0,0,1,0,0,0|3,0,0]=4 11 B18R1.918 CCOC(=O)/C=C/CSCC(C)c1ccccc1 62a_100000756946_100016267167 [0,0,1,0,0,0|3,0,0]=4 12 B18R1.918 CCOC(=O)/C=C/CSCC(C)c1ccccc1 62a_100016267167_100000756946 [0,0,1,0,0,0|3,0,0]=4 13 B18R1.5645 C=CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 2230a_100011939997_100000210623 [0,0,1,0,0,0|1,0,2]=4 14 B18R1.5645 C=CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 269982a_100011939997_100000210623 [0,0,1,0,0,0|1,0,2]=4 15 B20R2.13793 C=C(c1ccccc1)c2cncc(c2)C(=O)OCC 271570a_100000068269_100000170250 [0,0,0,0,0,1|1,0,2]=4 16 B20R2.13793 C=C(c1ccccc1)c2cncc(n2)C(=O)OCC 271570a_100000068269_100012185986 [0,0,0,0,0,1|1,0,2]=4 17 B20R2.13887 C=C(c1ccccc1)c2ccncc2C(=O)OCC 271570a_100000068269_100016987518 [0,0,0,0,0,1|1,0,2]=4 18 B20R2.13887 C=C(c1ccccc1)c2cnccc2C(=O)OCC 271570a_100000068269_100010238393 [0,0,0,0,0,1|1,0,2]=4 19 B20R2.13887 C=C(c1ccccc1)c2cncnc2C(=O)OCC 271570a_100000068269_100012344254 [0,0,0,0,0,1|1,0,2]=4 20 B20R2.13887 C=C(c1ccccc1)c2ncncc2C(=O)OCC 271570a_100000068269_100011998183 [0,0,0,0,0,1|1,0,2]=4 21 B20R2.14035 CCOC(=O)c1[nH]ncc1CC(C)c2ccccc2 271570a_100000062452_100102524952 [0,0,0,0,0,1|2,0,0]=3 22 B20R2.14035 CCOC(=O)c1[nH]ncc1SC(C)c2ccccc2 62a_100000230085_100102524952 [0,0,0,0,0,1|2,0,0]=3 23 B20R2.14035 CCOC(=O)c1c[nH]nc1CC(C)c2ccccc2 271570a_100000062452_100010255357 [0,0,0,0,0,1|2,0,1]=4 24 B20R2.14035 CCOC(=O)c1c[nH]nc1SC(C)c2ccccc2 62a_100000230085_100010255357 [0,0,0,0,0,1|2,0,1]=4 25 B20R2.14035 CCOC(=O)c1ccsc1CC(C)c2ccccc2 271570a_100000062452_100010219215 [0,0,0,0,0,1|3,0,0]=4 26 B20R2.14035 CCOC(=O)c1ccsc1SC(C)c2ccccc2 62a_100000230085_100010219215 [0,0,0,0,0,1|3,0,0]=4 27 B20R2.14035 CCOC(=O)c1cscc1CC(C)c2ccccc2 271570a_100000062452_100012353568 [0,0,0,0,0,1|2,0,0]=3 28 B20R2.14035 CCOC(=O)c1cscc1SC(C)c2ccccc2 62a_100000230085_100012353568 [0,0,0,0,0,1|2,0,0]=3 29 B17R1.995 CCOC(=O)C=CC=NNCc1ccccc1 4a_100000007032_100016289910 [1,0,1,0,0,0|2,0,0]=4 30 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 11a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 31 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 32 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 33 B17R2.185 CCCCc1cncn1Cc2ccccc2 271570a_100020621405_100010116847 [2,0,0,0,0,0|1,0,1]=4 34 B17R2.185 CCCSc1cncn1Cc2ccccc2 62a_100000210303_100010116847 [2,0,0,0,0,0|2,0,0]=4 35 B17R2.185 CCCSc1cncn1Cc2ccccc2 62a_100010116847_100000210303 [2,0,0,0,0,0|2,0,0]=4 36 B17R2.185 CCNCc1cncn1Cc2ccccc2 207a_100015525214_100011218893 [2,0,0,0,0,0|1,0,1]=4 37 B17R2.185 CCNCc1cncn1Cc2ccccc2 2230a_100015525214_100000709293 [2,0,0,0,0,0|1,0,1]=4 38 B17R2.185 CCNCc1cncn1Cc2ccccc2 270004a_100015525214_100011218893 [2,0,0,0,0,0|1,0,1]=4 39 B17R2.185 CCOCc1cncn1Cc2ccccc2 34a_100000709292_100000210202 [2,0,0,0,0,0|0,0,1]=3 40 B17R2.185 CCOCc1cncn1Cc2ccccc2 34a_100121572206_100000709293 [2,0,0,0,0,0|0,0,1]=3 41 B17R2.185 CCSCc1cncn1Cc2ccccc2 62a_100000210202_100000709293 [2,0,0,0,0,0|0,1,1]=4 42 B17R2.185 CCSCc1cncn1Cc2ccccc2 62a_100000709293_100000210202 [2,0,0,0,0,0|0,1,1]=4 43 B17R2.185 FCOCc1cncn1Cc2ccccc2 34a_100000709292_100015361967 [2,0,0,0,0,0|1,0,1]=4 44 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@@H](C)c1ccccc1 1626a_100011939997_100000185746 [0,1,1,0,0,0|1,0,1]=4 45 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@@H](C)c1ccccc1 240690a_100011939997_200121576911 [0,1,1,0,0,0|1,0,1]=4 46 B21R2.17437 CCOC(=O)c1cncc(n1)N(CC)c2ccccc2 27a_100000210013_100012185986 [0,1,0,0,0,1|2,0,0]=4 47 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)Br 27a_100000219648_100012185986 [0,1,0,0,0,1|2,0,0]=4 48 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)C 27a_100000219674_100012185986 [0,1,0,0,0,1|2,0,0]=4 49 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)Cl 27a_100000220044_100012185986 [0,1,0,0,0,1|2,0,0]=4 50 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)F 27a_100020633736_100012185986 [0,1,0,0,0,1|2,0,0]=4 51 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)I 27a_100000221217_100012185986 [0,1,0,0,0,1|2,0,0]=4 52 B21R2.17442 CCOC(=O)c1cncc(n1)N(C)c2cccc(c2)O 27a_100000756613_100012185986 [0,1,0,0,0,1|2,0,0]=4 53 B21R2.17461 CCOC(=O)c1cncc(n1)N(C)c2ccc(cc2)Br 27a_100000219623_100012185986 [0,1,0,0,0,1|2,0,0]=4 54 B21R2.17461 CCOC(=O)c1cncc(n1)N(C)c2ccc(cc2)Cl 27a_100020629279_100012185986 [0,1,0,0,0,1|2,0,0]=4 55 B21R2.17461 CCOC(=O)c1cncc(n1)N(C)c2ccc(cc2)F 27a_100000219829_100012185986 [0,1,0,0,0,1|2,0,0]=4 56 B21R2.17461 CCOC(=O)c1cncc(n1)N(C)c2ccc(cc2)I 27a_100000743151_100012185986 [0,1,0,0,0,1|2,0,0]=4 57 B21R2.17461 CCOC(=O)c1cncc(n1)N(C)c2ccc(cc2)O 27a_100000182112_100012185986 [0,1,0,0,0,1|2,0,0]=4 58 B21R2.315414 CCOC(=O)c1cncc(n1)N(C)c2ccccc2Br 27a_100020606079_100012185986 [0,1,0,0,0,1|2,0,0]=4 59 B21R2.315414 CCOC(=O)c1cncc(n1)N(C)c2ccccc2C 27a_100000219699_100012185986 [0,1,0,0,0,1|2,0,0]=4 60 B21R2.315414 CCOC(=O)c1cncc(n1)N(C)c2ccccc2F 27a_100000220357_100012185986 [0,1,0,0,0,1|2,0,0]=4 61 B21R2.315414 CCOC(=O)c1cncc(n1)N(C)c2ccccc2O 27a_100000033821_100012185986 [0,1,0,0,0,1|2,0,0]=4 62 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)Br 27a_100000219623_100016987518 [0,1,0,0,0,1|2,0,0]=4 63 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)Cl 27a_100020629279_100016987518 [0,1,0,0,0,1|2,0,0]=4 64 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)F 27a_100000219829_100016987518 [0,1,0,0,0,1|2,0,0]=4 65 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)I 27a_100000743151_100016987518 [0,1,0,0,0,1|2,0,0]=4 66 B21R2.17568 CCOC(=O)c1cnccc1N(C)c2ccc(cc2)O 27a_100000182112_100016987518 [0,1,0,0,0,1|2,0,0]=4 67 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)Br 27a_100000219623_100011998183 [0,1,0,0,0,1|2,0,0]=4 68 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)Cl 27a_100020629279_100011998183 [0,1,0,0,0,1|2,0,0]=4 69 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)F 27a_100000219829_100011998183 [0,1,0,0,0,1|2,0,0]=4 70 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)I 27a_100000743151_100011998183 [0,1,0,0,0,1|2,0,0]=4 71 B21R2.17568 CCOC(=O)c1cncnc1N(C)c2ccc(cc2)O 27a_100000182112_100011998183 [0,1,0,0,0,1|2,0,0]=4 72 B21R2.17568 CCOC(=O)c1ncncc1N(C)c2ccc(cc2)Br 27a_100000219623_100012344254 [0,1,0,0,0,1|2,0,0]=4 73 B21R2.17568 CCOC(=O)c1ncncc1N(C)c2ccc(cc2)Cl 27a_100020629279_100012344254 [0,1,0,0,0,1|2,0,0]=4 74 B21R2.17568 CCOC(=O)c1ncncc1N(C)c2ccc(cc2)F 27a_100000219829_100012344254 [0,1,0,0,0,1|2,0,0]=4 75 B21R2.17568 CCOC(=O)c1ncncc1N(C)c2ccc(cc2)I 27a_100000743151_100012344254 [0,1,0,0,0,1|2,0,0]=4 76 B21R2.17568 CCOC(=O)c1ncncc1N(C)c2ccc(cc2)O 27a_100000182112_100012344254 [0,1,0,0,0,1|2,0,0]=4 77 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)Br 27a_100000219648_100016987518 [0,1,0,0,0,1|2,0,0]=4 78 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)C 27a_100000219674_100016987518 [0,1,0,0,0,1|2,0,0]=4 79 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)Cl 27a_100000220044_100016987518 [0,1,0,0,0,1|2,0,0]=4 80 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)F 27a_100020633736_100016987518 [0,1,0,0,0,1|2,0,0]=4 81 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)I 27a_100000221217_100016987518 [0,1,0,0,0,1|2,0,0]=4 82 B21R2.17582 CCOC(=O)c1cnccc1N(C)c2cccc(c2)O 27a_100000756613_100016987518 [0,1,0,0,0,1|2,0,0]=4 83 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)Br 27a_100000219648_100011998183 [0,1,0,0,0,1|2,0,0]=4 84 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)C 27a_100000219674_100011998183 [0,1,0,0,0,1|2,0,0]=4 85 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)Cl 27a_100000220044_100011998183 [0,1,0,0,0,1|2,0,0]=4 86 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)F 27a_100020633736_100011998183 [0,1,0,0,0,1|2,0,0]=4 87 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)I 27a_100000221217_100011998183 [0,1,0,0,0,1|2,0,0]=4 88 B21R2.17582 CCOC(=O)c1cncnc1N(C)c2cccc(c2)O 27a_100000756613_100011998183 [0,1,0,0,0,1|2,0,0]=4 89 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)Br 27a_100000219648_100012344254 [0,1,0,0,0,1|2,0,0]=4 90 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)C 27a_100000219674_100012344254 [0,1,0,0,0,1|2,0,0]=4 91 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)Cl 27a_100000220044_100012344254 [0,1,0,0,0,1|2,0,0]=4 92 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)F 27a_100020633736_100012344254 [0,1,0,0,0,1|2,0,0]=4 93 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)I 27a_100000221217_100012344254 [0,1,0,0,0,1|2,0,0]=4 94 B21R2.17582 CCOC(=O)c1ncncc1N(C)c2cccc(c2)O 27a_100000756613_100012344254 [0,1,0,0,0,1|2,0,0]=4 95 B21R2.319423 CCOC(=O)c1cnccc1N(C)c2ccccc2Br 27a_100020606079_100016987518 [0,1,0,0,0,1|2,0,0]=4 96 B21R2.319423 CCOC(=O)c1cnccc1N(C)c2ccccc2C 27a_100000219699_100016987518 [0,1,0,0,0,1|2,0,0]=4 97 B21R2.319423 CCOC(=O)c1cnccc1N(C)c2ccccc2F 27a_100000220357_100016987518 [0,1,0,0,0,1|2,0,0]=4 98 B21R2.319423 CCOC(=O)c1cnccc1N(C)c2ccccc2O 27a_100000033821_100016987518 [0,1,0,0,0,1|2,0,0]=4 99 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2Br 27a_100020606079_100011998183 [0,1,0,0,0,1|2,0,0]=4 100 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2C 27a_100000219699_100011998183 [0,1,0,0,0,1|2,0,0]=4 101 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2F 27a_100000220357_100011998183 [0,1,0,0,0,1|2,0,0]=4 102 B21R2.319423 CCOC(=O)c1cncnc1N(C)c2ccccc2O 27a_100000033821_100011998183 [0,1,0,0,0,1|2,0,0]=4 103 B21R2.319423 CCOC(=O)c1ncncc1N(C)c2ccccc2Br 27a_100020606079_100012344254 [0,1,0,0,0,1|2,0,0]=4 104 B21R2.319423 CCOC(=O)c1ncncc1N(C)c2ccccc2C 27a_100000219699_100012344254 [0,1,0,0,0,1|2,0,0]=4 105 B21R2.319423 CCOC(=O)c1ncncc1N(C)c2ccccc2F 27a_100000220357_100012344254 [0,1,0,0,0,1|2,0,0]=4 106 B21R2.319423 CCOC(=O)c1ncncc1N(C)c2ccccc2O 27a_100000033821_100012344254 [0,1,0,0,0,1|2,0,0]=4 107 B21R2.319646 CCOC(=O)c1cnccc1N(CC)c2ccccc2 27a_100000210013_100016987518 [0,1,0,0,0,1|2,0,0]=4 108 B21R2.319646 CCOC(=O)c1cncnc1N(CC)c2ccccc2 27a_100000210013_100011998183 [0,1,0,0,0,1|2,0,0]=4 109 B21R2.319646 CCOC(=O)c1ncncc1N(CC)c2ccccc2 27a_100000210013_100012344254 [0,1,0,0,0,1|2,0,0]=4 110 B21R2.309048 CCOC(=O)c1[nH]ncc1SC(C)(C)c2ccccc2 62a_100000034625_100102524952 [0,1,0,0,0,1|2,0,0]=4 111 B21R2.309048 CCOC(=O)c1cscc1SC(C)(C)c2ccccc2 62a_100000034625_100012353568 [0,1,0,0,0,1|2,0,0]=4 112 B21R2.309065 CCOC(=O)c1[nH]ncc1SC(C)c2ccc(cc2)Br 62a_100000755118_100102524952 [0,1,0,0,0,1|2,0,0]=4 113 B21R2.309065 CCOC(=O)c1[nH]ncc1SC(C)c2ccc(cc2)C 62a_100011261388_100102524952 [0,1,0,0,0,1|2,0,0]=4 114 B21R2.309065 CCOC(=O)c1[nH]ncc1SC(C)c2ccc(cc2)Cl 62a_100000684792_100102524952 [0,1,0,0,0,1|2,0,0]=4 115 B21R2.309065 CCOC(=O)c1[nH]ncc1SC(C)c2ccc(cc2)F 62a_100000743420_100102524952 [0,1,0,0,0,1|2,0,0]=4 116 B21R2.309065 CCOC(=O)c1cscc1SC(C)c2ccc(cc2)Br 62a_100000755118_100012353568 [0,1,0,0,0,1|2,0,0]=4 117 B21R2.309065 CCOC(=O)c1cscc1SC(C)c2ccc(cc2)C 62a_100011261388_100012353568 [0,1,0,0,0,1|2,0,0]=4 118 B21R2.309065 CCOC(=O)c1cscc1SC(C)c2ccc(cc2)Cl 62a_100000684792_100012353568 [0,1,0,0,0,1|2,0,0]=4 119 B21R2.309065 CCOC(=O)c1cscc1SC(C)c2ccc(cc2)F 62a_100000743420_100012353568 [0,1,0,0,0,1|2,0,0]=4 120 B21R2.317149 CCOC(=O)c1[nH]nc(c1SC(C)c2ccccc2)C 62a_100000230085_100102525181 [0,1,0,0,0,1|2,0,0]=4 121 B21R2.317149 CCOC(=O)c1cnn(c1SC(C)c2ccccc2)C 62a_100000230085_100010284732 [0,1,0,0,0,1|2,0,0]=4 122 B21R2.317149 CCOC(=O)c1cnn(c1SC(C)c2ccccc2)C 62a_100010284732_100000230085 [0,1,0,0,0,1|2,0,0]=4 123 B21R2.319078 CCOC(=O)c1c(cnn1C)CC(C)c2ccccc2 271570a_100000062452_100012569109 [0,1,0,0,0,1|2,0,0]=4 124 B21R2.319078 CCOC(=O)c1c(cnn1C)SC(C)c2ccccc2 62a_100000230085_100012569109 [0,1,0,0,0,1|2,0,0]=4 125 B21R2.319078 CCOC(=O)c1c(cnn1C)SC(C)c2ccccc2 62a_100012569109_100000230085 [0,1,0,0,0,1|2,0,0]=4 126 B21R2.319078 CCOC(=O)c1c(csc1C)OC(C)c2ccccc2 34a_100000078718_100000211855 [0,1,0,0,0,1|2,0,0]=4 127 B21R2.319078 CCOC(=O)c1c(csc1C)OC(C)c2ccccc2 7a_100000078718_100000230085 [0,1,0,0,0,1|2,0,0]=4 128 B21R2.319078 CCOC(=O)c1c(n[nH]c1CC(C)c2ccccc2)N 271570a_100000062452_100011165294 [0,1,0,0,0,1|2,0,0]=4 129 B21R2.319078 CCOC(=O)c1c(n[nH]c1SC(C)c2ccccc2)N 62a_100000230085_100011165294 [0,1,0,0,0,1|2,0,0]=4 130 B21R2.321664 CCOC(=O)c1[nH]ncc1SC(C)c2ccccc2Cl 62a_100000181259_100102524952 [0,1,0,0,0,1|2,0,0]=4 131 B21R2.321664 CCOC(=O)c1[nH]ncc1SC(C)c2ccccc2F 62a_200000741388_100102524952 [0,1,0,0,0,1|2,0,0]=4 132 B21R2.321664 CCOC(=O)c1cscc1SC(C)c2ccccc2Cl 62a_100000181259_100012353568 [0,1,0,0,0,1|2,0,0]=4 133 B21R2.321664 CCOC(=O)c1cscc1SC(C)c2ccccc2F 62a_200000741388_100012353568 [0,1,0,0,0,1|2,0,0]=4 134 B19R2.9305 CCNc1ccnc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100011649949 [0,0,1,1,0,0|2,0,0]=4 135 B19R2.9305 CCOc1cc(ncn1)N[C@H](C)c2ccccc2 27a_100000751104_100000765465 [0,0,1,1,0,0|2,0,0]=4 136 B19R2.9305 CCOc1cccc(c1)NC(C)c2ccccc2 2230a_100000742568_100000230085 [0,0,1,1,0,0|2,0,0]=4 137 B19R2.9305 CCOc1cccc(c1)NC(C)c2ccccc2 34a_100000742568_100000211855 [0,0,1,1,0,0|2,0,0]=4 138 B19R2.9305 CCOc1ccnc(c1)CC(C)c2ccccc2 271570a_100000062452_100011922638 [0,0,1,1,0,0|2,0,0]=4 139 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccccn2 27a_100000181244_100009995529 [0,0,1,1,0,0|2,0,0]=4 140 B19R2.9305 CCOc1ccnc(c1)NC(C)c2cccnc2 27a_100000195435_100009995529 [0,0,1,1,0,0|2,0,0]=4 141 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccncc2 27a_100000181269_100009995529 [0,0,1,1,0,0|2,0,0]=4 142 B19R2.9305 CCOc1ccnc(c1)N[C@H](C)c2ccccc2 27a_100000751104_100009995529 [0,0,1,1,0,0|1,0,0]=3 143 B19R2.9305 CCOc1ccnc(c1)SC(C)c2ccccc2 62a_100000230085_100011922638 [0,0,1,1,0,0|2,0,0]=4 144 B19R2.9305 CCOc1ccnc(c1)SC(C)c2ccccc2 62a_100009995529_100000230085 [0,0,1,1,0,0|2,0,0]=4 145 B19R2.9305 CCOc1ccnc(n1)CC(C)c2ccccc2 271570a_100000062452_100011649779 [0,0,1,1,0,0|2,0,0]=4 146 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccccn2 27a_100000181244_100011649779 [0,0,1,1,0,0|2,0,0]=4 147 B19R2.9305 CCOc1ccnc(n1)NC(C)c2cccnc2 27a_100000195435_100011649779 [0,0,1,1,0,0|2,0,0]=4 148 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccncc2 27a_100000181269_100011649779 [0,0,1,1,0,0|2,0,0]=4 149 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100011649779 [0,0,1,1,0,0|1,0,0]=3 150 B19R2.9305 CCOc1ccnc(n1)SC(C)c2ccccc2 62a_100000230085_100011649779 [0,0,1,1,0,0|2,0,0]=4 151 B19R2.9305 CCOc1ccnc(n1)SC(C)c2ccccc2 62a_100011649779_100000230085 [0,0,1,1,0,0|2,0,0]=4 152 B19R2.9461 CCCc1ncncc1N[C@H](C)c2ccccc2 27a_100000751104_100009816987 [0,0,1,1,0,0|2,0,0]=4 153 B19R2.9461 CCOc1ccccc1NC(C)c2ccccc2 34a_100000211218_100000211855 [0,0,1,1,0,0|2,0,0]=4 154 B19R3.2385 C1=C(CCC1)c2cncn2Cc3ccccc3 271570a_100000089523_100010116847 [1,0,0,1,0,0|2,0,0]=4 155 B19R3.324123 C=C(c1cncn1Cc2ccccc2)C3CC3 271570a_100010895485_100010116847 [1,0,0,1,0,0|2,0,0]=4 156 B21R3.26679 CCOC(=O)c1[nH]ncc1SC2Cc3c2cccc3 62a_100009813401_100102524952 [0,0,0,1,0,1|2,0,0]=4 157 B21R3.26679 CCOC(=O)c1cscc1SC2Cc3c2cccc3 62a_100009813401_100012353568 [0,0,0,1,0,1|2,0,0]=4 158 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccccn1 2230a_100000181244_100016267167 [0,0,1,0,1,0|1,0,1]=4 159 B17R1.956 CCOC(=O)/C=C/CNC(C)c1cccnc1 2230a_100000195435_100016267167 [0,0,1,0,1,0|1,0,1]=4 160 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccncc1 2230a_100000181269_100016267167 [0,0,1,0,1,0|1,0,1]=4 161 B17R1.956 CCOC(=O)/C=C/CN[C@H](C)c1ccccc1 2230a_100000751104_100016267167 [0,0,1,0,1,0|0,0,1]=3 162 B17R1.956 CCOC(=O)/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100016267167 [0,0,1,0,1,0|1,0,1]=4 163 B17R1.956 CCOC(=O)/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100016267167 [0,0,1,0,1,0|1,0,1]=4 164 B17R1.956 CCOC(=O)/C=C/CSC(C)c1ccccc1 62a_100000230085_100016267167 [0,0,1,0,1,0|1,0,1]=4 165 B17R1.956 CCOC(=O)/C=C/CSC(C)c1ccccc1 62a_100016267167_100000230085 [0,0,1,0,1,0|1,0,1]=4 166 B17R2.179 CCOC(=O)c1[nH]ncc1c2ccccc2 271570a_100011218836_100102524952 [1,0,0,0,1,0|2,0,0]=4 167 B17R2.179 CCOC(=O)c1cscc1c2ccccc2 271570a_100011218836_100012353568 [1,0,0,0,1,0|2,0,0]=4 168 B19R2.268 CCOC(=O)c1cncc(c1)Sc2ccccc2 62a_100000170250_100000041952 [1,0,0,0,0,1|2,0,0]=4 169 B19R2.268 CCOC(=O)c1cncc(c1)Sc2ccccc2 62a_100000719477_100000170250 [1,0,0,0,0,1|2,0,0]=4 170 B19R2.268 CCOC(=O)c1cncc(n1)Nc2ccccc2 27a_100000106764_100012185986 [1,0,0,0,0,1|2,0,0]=4 171 B19R2.268 CCOC(=O)c1cncc(n1)Sc2ccccc2 62a_100000719477_100012185986 [1,0,0,0,0,1|2,0,0]=4 172 B19R2.268 CCOC(=O)c1cncc(n1)Sc2ccccc2 62a_100012185986_100000041952 [1,0,0,0,0,1|2,0,0]=4 173 B19R2.10501 CCOC(=O)c1ccncc1Sc2ccccc2 62a_100000719477_100010238393 [1,0,0,0,0,1|2,0,0]=4 174 B19R2.10501 CCOC(=O)c1ccncc1Sc2ccccc2 62a_100010238393_100000041952 [1,0,0,0,0,1|2,0,0]=4 175 B19R2.10501 CCOC(=O)c1cnccc1Nc2ccccc2 27a_100000106764_100016987518 [1,0,0,0,0,1|2,0,0]=4 176 B19R2.10501 CCOC(=O)c1cnccc1Sc2ccccc2 62a_100000719477_100016987518 [1,0,0,0,0,1|2,0,0]=4 177 B19R2.10501 CCOC(=O)c1cncnc1Nc2ccccc2 27a_100000106764_100011998183 [1,0,0,0,0,1|2,0,0]=4 178 B19R2.10501 CCOC(=O)c1cncnc1Sc2ccccc2 62a_100000719477_100011998183 [1,0,0,0,0,1|2,0,0]=4 179 B19R2.10501 CCOC(=O)c1ncncc1Nc2ccccc2 27a_100000106764_100012344254 [1,0,0,0,0,1|2,0,0]=4 180 B19R2.10501 CCOC(=O)c1ncncc1Sc2ccccc2 62a_100000719477_100012344254 [1,0,0,0,0,1|2,0,0]=4 181 B19R2.10501 CCOC(=O)c1ncncc1Sc2ccccc2 62a_100012344254_100000041952 [1,0,0,0,0,1|2,0,0]=4 182 B19R2.10721 CCOC(=O)c1[nH]ncc1CNc2ccccc2 270302a_100000106764_100000685992 [1,0,0,0,0,1|2,0,0]=4 183 B19R2.10721 CCOC(=O)c1[nH]ncc1SCc2ccccc2 62a_100000211182_100102524952 [1,0,0,0,0,1|2,0,0]=4 184 B19R2.10721 CCOC(=O)c1cscc1SCc2ccccc2 62a_100000211182_100012353568 [1,0,0,0,0,1|2,0,0]=4 185 B19R2.10855 CC#CC(=O)Cc1cncn1Cc2ccccc2 1458a_100000763181_100000709293 [1,0,0,0,0,1|1,0,1]=4 186 B19R2.10855 CC=CC(=O)Cc1cncn1Cc2ccccc2 1458a_100000210699_100000709293 [1,0,0,0,0,1|1,0,1]=4 187 B19R2.10855 CCCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000211992_100000709293 [1,0,0,0,0,1|1,0,0]=3 188 B19R2.10855 COCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000210968_100000709293 [1,0,0,0,0,1|2,0,0]=4 189 B19R2.10855 CSCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000184570_100000709293 [1,0,0,0,0,1|2,0,0]=4 190 B19R2.10855 O=C(CCO)Cc1cncn1Cc2ccccc2 1458a_100011216618_100000709293 [1,0,0,0,0,1|2,0,0]=4 191 B19R2.12875 COC(=O)c1[nH]ncc1CC(C)c2ccccc2 271570a_100000062452_100011934057 [1,0,0,0,0,1|2,0,0]=4 192 B19R2.12875 COC(=O)c1[nH]ncc1SC(C)c2ccccc2 62a_100000230085_100012355743 [1,0,0,0,0,1|2,0,0]=4 193 B19R2.12875 COC(=O)c1cscc1CC(C)c2ccccc2 271570a_100000062452_100012351140 [1,0,0,0,0,1|2,0,0]=4 194 B19R2.12875 COC(=O)c1cscc1SC(C)c2ccccc2 62a_100000230085_100012351140 [1,0,0,0,0,1|2,0,0]=4 195 B19R2.12875 COC(=O)c1cscc1SC(C)c2ccccc2 62a_100012351140_100000230085 [1,0,0,0,0,1|2,0,0]=4 196 B19R2.10578 CCNC(=O)c1cn(nn1)C(C)c2ccccc2 274090a_100000230085_100012024860 [0,0,0,0,1,1|2,0,0]=4 197 B19R2.10578 CCOC(=O)c1cn(nn1)C(C)c2ccccc2 274090a_100000230085_100000211265 [0,0,0,0,1,1|1,0,0]=3 198 B21R2.17418 CCNC(=O)c1cncc(c1)CC(C)c2ccccc2 271570a_100000062452_200000155184 [0,0,0,0,0,2|2,0,0]=4 199 B21R2.17418 CCNC(=O)c1cncc(c1)N[C@H](C)c2ccccc2 27a_100000751104_200000155184 [0,0,0,0,0,2|2,0,0]=4 200 B21R2.17418 CCNC(=O)c1cncc(c1)SC(C)c2ccccc2 62a_100000230085_200000155184 [0,0,0,0,0,2|2,0,0]=4 201 B21R2.17418 CCNC(=O)c1cncc(c1)SC(C)c2ccccc2 62a_200000155184_100000230085 [0,0,0,0,0,2|2,0,0]=4 202 B21R2.17418 CCOC(=O)c1cccc(c1)CC(C)c2ccccc2 271570a_100000062452_100000170211 [0,0,0,0,0,2|2,0,0]=4 203 B21R2.17418 CCOC(=O)c1cccc(c1)OC(C)c2ccccc2 7a_100000169910_100000230085 [0,0,0,0,0,2|2,0,0]=4 204 B21R2.17418 CCOC(=O)c1cccc(c1)SC(C)c2ccccc2 62a_100000170211_100000230085 [0,0,0,0,0,2|2,0,0]=4 205 B21R2.17418 CCOC(=O)c1cccc(c1)SC(C)c2ccccc2 62a_100000230085_100000170211 [0,0,0,0,0,2|2,0,0]=4 206 B21R2.17418 CCOC(=O)c1cccc(n1)CC(C)c2ccccc2 271570a_100000062452_100000695914 [0,0,0,0,0,2|2,0,0]=4 207 B21R2.17418 CCOC(=O)c1cccc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100000695914 [0,0,0,0,0,2|2,0,0]=4 208 B21R2.17418 CCOC(=O)c1cccc(n1)SC(C)c2ccccc2 62a_100000230085_100000695914 [0,0,0,0,0,2|2,0,0]=4 209 B21R2.17418 CCOC(=O)c1cccc(n1)SC(C)c2ccccc2 62a_100000695914_100000230085 [0,0,0,0,0,2|2,0,0]=4 210 B21R2.17418 CCOC(=O)c1cncc(c1)CC(C)c2ccccc2 271570a_100000062452_100000170250 [0,0,0,0,0,2|1,0,0]=3 211 B21R2.17418 CCOC(=O)c1cncc(c1)OC(C)c2ccccc2 7a_100000185702_100000230085 [0,0,0,0,0,2|1,0,0]=3 212 B21R2.17418 CCOC(=O)c1cncc(c1)SC(C)c2ccccc2 62a_100000170250_100000230085 [0,0,0,0,0,2|1,0,0]=3 213 B21R2.17418 CCOC(=O)c1cncc(c1)SC(C)c2ccccc2 62a_100000230085_100000170250 [0,0,0,0,0,2|1,0,0]=3 214 B21R2.17418 CCOC(=O)c1cncc(n1)CC(C)c2ccccc2 271570a_100000062452_100012185986 [0,0,0,0,0,2|1,0,0]=3 215 B21R2.17418 CCOC(=O)c1cncc(n1)NC(C)c2ccccn2 27a_100000181244_100012185986 [0,0,0,0,0,2|2,0,0]=4 216 B21R2.17418 CCOC(=O)c1cncc(n1)NC(C)c2cccnc2 27a_100000195435_100012185986 [0,0,0,0,0,2|2,0,0]=4 217 B21R2.17418 CCOC(=O)c1cncc(n1)NC(C)c2ccncc2 27a_100000181269_100012185986 [0,0,0,0,0,2|2,0,0]=4 218 B21R2.17418 CCOC(=O)c1cncc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100012185986 [0,0,0,0,0,2|1,0,0]=3 219 B21R2.17418 CCOC(=O)c1cncc(n1)SC(C)c2ccccc2 62a_100000230085_100012185986 [0,0,0,0,0,2|1,0,0]=3 220 B21R2.17418 CCOC(=O)c1cncc(n1)SC(C)c2ccccc2 62a_100012185986_100000230085 [0,0,0,0,0,2|1,0,0]=3 221 B21R2.17418 CCOC(=O)c1cnnc(c1)CC(C)c2ccccc2 271570a_100000062452_100009853686 [0,0,0,0,0,2|2,0,0]=4 222 B21R2.17418 CCOC(=O)c1cnnc(c1)N[C@H](C)c2ccccc2 27a_100000751104_100009853686 [0,0,0,0,0,2|2,0,0]=4 223 B21R2.17418 CCOC(=O)c1cnnc(c1)SC(C)c2ccccc2 62a_100000230085_100009853686 [0,0,0,0,0,2|2,0,0]=4 224 B21R2.17443 CCOC(=O)c1cncc(n1)N(C)Cc2ccccc2 27a_100000186898_100012185986 [0,0,0,0,0,2|2,0,0]=4 225 B21R2.17583 CCOC(=O)c1cnccc1N(C)Cc2ccccc2 27a_100000186898_100016987518 [0,0,0,0,0,2|2,0,0]=4 226 B21R2.17583 CCOC(=O)c1cncnc1N(C)Cc2ccccc2 27a_100000186898_100011998183 [0,0,0,0,0,2|2,0,0]=4 227 B21R2.17583 CCOC(=O)c1ncncc1N(C)Cc2ccccc2 27a_100000186898_100012344254 [0,0,0,0,0,2|2,0,0]=4 228 B21R2.17607 CCOC(=O)c1ccccc1CC(C)c2ccccc2 271570a_100000062452_100000169879 [0,0,0,0,0,2|2,0,0]=4 229 B21R2.17607 CCOC(=O)c1ccccc1OC(C)c2ccccc2 7a_100000169922_100000230085 [0,0,0,0,0,2|2,0,0]=4 230 B21R2.17607 CCOC(=O)c1ccccc1SC(C)c2ccccc2 62a_100000169876_100000230085 [0,0,0,0,0,2|2,0,0]=4 231 B21R2.17607 CCOC(=O)c1ccccc1SC(C)c2ccccc2 62a_100000230085_100000169879 [0,0,0,0,0,2|2,0,0]=4 232 B21R2.17607 CCOC(=O)c1cccnc1CC(C)c2ccccc2 271570a_100000062452_100000170124 [0,0,0,0,0,2|2,0,0]=4 233 B21R2.17607 CCOC(=O)c1cccnc1N[C@H](C)c2ccccc2 27a_100000751104_100000170124 [0,0,0,0,0,2|2,0,0]=4 234 B21R2.17607 CCOC(=O)c1cccnc1SC(C)c2ccccc2 62a_100000230085_100000170124 [0,0,0,0,0,2|2,0,0]=4 235 B21R2.17607 CCOC(=O)c1cccnc1SC(C)c2ccccc2 62a_100011291640_100000230085 [0,0,0,0,0,2|2,0,0]=4 236 B21R2.17607 CCOC(=O)c1ccncc1CC(C)c2ccccc2 271570a_100000062452_100010238393 [0,0,0,0,0,2|1,0,0]=3 237 B21R2.17607 CCOC(=O)c1ccncc1SC(C)c2ccccc2 62a_100000230085_100010238393 [0,0,0,0,0,2|1,0,0]=3 238 B21R2.17607 CCOC(=O)c1ccncc1SC(C)c2ccccc2 62a_100010238393_100000230085 [0,0,0,0,0,2|1,0,0]=3 239 B21R2.17607 CCOC(=O)c1cnccc1CC(C)c2ccccc2 271570a_100000062452_100016987518 [0,0,0,0,0,2|1,0,0]=3 240 B21R2.17607 CCOC(=O)c1cnccc1NC(C)c2ccccn2 27a_100000181244_100016987518 [0,0,0,0,0,2|2,0,0]=4 241 B21R2.17607 CCOC(=O)c1cnccc1NC(C)c2cccnc2 27a_100000195435_100016987518 [0,0,0,0,0,2|2,0,0]=4 242 B21R2.17607 CCOC(=O)c1cnccc1NC(C)c2ccncc2 27a_100000181269_100016987518 [0,0,0,0,0,2|2,0,0]=4 243 B21R2.17607 CCOC(=O)c1cnccc1N[C@H](C)c2ccccc2 27a_100000751104_100016987518 [0,0,0,0,0,2|1,0,0]=3 244 B21R2.17607 CCOC(=O)c1cnccc1SC(C)c2ccccc2 62a_100000230085_100016987518 [0,0,0,0,0,2|1,0,0]=3 245 B21R2.17607 CCOC(=O)c1cncnc1CC(C)c2ccccc2 271570a_100000062452_100011998183 [0,0,0,0,0,2|1,0,0]=3 246 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2ccccn2 27a_100000181244_100011998183 [0,0,0,0,0,2|2,0,0]=4 247 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2cccnc2 27a_100000195435_100011998183 [0,0,0,0,0,2|2,0,0]=4 248 B21R2.17607 CCOC(=O)c1cncnc1NC(C)c2ccncc2 27a_100000181269_100011998183 [0,0,0,0,0,2|2,0,0]=4 249 B21R2.17607 CCOC(=O)c1cncnc1N[C@H](C)c2ccccc2 27a_100000751104_100011998183 [0,0,0,0,0,2|1,0,0]=3 250 B21R2.17607 CCOC(=O)c1cncnc1SC(C)c2ccccc2 62a_100000230085_100011998183 [0,0,0,0,0,2|1,0,0]=3 251 B21R2.17607 CCOC(=O)c1ncccc1CC(C)c2ccccc2 271570a_100000062452_100012351660 [0,0,0,0,0,2|2,0,0]=4 252 B21R2.17607 CCOC(=O)c1ncccc1OC(C)c2ccccc2 7a_200011376064_100000230085 [0,0,0,0,0,2|2,0,0]=4 253 B21R2.17607 CCOC(=O)c1ncccc1SC(C)c2ccccc2 62a_100000230085_100012351660 [0,0,0,0,0,2|2,0,0]=4 254 B21R2.17607 CCOC(=O)c1ncccc1SC(C)c2ccccc2 62a_100012351660_100000230085 [0,0,0,0,0,2|2,0,0]=4 255 B21R2.17607 CCOC(=O)c1ncncc1CC(C)c2ccccc2 271570a_100000062452_100012344254 [0,0,0,0,0,2|1,0,0]=3 256 B21R2.17607 CCOC(=O)c1ncncc1NC(C)c2ccccn2 27a_100000181244_100012344254 [0,0,0,0,0,2|2,0,0]=4 257 B21R2.17607 CCOC(=O)c1ncncc1NC(C)c2cccnc2 27a_100000195435_100012344254 [0,0,0,0,0,2|2,0,0]=4 258 B21R2.17607 CCOC(=O)c1ncncc1NC(C)c2ccncc2 27a_100000181269_100012344254 [0,0,0,0,0,2|2,0,0]=4 259 B21R2.17607 CCOC(=O)c1ncncc1N[C@H](C)c2ccccc2 27a_100000751104_100012344254 [0,0,0,0,0,2|1,0,0]=3 260 B21R2.17607 CCOC(=O)c1ncncc1SC(C)c2ccccc2 62a_100000230085_100012344254 [0,0,0,0,0,2|1,0,0]=3 261 B21R2.17607 CCOC(=O)c1ncncc1SC(C)c2ccccc2 62a_100012344254_100000230085 [0,0,0,0,0,2|1,0,0]=3 262 B21R2.17796 CCOC(=O)c1[nH]ncc1SC(C)Cc2ccccc2 62a_200011218536_100102524952 [0,0,0,0,0,2|2,0,0]=4 263 B21R2.17796 CCOC(=O)c1cscc1SC(C)Cc2ccccc2 62a_200011218536_100012353568 [0,0,0,0,0,2|2,0,0]=4 264 B21R2.17808 CCOC(=O)c1[nH]ncc1CN[C@H](C)c2ccccc2 270004a_100000751104_100000685992 [0,0,0,0,0,2|2,0,0]=4 265 B21R2.17808 CCOC(=O)c1[nH]ncc1SCC(C)c2ccccc2 62a_100000756946_100102524952 [0,0,0,0,0,2|2,0,0]=4 266 B21R2.17808 CCOC(=O)c1cscc1SCC(C)c2ccccc2 62a_100000756946_100012353568 [0,0,0,0,0,2|2,0,0]=4