0 B21R3.3117 c1ccc(cc1)c2ccc(cc2)OCC3CCOC3 34a_100000210548_100011261433 [2,0,0,0,0,0|2,0,0]=4 1 B21R3.3117 c1ccc(cc1)c2ccc(cc2)OCC3CCOC3 7a_100000210548_100000702531 [2,0,0,0,0,0|2,0,0]=4 2 B21R3.3117 c1ccc(nc1)c2ccc(cc2)NCC3CCOC3 34a_100000733560_100011261433 [2,0,0,0,0,0|2,0,0]=4 3 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCCC3 34a_100012184434_100000740388 [2,0,0,0,0,0|2,0,0]=4 4 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCCC3 7a_100012184434_100000740388 [2,0,0,0,0,0|2,0,0]=4 5 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCOC3 34a_100012184434_100011261433 [2,0,0,0,0,0|1,0,0]=3 6 B21R3.3117 c1ccc(nc1)c2ccc(cc2)OCC3CCOC3 7a_100012184434_100000702531 [2,0,0,0,0,0|1,0,0]=3 7 B21R3.3117 c1ccc(nc1)c2ccc(cc2)SCC3CCOC3 62a_100000702531_100010140346 [2,0,0,0,0,0|1,1,0]=4 8 B21R3.3117 c1ccc(nc1)c2ccc(cc2)SCC3CCOC3 62a_100010140346_100000702531 [2,0,0,0,0,0|1,1,0]=4 9 B21R3.7372 Cc1cc(n[nH]1)c2ccc(cc2)SCC3CCOC3 62a_100000702531_200009814614 [1,0,0,0,1,0|1,1,0]=4 10 B21R3.7372 Cc1cc(n[nH]1)c2ccc(cc2)SCC3CCOC3 62a_200009814614_100000702531 [1,0,0,0,1,0|1,1,0]=4 11 B21R3.7372 Cc1nc(cs1)c2ccc(cc2)OCC3CCOC3 34a_100000025282_100011261433 [1,0,0,0,1,0|2,0,0]=4 12 B21R3.7372 Cc1nc(cs1)c2ccc(cc2)OCC3CCOC3 7a_100000025282_100000702531 [1,0,0,0,1,0|2,0,0]=4 13 B21R3.7372 Nc1cc(n[nH]1)c2ccc(cc2)SCC3CCOC3 62a_100011225247_100000702531 [1,0,0,0,1,0|1,1,0]=4 14 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)OCC3CCCC3 7a_100000025280_100000740388 [1,0,0,0,1,0|2,0,0]=4 15 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)OCC3CCOC3 7a_100000025280_100000702531 [1,0,0,0,1,0|1,0,0]=3 16 B21R3.7372 Nc1nc(cs1)c2ccc(cc2)SCC3CCOC3 62a_100000168869_100000702531 [1,0,0,0,1,0|1,1,0]=4 17 B21R3.7868 Nc1cccc(n1)c2ccc(cc2)OC3CCCC3 271570a_200000757637_100000740741 [1,0,0,0,1,0|2,0,0]=4 18 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)N[C@@H]3CCOC3 27a_200015188469_100011684108 [1,0,0,0,1,0|1,0,1]=4 19 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)N[C@H]3CCOC3 27a_100015188467_100011684108 [1,0,0,0,1,0|1,0,1]=4 20 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)OC3CCCC3 271570a_200000757637_100009820717 [1,0,0,0,1,0|1,0,1]=4 21 B21R3.7868 Nc1nccc(n1)c2ccc(cc2)SC3CCOC3 62a_100011684108_100000690089 [1,0,0,0,1,0|0,1,1]=4 22 B21R3.7868 O=c1cc(cc[nH]1)c2ccc(cc2)OC3CCCC3 271570a_200000757637_100009816521 [1,0,0,0,1,0|2,0,0]=4 23 B21R3.7868 O=c1nc(cc[nH]1)c2ccc(cc2)OC3CCCC3 271570a_200000757637_200000134032 [1,0,0,0,1,0|2,0,0]=4 24 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)NCC3CCC3 27a_100000738700_100011684108 [1,0,0,0,1,0|1,0,1]=4 25 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)NCC3COC3 27a_100015281925_100011684108 [1,0,0,0,1,0|1,0,1]=4 26 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)NC[C@@H]3CCO3 27a_100020831831_100011684108 [1,0,0,0,1,0|1,0,1]=4 27 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)SCC3CCC3 62a_100011684108_100000763275 [1,0,0,0,1,0|0,1,1]=4 28 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)SCC3CCO3 62a_100011684108_100000103362 [1,0,0,0,1,0|0,1,1]=4 29 B21R3.150448 Nc1nccc(n1)c2ccc(cc2)SCC3COC3 62a_100011684108_100010264016 [1,0,0,0,1,0|0,1,1]=4 30 B21R3.149705 O=C1C=C(C(=O)N1)c2ccc(cc2)SC3CCOC3 62a_100000722110_100000690089 [0,0,0,0,2,0|1,1,0]=4 31 B21R3.140353 Cc1cc(cc(=O)[nH]1)c2ccc(cc2)OCC3CC3 271570a_100000742428_100009861981 [0,0,0,0,2,0|2,0,0]=4 32 B21R3.140353 Cc1cc(cc(=O)[nH]1)c2ccc(cc2)OCC3CO3 271570a_100010199715_100009861981 [0,0,0,0,2,0|2,0,0]=4 33 B21R3.140353 Cc1cc(nc(c1)c2ccc(cc2)OCC3CC3)N 271570a_100000742428_100009819863 [0,0,0,0,2,0|2,0,0]=4 34 B21R3.140353 Cc1cc(nc(c1)c2ccc(cc2)OCC3CO3)N 271570a_100010199715_100009819863 [0,0,0,0,2,0|2,0,0]=4 35 B21R3.140353 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CC3 271570a_100000742428_100000183061 [0,0,0,0,2,0|1,0,1]=4 36 B21R3.140353 Cc1cc(nc(n1)N)c2ccc(cc2)OCC3CO3 271570a_100010199715_100000183061 [0,0,0,0,2,0|1,0,1]=4 37 B21R3.140353 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CC3 271570a_100000742428_100011177858 [0,0,0,0,2,0|1,0,1]=4 38 B21R3.140353 Nc1cc(nc(n1)N)c2ccc(cc2)OCC3CO3 271570a_100010199715_100011177858 [0,0,0,0,2,0|1,0,1]=4 39 B21R3.140353 Nc1nc(cc(n1)c2ccc(cc2)OCC3CC3)O 271570a_100000742428_100000694715 [0,0,0,0,2,0|0,0,2]=4 40 B21R3.140353 Nc1nc(cc(n1)c2ccc(cc2)OCC3CO3)O 271570a_100010199715_100000694715 [0,0,0,0,2,0|0,0,2]=4 41 B21R3.140353 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CC3 271570a_100000742428_100000015670 [0,0,0,0,2,0|1,0,1]=4 42 B21R3.140353 O=c1cc([nH]c(=O)[nH]1)c2ccc(cc2)OCC3CO3 271570a_100010199715_100000015670 [0,0,0,0,2,0|1,0,1]=4 43 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3CCC3 62a_100000722110_100000763275 [0,0,0,0,2,0|1,1,0]=4 44 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3CCC3 62a_100000763275_100000722110 [0,0,0,0,2,0|1,1,0]=4 45 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3CCO3 62a_100000103362_100000722110 [0,0,0,0,2,0|1,1,0]=4 46 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3CCO3 62a_100000722110_100000103362 [0,0,0,0,2,0|1,1,0]=4 47 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3COC3 62a_100000722110_100010264016 [0,0,0,0,2,0|1,1,0]=4 48 B21R3.149693 O=C1C=C(C(=O)N1)c2ccc(cc2)SCC3COC3 62a_100010264016_100000722110 [0,0,0,0,2,0|1,1,0]=4