0 B37R3.7452540 CC(C)N(CCCCOCC(=O)NC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000715429_100025777035 [0,0,0,0,0,0|3,0,0]=3 1 B37R3.7452540 CC(C)N(CCCCOCC(=O)NC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100000715429_100025777035 [0,0,0,0,0,0|3,0,0]=3 2 B37R3.7452540 CC(C)N(CCCCOCC(=O)NC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000715429_100025777035 [0,0,0,0,0,0|3,0,0]=3 3 B37R3.7452540 CC(C)N(CCCCOCC(=O)NC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000715429_100025777035 [0,0,0,0,0,0|3,0,0]=3 4 B37R3.7452540 CC(C)N(CCCCOCC(=O)NC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 7a_100102421422_100000182746 [0,0,0,0,0,0|3,0,0]=3 5 B36R3.54437474 CC(C)N(CCCCOCCCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 7a_100102421422_100000754308 [1,0,0,0,0,0|1,0,1]=3 6 B36R3.140257303 CC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_100138425928_100025777035 [1,0,0,0,0,0|2,0,0]=3 7 B36R3.140257303 CC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_100138425928_100025777035 [1,0,0,0,0,0|2,0,0]=3 8 B36R3.140257303 CC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_100138425928_100025777035 [1,0,0,0,0,0|2,0,0]=3 9 B36R3.140257303 CC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 527a_100138425928_100025777035 [1,0,0,0,0,0|2,0,0]=3 10 B36R3.140257303 CC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000183996 [1,0,0,0,0,0|2,0,0]=3 11 B36R3.140257303 CC(C)OC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100011215430 [1,0,0,0,0,0|3,0,0]=4 12 B36R3.140257303 CC(O)CC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1458a_100025777035_100011218427 [1,0,0,0,0,0|2,0,1]=4 13 B38R3.33050815 C#CC(C)(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_100000054563_100025777035 [0,1,0,0,0,0|3,0,0]=4 14 B38R3.33050815 C#CC(C)(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_100000054563_100025777035 [0,1,0,0,0,0|3,0,0]=4 15 B38R3.33050815 C#CC(C)(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_100000054563_100025777035 [0,1,0,0,0,0|3,0,0]=4 16 B38R3.33050815 CC(C)N(CCCCOCC(=O)NC(C)(C)C#N)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000761509_100025777035 [0,1,0,0,0,0|3,0,0]=4 17 B38R3.33050815 CC(C)N(CCCCOCC(=O)NC(C)(C)C#N)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100000761509_100025777035 [0,1,0,0,0,0|3,0,0]=4 18 B38R3.33050815 CC(C)N(CCCCOCC(=O)NC(C)(C)C#N)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000761509_100025777035 [0,1,0,0,0,0|3,0,0]=4 19 B38R3.33050815 CCS(=O)(=O)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 2740a_100000171174_100025777035 [0,1,0,0,0,0|0,0,0]=1 20 B38R4.1645994403 CC(C)N(CCCCOCC(=O)NC1(CC1)C)c2cnc(c(n2)c3ccccc3)c4ccccc4 11a_100000757604_100025777035 [0,0,0,1,0,0|3,0,0]=4 21 B38R4.1645994403 CC(C)N(CCCCOCC(=O)NC1(CC1)C)c2cnc(c(n2)c3ccccc3)c4ccccc4 1626a_100000757604_100025777035 [0,0,0,1,0,0|3,0,0]=4 22 B38R4.1645994403 CC(C)N(CCCCOCC(=O)NC1(CC1)C)c2cnc(c(n2)c3ccccc3)c4ccccc4 240690a_100000757604_100025777035 [0,0,0,1,0,0|3,0,0]=4 23 B38R4.1645994403 CC(C)N(CCCCOCC(=O)NC1(CC1)C)c2cnc(c(n2)c3ccccc3)c4ccccc4 527a_100000757604_100025777035 [0,0,0,1,0,0|3,0,0]=4 24 B38R3.337885062 CC(C)N(CCCCOCC(=O)CCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 1458a_100025777035_100000731031 [0,0,0,0,0,1|1,0,0]=2 25 B38R3.337885062 CC(C)N(CCCCOCC(=O)CCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 7a_100102421422_100103131435 [0,0,0,0,0,1|1,0,0]=2 26 B38R3.337885062 CC(C)N(CCCCOCC(=O)CCS(=O)(=O)[O-])c1cnc(c(n1)c2ccccc2)c3ccccc3 1458a_100025777035_100000762736 [0,0,0,0,0,1|2,0,0]=3 27 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000743828_100025777035 [0,0,0,0,0,1|3,0,0]=4 28 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100000743828_100025777035 [0,0,0,0,0,1|3,0,0]=4 29 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000743828_100025777035 [0,0,0,0,0,1|3,0,0]=4 30 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000743828_100025777035 [0,0,0,0,0,1|3,0,0]=4 31 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100020643315_100025777035 [0,0,0,0,0,1|3,0,0]=4 32 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100020643315_100025777035 [0,0,0,0,0,1|3,0,0]=4 33 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100020643315_100025777035 [0,0,0,0,0,1|3,0,0]=4 34 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(C)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100020643315_100025777035 [0,0,0,0,0,1|3,0,0]=4 35 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(F)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000731000_100025777035 [0,0,0,0,0,1|3,0,0]=4 36 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(F)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100000731000_100025777035 [0,0,0,0,0,1|3,0,0]=4 37 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(F)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000731000_100025777035 [0,0,0,0,0,1|3,0,0]=4 38 B38R3.337885062 CC(C)N(CCCCOCC(=O)NCC(C)(F)F)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000731000_100025777035 [0,0,0,0,0,1|3,0,0]=4 39 B38R3.337885062 CC(C)N(CCCCOCC(=O)NC[Si](C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_102516607284_100025777035 [0,0,0,0,0,1|3,0,0]=4 40 B38R3.337885062 CC(C)N(CCCCOCC(=O)NC[Si](C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_102516607284_100025777035 [0,0,0,0,0,1|3,0,0]=4 41 B38R3.337885062 CC(C)N(CCCCOCC(=O)NC[Si](C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_102516607284_100025777035 [0,0,0,0,0,1|3,0,0]=4 42 B38R3.337885062 CC(C)N(CCCCOCC(=O)NC[Si](C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_102516607284_100025777035 [0,0,0,0,0,1|3,0,0]=4 43 B38R3.337885062 CC(C)N(CCCCOCC(=O)NNC(C)(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 22a_100000725372_100025777035 [0,0,0,0,0,1|3,0,0]=4 44 B35R3.554839 CCOC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000188475 [2,0,0,0,0,0|2,0,0]=4 45 B37R3.57460551 CC(C)NC(=O)C(C)OCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000195394 [1,1,0,0,0,0|2,0,0]=4 46 B37R3.57962652 CC(=O)C(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1458a_100025777035_100000179758 [1,1,0,0,0,0|2,0,0]=4 47 B37R3.57962652 CC(C)N(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_200000211004_100025777035 [1,1,0,0,0,0|2,0,0]=4 48 B37R3.57962652 CC(C)N(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_200000211004_100025777035 [1,1,0,0,0,0|2,0,0]=4 49 B37R3.57962652 CC(C)N(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_200000211004_100025777035 [1,1,0,0,0,0|2,0,0]=4 50 B37R3.57962652 CC(C)N(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 527a_200000211004_100025777035 [1,1,0,0,0,0|2,0,0]=4 51 B37R3.57962652 CC(C)N(C)C(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000230190 [1,1,0,0,0,0|2,0,0]=4 52 B37R3.97457346 CC(C)N(CCCCOCC(=O)N[C@H](C)CF)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100102880703_100025777035 [1,1,0,0,0,0|2,0,0]=4 53 B37R3.97457346 CC(C)N(CCCCOCC(=O)N[C@H](C)CF)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100102880703_100025777035 [1,1,0,0,0,0|2,0,0]=4 54 B37R3.97457346 CC(C)N(CCCCOCC(=O)N[C@H](C)CF)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100102880703_100025777035 [1,1,0,0,0,0|2,0,0]=4 55 B37R3.97457346 CC(C)N(CCCCOCC(=O)N[C@H](C)CF)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100102880703_100025777035 [1,1,0,0,0,0|2,0,0]=4 56 B37R3.97457346 CCC(=O)CC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1458a_100025777035_100000747405 [1,1,0,0,0,0|2,0,0]=4 57 B37R3.97457346 CCC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_100000209981_100025777035 [1,1,0,0,0,0|2,0,0]=4 58 B37R3.97457346 CCC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_100000209981_100025777035 [1,1,0,0,0,0|2,0,0]=4 59 B37R3.97457346 CCC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_100000209981_100025777035 [1,1,0,0,0,0|2,0,0]=4 60 B37R3.97457346 CCC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 527a_100000209981_100025777035 [1,1,0,0,0,0|2,0,0]=4 61 B37R3.97457346 CCC(C)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000182745 [1,1,0,0,0,0|2,0,0]=4 62 B39R3.68550036 CC(C)N(CCCCOCC(=O)NC(C)(C)C(=O)N)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000743658_100025777035 [0,2,0,0,0,0|2,0,0]=4 63 B39R3.68550036 CC(C)N(CCCCOCC(=O)NC(C)(C)C(=O)N)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000743658_100025777035 [0,2,0,0,0,0|2,0,0]=4 64 B39R3.68550036 CC(C)N(CCCCOCC(=O)NC(C)(C)C(=O)N)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000743658_100025777035 [0,2,0,0,0,0|2,0,0]=4 65 B39R3.68550036 CC(C)N(CCCCOCC(=O)NS(=O)(=O)C(C)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 2740a_100000746418_100025777035 [0,2,0,0,0,0|0,0,0]=2 66 B39R3.68965341 C=CCS(=O)(=O)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 2740a_100000694456_100025777035 [0,2,0,0,0,0|0,0,0]=2 67 B39R3.68965341 CC(C)N(CCCCOCC(=O)NS(=O)(=O)CCO)c1cnc(c(n1)c2ccccc2)c3ccccc3 2740a_100012334274_100025777035 [0,2,0,0,0,0|0,0,0]=2 68 B39R3.68965341 CCCS(=O)(=O)NC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 2740a_100000171175_100025777035 [0,2,0,0,0,0|0,0,0]=2 69 B37R4.468312758 CC(C)N(CCCCOCC(=O)NC1CC1)c2cnc(c(n2)c3ccccc3)c4ccccc4 1626a_100000212008_100025777035 [1,0,0,1,0,0|2,0,0]=4 70 B37R4.468312758 CC(C)N(CCCCOCC(=O)NC1CC1)c2cnc(c(n2)c3ccccc3)c4ccccc4 240690a_100000212008_100025777035 [1,0,0,1,0,0|2,0,0]=4 71 B37R4.468312758 CC(C)N(CCCCOCC(=O)NC1CC1)c2cnc(c(n2)c3ccccc3)c4ccccc4 527a_100000212008_100025777035 [1,0,0,1,0,0|2,0,0]=4 72 B37R4.468312758 CC(C)N(CCCCOCC(=O)NC1CC1)c2cnc(c(n2)c3ccccc3)c4ccccc4 7a_100102421422_100000182950 [1,0,0,1,0,0|2,0,0]=4 73 B37R3.57774490 C=C(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_100000765925_100025777035 [1,0,0,0,0,1|2,0,0]=4 74 B37R3.57774490 C=C(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_100000765925_100025777035 [1,0,0,0,0,1|2,0,0]=4 75 B37R3.57774490 C=C(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_100000765925_100025777035 [1,0,0,0,0,1|2,0,0]=4 76 B37R3.57774490 C=C(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 527a_100000765925_100025777035 [1,0,0,0,0,1|2,0,0]=4 77 B37R3.57774490 CC(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 11a_100000210953_100025777035 [1,0,0,0,0,1|2,0,0]=4 78 B37R3.57774490 CC(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 1626a_100000210953_100025777035 [1,0,0,0,0,1|2,0,0]=4 79 B37R3.57774490 CC(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 240690a_100000210953_100025777035 [1,0,0,0,0,1|2,0,0]=4 80 B37R3.57774490 CC(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 527a_100000210953_100025777035 [1,0,0,0,0,1|2,0,0]=4 81 B37R3.57774490 CC(C)CNC(=O)COCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000183291 [1,0,0,0,0,1|2,0,0]=4 82 B37R3.105744276 CC(C)NC(=O)CCOCCCCN(c1cnc(c(n1)c2ccccc2)c3ccccc3)C(C)C 7a_100102421422_100000737564 [1,0,0,0,0,1|2,0,0]=4 83 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 11a_100000740961_100025777035 [0,0,0,0,0,2|0,0,0]=2 84 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 1626a_100000740961_100025777035 [0,0,0,0,0,2|0,0,0]=2 85 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000740961_100025777035 [0,0,0,0,0,2|0,0,0]=2 86 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)C)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000740961_100025777035 [0,0,0,0,0,2|0,0,0]=2 87 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)N)c1cnc(c(n1)c2ccccc2)c3ccccc3 240690a_100000738205_100025777035 [0,0,0,0,0,2|1,0,0]=3 88 B39R3.151965634 CC(C)N(CCCCOCC(=O)NCCS(=O)(=O)N)c1cnc(c(n1)c2ccccc2)c3ccccc3 527a_100000738205_100025777035 [0,0,0,0,0,2|1,0,0]=3