0 B22R3.747917 CCc1cc(nc(n1)N)NCc2ccc3cc[nH]c3c2 27a_100011912548_100000069509 [0,1,0,0,0,0|2,0,1]=4 1 B22R3.747917 CNc1nc(cc(n1)NCc2ccc3cc[nH]c3c2)C 27a_100011912548_100011202761 [0,1,0,0,0,0|2,0,1]=4 2 B22R3.747917 COc1cc(nc(n1)N)NCc2ccc3cc[nH]c3c2 27a_100011912548_100010270236 [0,1,0,0,0,0|1,0,2]=4 3 B22R3.2991592 Cc1c([nH]c(=O)[nH]c1=O)NCc2ccc3cc[nH]c3c2 27a_100011912548_200009866310 [0,1,0,0,0,0|2,0,1]=4 4 B22R3.2991592 Cc1nc(nc(c1C)NCc2ccc3cc[nH]c3c2)N 27a_100011912548_100000076065 [0,1,0,0,0,0|2,0,1]=4 5 B22R3.2991592 Cn1c(cc(=O)[nH]c1=O)NCc2ccc3cc[nH]c3c2 27a_100011912548_100000093302 [0,1,0,0,0,0|2,0,1]=4 6 B22R3.5264120 O=c1cc(nc([nH]1)O)CNc2cc(c3cc[nH]c3c2)F 34a_100000085187_100000185147 [0,1,0,0,0,0|2,0,0]=3 7 B22R3.5264120 O=c1cc(nc([nH]1)O)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000185147 [0,1,0,0,0,0|2,0,0]=3 8 B22R3.5264120 O=c1cc(nc([nH]1)O)CSc2cc(c3cc[nH]c3c2)F 62a_100010186028_100000185147 [0,1,0,0,0,0|2,0,0]=3 9 B22R3.5264120 O=c1cc(nc([nH]1)O)CSc2cc(c3cn[nH]c3c2)Br 62a_100009814768_100000185147 [0,1,0,0,0,0|3,0,0]=4 10 B22R3.5265328 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3cc[nH]c3c2 1458a_100000739399_100000185147 [0,1,0,0,0,0|1,0,1]=3 11 B22R3.5265328 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3ccoc3c2 1458a_100000077109_100000185147 [0,1,0,0,0,0|2,0,1]=4 12 B22R3.5265328 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3ccsc3c2 1458a_100000045399_100000185147 [0,1,0,0,0,0|2,0,1]=4 13 B22R3.5265328 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3cn[nH]c3c2 1458a_102516607281_100000185147 [0,1,0,0,0,0|2,0,1]=4 14 B22R3.5266003 Cc1cc2ccsc2cc1SCc3cc(=O)[nH]c(n3)O 62a_100010762285_100000185147 [0,1,0,0,0,0|3,0,0]=4 15 B22R3.5266003 Nc1cc2cn[nH]c2cc1SCc3cc(=O)[nH]c(n3)O 62a_100011012411_100000185147 [0,1,0,0,0,0|3,0,0]=4 16 B22R3.5266003 O=c1cc(nc([nH]1)O)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000185147 [0,1,0,0,0,0|2,0,0]=3 17 B22R3.5266003 O=c1cc(nc([nH]1)O)CSc2cc3[nH]ccc3cc2F 62a_100009817181_100000185147 [0,1,0,0,0,0|2,0,0]=3 18 B22R3.5266003 O=c1cc(nc([nH]1)O)CSc2cc3[nH]ncc3cc2F 62a_100010131892_100000185147 [0,1,0,0,0,0|3,0,0]=4 19 B22R3.5266067 Cc1cc2ccc(cc2[nH]1)OCc3cc(=O)[nH]c(n3)O 34a_100000058111_100000185147 [0,1,0,0,0,0|2,0,0]=3 20 B22R3.5266067 Cc1cc2ccc(cc2o1)OCc3cc(=O)[nH]c(n3)O 34a_100000095638_100000185147 [0,1,0,0,0,0|3,0,0]=4 21 B22R3.5266067 Cc1cc2ccc(cc2o1)OCc3cc(=O)[nH]c(n3)O 7a_100000095638_100000185147 [0,1,0,0,0,0|3,0,0]=4 22 B22R3.6984514 O=C1C=Cc2c1ccc(c2)SCc3cc(=O)[nH]c(n3)O 62a_100010210589_100000185147 [0,1,0,0,0,0|3,0,0]=4 23 B22R3.50544752 Cc1cc(cc(=O)[nH]1)NCc2ccc3ccn(c3c2)C 27a_100011934852_100009861981 [0,1,0,0,0,0|3,0,0]=4 24 B22R3.50544752 Cc1cc(nc(n1)N)NCc2ccc3ccn(c3c2)C 27a_100011934852_100000183061 [0,1,0,0,0,0|2,0,1]=4 25 B22R3.50544752 Cn1ccc2c1cc(cc2)CNc3cc(=O)[nH]c(=O)[nH]3 27a_100011934852_100000015670 [0,1,0,0,0,0|2,0,1]=4 26 B22R3.50544752 Cn1ccc2c1cc(cc2)CNc3cc(nc(n3)N)O 27a_100011934852_100000694715 [0,1,0,0,0,0|1,0,2]=4 27 B22R3.50544752 Cn1ccc2c1cc(cc2)NCc3cc(=O)[nH]c(n3)O 34a_100000712629_100000185147 [0,1,0,0,0,0|2,0,0]=3 28 B22R3.50544752 Cn1ccc2c1cc(nc2)SCc3cc(=O)[nH]c(n3)O 62a_100020639908_100000185147 [0,1,0,0,0,0|3,0,0]=4 29 B22R3.50544752 Cn1cnc2c1cc(cc2)NCc3cc(=O)[nH]c(n3)O 34a_100015183096_100000185147 [0,1,0,0,0,0|3,0,0]=4 30 B22R3.50544752 Cn1ncc2c1cc(cc2)NCc3cc(=O)[nH]c(n3)O 34a_100011329731_100000185147 [0,1,0,0,0,0|3,0,0]=4 31 B22R3.50544752 Cn1ncc2c1cc(cc2)OCc3cc(=O)[nH]c(n3)O 34a_100009862793_100000185147 [0,1,0,0,0,0|3,0,0]=4 32 B22R3.50544752 Cn1ncc2c1cc(cc2)SCc3cc(=O)[nH]c(n3)O 62a_100009817177_100000185147 [0,1,0,0,0,0|3,0,0]=4 33 B22R3.69866569 Cn1c(=O)cc([nH]c1=O)NCc2ccc3cc[nH]c3c2 27a_100011912548_100000723047 [0,1,0,0,0,0|2,0,1]=4 34 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3ccccc3c2 34a_100000211940_100000185147 [0,0,0,0,0,1|3,0,0]=4 35 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3ccccc3c2 7a_100000211940_100000185147 [0,0,0,0,0,1|3,0,0]=4 36 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3cccnc3c2 34a_100102887122_100000185147 [0,0,0,0,0,1|2,0,1]=4 37 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3cnccc3c2 34a_100000039641_100000185147 [0,0,0,0,0,1|3,0,0]=4 38 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3ncccc3c2 34a_100011198106_100000185147 [0,0,0,0,0,1|3,0,0]=4 39 B22R3.221822 O=c1cc(nc([nH]1)O)CNc2ccc3nccnc3c2 34a_100011219565_100000185147 [0,0,0,0,0,1|2,0,1]=4 40 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3ccccc3c2 34a_100000185828_100000185147 [0,0,0,0,0,1|3,0,0]=4 41 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3ccccc3c2 7a_100000185828_100000185147 [0,0,0,0,0,1|3,0,0]=4 42 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3cccnc3c2 34a_100011216045_100000185147 [0,0,0,0,0,1|2,0,1]=4 43 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3ccncc3c2 7a_100000752006_100000185147 [0,0,0,0,0,1|2,0,1]=4 44 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3cnccc3c2 34a_100000046372_100000185147 [0,0,0,0,0,1|3,0,0]=4 45 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3cnccc3c2 7a_100000046372_100000185147 [0,0,0,0,0,1|3,0,0]=4 46 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3ncccc3c2 34a_100011215586_100000185147 [0,0,0,0,0,1|3,0,0]=4 47 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3ncccc3c2 7a_100011215586_100000185147 [0,0,0,0,0,1|3,0,0]=4 48 B22R3.221822 O=c1cc(nc([nH]1)O)COc2ccc3nccnc3c2 34a_100000694412_100000185147 [0,0,0,0,0,1|2,0,1]=4 49 B22R3.221822 O=c1cc(nc([nH]1)O)CSc2ccc3ccncc3c2 62a_100000686496_100000185147 [0,0,0,0,0,1|2,0,1]=4 50 B22R3.221822 O=c1cc(nc([nH]1)O)CSc2ccc3cnccc3c2 62a_100009816743_100000185147 [0,0,0,0,0,1|3,0,0]=4 51 B22R3.221822 O=c1cc(nc([nH]1)O)CSc2ccc3cncnc3c2 62a_100010185614_100000185147 [0,0,0,0,0,1|2,0,1]=4 52 B22R3.221822 O=c1cc(nc([nH]1)O)CSc2ccc3ncccc3c2 62a_100011215947_100000185147 [0,0,0,0,0,1|3,0,0]=4 53 B22R3.221822 O=c1cc(nc([nH]1)O)CSc2ccc3nccnc3c2 62a_100011219451_100000185147 [0,0,0,0,0,1|2,0,1]=4 54 B22R3.222430 Cc1cc(cc(n1)CNCc2ccc3cc[nH]c3c2)Br 270004a_100010178683_100011218920 [0,0,0,0,0,1|3,0,0]=4 55 B22R3.222430 Cc1cc(cc(n1)CNCc2ccc3cc[nH]c3c2)Br 270004a_100011912548_100009814795 [0,0,0,0,0,1|3,0,0]=4 56 B22R3.222430 Clc1cc(nc(c1)CNCc2ccc3cc[nH]c3c2)Cl 270004a_100011912548_200009876806 [0,0,0,0,0,1|3,0,0]=4 57 B22R3.222430 O=c1cc(nc([nH]1)O)CNCc2ccc3occc3c2 2230a_100020591328_100000185147 [0,0,0,0,0,1|3,0,0]=4 58 B22R3.222430 O=c1cc(nc([nH]1)O)CNCc2ccc3occc3c2 34a_100020591328_100000185147 [0,0,0,0,0,1|3,0,0]=4 59 B22R3.222430 O=c1cc(nc([nH]1)O)CNCc2ccc3sccc3c2 2230a_100000732457_100000185147 [0,0,0,0,0,1|3,0,0]=4 60 B22R3.222430 O=c1cc(nc([nH]1)O)CNCc2ccc3sccc3c2 34a_100000732457_100000185147 [0,0,0,0,0,1|3,0,0]=4 61 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3c(c2)NCC3 34a_100000694088_100000185147 [0,0,0,0,0,1|1,0,2]=4 62 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3ccoc3c2 34a_200009859634_100000185147 [0,0,0,0,0,1|2,0,0]=3 63 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3ccoc3c2 7a_200009859634_100000185147 [0,0,0,0,0,1|2,0,0]=3 64 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3ccsc3c2 34a_100010262773_100000185147 [0,0,0,0,0,1|2,0,0]=3 65 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3ccsc3c2 7a_100010262773_100000185147 [0,0,0,0,0,1|2,0,0]=3 66 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3occc3c2 34a_100000067418_100000185147 [0,0,0,0,0,1|3,0,0]=4 67 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3occc3c2 7a_100000067418_100000185147 [0,0,0,0,0,1|3,0,0]=4 68 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3sccc3c2 34a_100000068000_100000185147 [0,0,0,0,0,1|3,0,0]=4 69 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3sccc3c2 7a_100000068000_100000185147 [0,0,0,0,0,1|3,0,0]=4 70 B22R3.222430 O=c1cc(nc([nH]1)O)COCc2ccc3scnc3c2 34a_100009883289_100000185147 [0,0,0,0,0,1|2,0,1]=4 71 B22R3.222430 O=c1cc(nc([nH]1)O)CSCc2ccc3cn[nH]c3c2 62a_100020605281_100000185147 [0,0,0,0,0,1|2,0,0]=3 72 B22R3.222430 O=c1cc(nc([nH]1)O)CSCc2ccc3ncoc3c2 62a_106359897996_100000185147 [0,0,0,0,0,1|3,0,0]=4 73 B22R3.222430 O=c1cc(nc([nH]1)O)CSCc2ccc3ncsc3c2 62a_100009847474_100000185147 [0,0,0,0,0,1|3,0,0]=4 74 B23R3.7619651 O=C(Cc1ccc2cc[nH]c2c1)Cc3cc(=O)[nH]c(n3)O 1458a_100000094508_100000185147 [0,1,0,0,0,1|1,0,0]=3 75 B23R3.7619651 O=C(Cc1ccc2nc[nH]c2c1)Cc3cc(=O)[nH]c(n3)O 1458a_100000055147_100000185147 [0,1,0,0,0,1|2,0,0]=4 76 B23R3.89577457 Cn1ccc2c1cc(cc2)CNCc3cc(=O)[nH]c(n3)O 2230a_100011934852_100000185147 [0,1,0,0,0,1|1,0,0]=3 77 B23R3.89577457 Cn1ccc2c1cc(cc2)CNCc3cc(=O)[nH]c(n3)O 34a_100011934852_100000185147 [0,1,0,0,0,1|1,0,0]=3 78 B23R3.89577457 Cn1ccc2c1cc(cc2)COCc3cc(=O)[nH]c(n3)O 34a_100011934851_100000185147 [0,1,0,0,0,1|1,0,0]=3 79 B23R3.89577457 Cn1ncc2c1cc(cc2)COCc3cc(=O)[nH]c(n3)O 34a_100000101604_100000185147 [0,1,0,0,0,1|2,0,0]=4 80 B23R3.6440920 N#Cc1c(nc([nH]c1=O)N)NCc2ccc3cc[nH]c3c2 27a_100011912548_200009962605 [0,2,0,0,0,0|1,0,0]=3 81 B23R3.6440920 N#Cc1c(nc([nH]c1=O)N)NCc2ccc3cn[nH]c3c2 27a_100011769419_200009962605 [0,2,0,0,0,0|2,0,0]=4 82 B23R3.6440920 N#Cc1c(nc([nH]c1=O)N)SCc2ccc3cn[nH]c3c2 62a_100020605281_200009962605 [0,2,0,0,0,0|2,0,0]=4 83 B23R3.71340649 Cc1cc(cc2c1cc[nH]2)C(=O)Cc3cc(=O)[nH]c(n3)O 1458a_200015282437_100000185147 [0,2,0,0,0,0|1,0,1]=4 84 B23R3.71340649 O=C(Cc1cc(=O)[nH]c(n1)O)c2cc(c3cc[nH]c3c2)Br 1458a_100102525212_100000185147 [0,2,0,0,0,0|1,0,1]=4 85 B23R3.71340649 O=C(Cc1cc(=O)[nH]c(n1)O)c2cc(c3cc[nH]c3c2)Cl 1458a_100000086644_100000185147 [0,2,0,0,0,0|1,0,1]=4 86 B23R3.71340649 O=C(Cc1cc(=O)[nH]c(n1)O)c2cc(c3cc[nH]c3c2)F 1458a_100000086646_100000185147 [0,2,0,0,0,0|1,0,1]=4 87 B23R3.7610932 O=C(Cc1cc(=O)[nH]c(n1)O)c2cc3[nH]ccc3cc2Cl 1458a_100009858578_100000185147 [0,2,0,0,0,0|1,0,1]=4 88 B23R3.7611071 Cc1cc2ccc(cc2[nH]1)C(=O)Cc3cc(=O)[nH]c(n3)O 1458a_100009852829_100000185147 [0,2,0,0,0,0|1,0,1]=4 89 B23R3.7611074 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3cc[nH]c3c2Br 1458a_100010717018_100000185147 [0,2,0,0,0,0|1,0,1]=4 90 B23R3.10433123 O=C(Cc1cc(=O)[nH]c(n1)O)c2ccc3c(c[nH]c3c2)Br 1458a_100010235667_100000185147 [0,2,0,0,0,0|1,0,1]=4 91 B23R3.89577211 Cn1ccc2c1cc(cc2)C(=O)Cc3cc(=O)[nH]c(n3)O 1458a_100011912540_100000185147 [0,2,0,0,0,0|1,0,1]=4 92 B23R3.71342288 O=C1Nc2cc(ccc2C1=O)SCc3cc(=O)[nH]c(n3)O 62a_100000239657_100000185147 [0,2,0,0,0,0|2,0,0]=4 93 B23R4.186400864 Nc1nc2[nH]c(nc2c(=O)[nH]1)c3ccc4cc[nH]c4c3 271570a_100010177849_200009813169 [0,1,0,1,0,0|1,0,1]=4 94 B23R3.109584 O=c1cc(nc([nH]1)O)CNCc2ccc3ccccc3c2 2230a_100000739491_100000185147 [0,0,0,0,0,2|2,0,0]=4 95 B23R3.109584 O=c1cc(nc([nH]1)O)CNCc2ccc3ccccc3c2 34a_100000739491_100000185147 [0,0,0,0,0,2|2,0,0]=4 96 B23R3.109584 O=c1cc(nc([nH]1)O)CNCc2ccc3ncccc3c2 34a_100000238500_100000185147 [0,0,0,0,0,2|2,0,0]=4 97 B23R3.109584 O=c1cc(nc([nH]1)O)COCc2ccc3ccccc3c2 34a_100011215330_100000185147 [0,0,0,0,0,2|2,0,0]=4 98 B23R3.109584 O=c1cc(nc([nH]1)O)COCc2ccc3ccccc3c2 7a_100011215330_100000185147 [0,0,0,0,0,2|2,0,0]=4 99 B23R3.109584 O=c1cc(nc([nH]1)O)COCc2ccc3ncccc3c2 34a_100011315636_100000185147 [0,0,0,0,0,2|2,0,0]=4 100 B23R3.109584 O=c1cc(nc([nH]1)O)CSCc2ccc3ccccc3c2 62a_100011216711_100000185147 [0,0,0,0,0,2|2,0,0]=4 101 B23R3.109584 O=c1cc(nc([nH]1)O)CSCc2ccc3cnccc3c2 62a_100020605334_100000185147 [0,0,0,0,0,2|2,0,0]=4 102 B23R3.109584 O=c1cc(nc([nH]1)O)CSCc2ccc3ncccc3c2 62a_100000703657_100000185147 [0,0,0,0,0,2|2,0,0]=4 103 B23R3.109584 O=c1cc(nc([nH]1)O)CSCc2ccc3nccnc3c2 62a_200011762199_100000185147 [0,0,0,0,0,2|1,0,1]=4