0 B31R5.162854075 O=C(Cc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000181716 [0,0,0,0,0,0|2,1,0]=3 1 B31R5.162854075 O=C(Cc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000181716 [0,0,0,0,0,0|2,1,0]=3 2 B31R5.162854075 O=C(Cc1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100011218584 [0,0,0,0,0,0|1,1,0]=2 3 B31R5.162854075 O=C(Cc1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100011218584 [0,0,0,0,0,0|1,1,0]=2 4 B31R5.162854075 O=C(Nc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000211940_100015183069 [0,0,0,0,0,0|1,1,0]=2 5 B31R5.162854075 O=C(Nc1ccc2cccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100102887122_100015183069 [0,0,0,0,0,0|2,1,0]=3 6 B31R5.162854075 O=C(Nc1ccc2ccncc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000069342_100015183069 [0,0,0,0,0,0|2,1,0]=3 7 B31R5.162854075 O=C(Nc1ccc2cnccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000039641_100015183069 [0,0,0,0,0,0|2,1,0]=3 8 B32R5.33854148 O=C(Nc1ccc2ccccc2c1Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000705303_100015183069 [0,1,0,0,0,0|1,1,0]=3 9 B32R5.33854148 O=C(Nc1ccc2ccccc2c1Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000075557_100015183069 [0,1,0,0,0,0|1,1,0]=3 10 B32R5.33854148 O=C(Nc1ccc2ccccc2c1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000007060_100015183069 [0,1,0,0,0,0|1,1,0]=3 11 B32R5.111716534 O=C(Nc1cc2ccccc2cc1Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100009991566_100015183069 [0,1,0,0,0,0|1,1,0]=3 12 B32R5.111716534 O=C(Nc1cc2ccccc2cc1I)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100009892810_100015183069 [0,1,0,0,0,0|1,1,0]=3 13 B32R5.111716534 O=C(Nc1cc2ccccc2cc1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_106744474703_100015183069 [0,1,0,0,0,0|1,1,0]=3 14 B32R5.255494033 O=C(Nc1cc(c2ccccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100010089974_100015183069 [0,1,0,0,0,0|1,1,0]=3 15 B32R5.255494033 O=C(Nc1cc(c2ncccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_200009830422_100015183069 [0,1,0,0,0,0|0,1,0]=2 16 B32R5.394045197 O=C(Nc1ccc2ccc(cc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100010090036_100015183069 [0,1,0,0,0,0|1,1,0]=3 17 B32R5.394045197 O=C(Nc1ccc2ccc(cc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100015378740_100015183069 [0,1,0,0,0,0|1,1,0]=3 18 B32R5.394241629 Cc1ccc2cc(ccc2n1)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011216442_100015183069 [0,1,0,0,0,0|0,1,0]=2 19 B32R5.394241629 O=C(Nc1ccc2cc(ccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000185457_100015183069 [0,1,0,0,0,0|1,1,0]=3 20 B32R5.394241629 O=C(Nc1ccc2cc(cnc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_200010264087_100015183069 [0,1,0,0,0,0|2,1,0]=4 21 B32R5.394241629 O=C(Nc1ccc2oc(=O)ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000008519_100015183069 [0,1,0,0,0,0|1,1,0]=3 22 B32R5.440745394 O=C(Nc1ccc2c(=O)[nH]ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100009854415_100015183069 [0,1,0,0,0,0|2,1,0]=4 23 B32R5.440745394 O=C(Nc1ccc2c(cccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000035793_100015183069 [0,1,0,0,0,0|1,1,0]=3 24 B32R5.617713723 O=C(Nc1ccc2cc[nH]c(=O)c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_200009826668_100015183069 [0,1,0,0,0,0|2,1,0]=4 25 B32R5.617713723 O=C(Nc1ccc2cccc(c2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100132313934_100015183069 [0,1,0,0,0,0|1,1,0]=3 26 B32R5.617713723 O=C(Nc1ccc2nc[nH]c(=O)c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000239969_100015183069 [0,1,0,0,0,0|1,1,0]=3 27 B32R5.617713723 O=C(Nc1ccc2occc(=O)c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000088200_100015183069 [0,1,0,0,0,0|1,1,0]=3 28 B30R5.335651176 O=C(c1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000210637 [0,0,0,0,1,0|1,1,0]=3 29 B30R5.335651176 O=C(c1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000210637 [0,0,0,0,1,0|1,1,0]=3 30 B30R5.335651176 O=C(c1ccc2cccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100011933907 [0,0,0,0,1,0|2,1,0]=4 31 B30R5.335651176 O=C(c1ccc2cccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100011933907 [0,0,0,0,1,0|2,1,0]=4 32 B30R5.335651176 O=C(c1ccc2ccncc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000070124 [0,0,0,0,1,0|2,1,0]=4 33 B30R5.335651176 O=C(c1ccc2ccncc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000070124 [0,0,0,0,1,0|2,1,0]=4 34 B30R5.335651176 O=C(c1ccc2cnccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100011935275 [0,0,0,0,1,0|2,1,0]=4 35 B30R5.335651176 O=C(c1ccc2cnccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100011935275 [0,0,0,0,1,0|2,1,0]=4 36 B30R5.335651176 O=C(c1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100011216044 [0,0,0,0,1,0|0,1,0]=2 37 B30R5.335651176 O=C(c1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100011216044 [0,0,0,0,1,0|0,1,0]=2 38 B30R5.335651176 O=C(c1ccc2nccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000184533 [0,0,0,0,1,0|1,1,0]=3 39 B30R5.335651176 O=C(c1ccc2nccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000184533 [0,0,0,0,1,0|1,1,0]=3 40 B30R5.335651293 O=C(Cc1ccc2cc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000094508 [0,0,0,0,1,0|2,1,0]=4 41 B30R5.335651293 O=C(Cc1ccc2nc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000055147 [0,0,0,0,1,0|2,1,0]=4 42 B30R5.335651293 O=C(Cc1ccc2nc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000055147 [0,0,0,0,1,0|2,1,0]=4 43 B30R5.335651293 O=C(Cc1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000096804 [0,0,0,0,1,0|2,1,0]=4 44 B30R5.335651293 O=C(Cc1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000096804 [0,0,0,0,1,0|2,1,0]=4 45 B30R5.335651293 O=C(Nc1ccc2[nH]ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011201678_100015183069 [0,0,0,0,1,0|0,1,1]=3 46 B30R5.335651293 O=C(Nc1ccc2[nH]cnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000185997_100015183069 [0,0,0,0,1,0|1,1,1]=4 47 B30R5.335651293 O=C(Nc1ccc2[nH]ncc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000187683_100015183069 [0,0,0,0,1,0|1,1,1]=4 48 B30R5.335651293 O=C(Nc1ccc2cc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000743810_100015183069 [0,0,0,0,1,0|1,1,0]=3 49 B30R5.335651293 O=C(Nc1ccc2ccoc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000102395_100015183069 [0,0,0,0,1,0|1,1,0]=3 50 B30R5.335651293 O=C(Nc1ccc2ncsc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011215093_100015183069 [0,0,0,0,1,0|1,1,0]=3 51 B30R5.335651293 O=C(Nc1ccc2nsnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000042151_100015183069 [0,0,0,0,1,0|2,1,0]=4 52 B30R5.335651293 O=C(Nc1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_106430523501_100015183069 [0,0,0,0,1,0|1,1,0]=3 53 B30R5.335651293 O=C(Nc1ccc2ocnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011219863_100015183069 [0,0,0,0,1,0|2,1,0]=4 54 B30R5.335651293 O=C(Nc1ccc2sccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000681076_100015183069 [0,0,0,0,1,0|1,1,0]=3 55 B30R5.335651293 O=C(Nc1ccc2scnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000047738_100015183069 [0,0,0,0,1,0|2,1,0]=4 56 B30R5.335651293 O=C(Nc1ccc2sncc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000077742_100015183069 [0,0,0,0,1,0|2,1,0]=4 57 B30R5.335651294 O=C(Cc1c[nH]c2c1cccn2)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000687015 [0,0,0,0,1,0|2,1,0]=4 58 B30R5.335651294 O=C(Cc1c[nH]c2c1cccn2)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000687015 [0,0,0,0,1,0|2,1,0]=4 59 B32R5.111717476 O=C(C=Cc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100011195074 [0,0,0,0,0,1|2,1,0]=4 60 B32R5.111717476 O=C(CCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000743016 [0,0,0,0,0,1|2,1,0]=4 61 B32R5.111717476 O=C(CCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000743016 [0,0,0,0,0,1|2,1,0]=4 62 B32R5.111717476 O=C(COc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000185456 [0,0,0,0,0,1|2,1,0]=4 63 B32R5.111717476 O=C(COc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000185456 [0,0,0,0,0,1|2,1,0]=4 64 B32R5.111717476 O=C(CSc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000181792 [0,0,0,0,0,1|2,1,0]=4 65 B32R5.111717476 O=C(CSc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000181792 [0,0,0,0,0,1|2,1,0]=4 66 B32R5.111717476 O=C(NCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100000739491_100015183069 [0,0,0,0,0,1|1,1,0]=3 67 B32R5.111717476 O=C(NCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100000739491_100015183069 [0,0,0,0,0,1|1,1,0]=3 68 B32R5.111717476 O=C(NCc1ccc2ccccc2n1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100015185970_100015183069 [0,0,0,0,0,1|2,1,0]=4 69 B32R5.111717476 O=C(NCc1ccc2ccccc2n1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100015185970_100015183069 [0,0,0,0,0,1|2,1,0]=4 70 B32R5.111717476 O=C(NCc1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100000238500_100015183069 [0,0,0,0,0,1|0,1,0]=2 71 B32R5.111717476 O=C(NCc1ccc2ncccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100000238500_100015183069 [0,0,0,0,0,1|0,1,0]=2 72 B32R5.111717476 O=C(NCc1ccc2nccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_106354213004_100015183069 [0,0,0,0,0,1|1,1,0]=3 73 B32R5.111717476 O=C(NCc1ccc2nccnc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_106354213004_100015183069 [0,0,0,0,0,1|1,1,0]=3 74 B32R5.111717476 O=C(NCc1cnc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100000742225_100015183069 [0,0,0,0,0,1|2,1,0]=4 75 B32R5.111717476 O=C(NCc1cnc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100000742225_100015183069 [0,0,0,0,0,1|2,1,0]=4 76 B32R5.111732873 O=C(CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)Nc4ccc5ccccc5c4 2230a_100015183069_200000182969 [0,0,0,0,0,1|1,1,0]=3 77 B32R5.111732873 O=C(CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)Nc4ccc5ccccc5c4 269982a_100015183069_200000182969 [0,0,0,0,0,1|1,1,0]=3 78 B31R5.162853876 O=C(c1cc2ccccc2cc1Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100010003416 [0,1,0,0,1,0|1,1,0]=4 79 B31R5.162853876 O=C(c1cc2ccccc2cc1Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100010003416 [0,1,0,0,1,0|1,1,0]=4 80 B31R5.162853876 O=C(c1cc2ccccc2cc1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000212107 [0,1,0,0,1,0|1,1,0]=4 81 B31R5.162853876 O=C(c1cc2ccccc2cc1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000212107 [0,1,0,0,1,0|1,1,0]=4 82 B31R5.162854167 O=C(c1ccc2ccccc2c1Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000239384 [0,1,0,0,1,0|1,1,0]=4 83 B31R5.162854167 O=C(c1ccc2ccccc2c1Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000239384 [0,1,0,0,1,0|1,1,0]=4 84 B31R5.162854167 O=C(c1ccc2ccccc2c1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000181341 [0,1,0,0,1,0|1,1,0]=4 85 B31R5.162854167 O=C(c1ccc2ccccc2c1O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000181341 [0,1,0,0,1,0|1,1,0]=4 86 B31R5.410848595 O=C(c1cc(c2ncccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200009880037 [0,1,0,0,1,0|0,1,0]=3 87 B31R5.410848595 O=C(c1cc(c2nccnc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100010367197 [0,1,0,0,1,0|1,1,0]=4 88 B31R5.410848595 O=C(c1cc(c2nccnc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100010367197 [0,1,0,0,1,0|1,1,0]=4 89 B31R5.645505930 O=C(c1ccc2c(cccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000691321 [0,1,0,0,1,0|1,1,0]=4 90 B31R5.645505930 O=C(c1ccc2c(cccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000691321 [0,1,0,0,1,0|1,1,0]=4 91 B31R5.645505930 O=C(c1ccc2c(cccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100010089951 [0,1,0,0,1,0|1,1,0]=4 92 B31R5.645505930 O=C(c1ccc2c(cccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100010089951 [0,1,0,0,1,0|1,1,0]=4 93 B31R5.958441380 O=C(c1ccc2ccc(cc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200010152650 [0,1,0,0,1,0|1,1,0]=4 94 B31R5.958441380 O=C(c1ccc2ccc(cc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200010152650 [0,1,0,0,1,0|1,1,0]=4 95 B31R5.958441380 O=C(c1ccc2ccc(cc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100009860967 [0,1,0,0,1,0|1,1,0]=4 96 B31R5.958441380 O=C(c1ccc2ncc(cc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100010130286 [0,1,0,0,1,0|0,1,0]=3 97 B31R5.958441380 O=C(c1ccc2ncc(cc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100010130286 [0,1,0,0,1,0|0,1,0]=3 98 B31R5.958550468 Cc1ccc2cc(ccc2n1)C(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000691375 [0,1,0,0,1,0|0,1,0]=3 99 B31R5.958550468 Cc1ccc2cc(ccc2n1)C(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000691375 [0,1,0,0,1,0|0,1,0]=3 100 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000759775 [0,1,0,0,1,0|1,1,0]=4 101 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000759775 [0,1,0,0,1,0|1,1,0]=4 102 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200010245464 [0,1,0,0,1,0|1,1,0]=4 103 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200010245464 [0,1,0,0,1,0|1,1,0]=4 104 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)F)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200000042716 [0,1,0,0,1,0|1,1,0]=4 105 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)F)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200000042716 [0,1,0,0,1,0|1,1,0]=4 106 B31R5.958550468 O=C(c1ccc2cc(ccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000234869 [0,1,0,0,1,0|1,1,0]=4 107 B31R5.958550468 O=C(c1ccc2nc(ccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000740145 [0,1,0,0,1,0|0,1,0]=3 108 B31R5.958550468 O=C(c1ccc2nc(ccc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000740145 [0,1,0,0,1,0|0,1,0]=3 109 B31R5.958550468 O=C(c1ccc2nc(ccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100015838258 [0,1,0,0,1,0|0,1,0]=3 110 B31R5.958550468 O=C(c1ccc2nc(ccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100015838258 [0,1,0,0,1,0|0,1,0]=3 111 B31R5.958550468 O=C(c1ccc2oc(=O)ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200000082590 [0,1,0,0,1,0|1,1,0]=4 112 B31R5.958550468 O=C(c1ccc2oc(=O)ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200000082590 [0,1,0,0,1,0|1,1,0]=4 113 B31R5.1053929266 O=C(c1ccc2[nH]ccc(=O)c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200009839989 [0,1,0,0,1,0|0,1,1]=4 114 B31R5.1053929266 O=C(c1ccc2[nH]ccc(=O)c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200009839989 [0,1,0,0,1,0|0,1,1]=4 115 B31R5.1053929266 O=C(c1ccc2nccc(c2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_200010240029 [0,1,0,0,1,0|0,1,0]=3 116 B31R5.1053929266 O=C(c1ccc2nccc(c2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_200010240029 [0,1,0,0,1,0|0,1,0]=3 117 B31R5.410848717 Cc1cc2cc[nH]c2cc1NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000125349_100015183069 [0,1,0,0,1,0|1,1,0]=4 118 B31R5.410849077 Cn1ccc2c1ccc(c2)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011270241_100015183069 [0,1,0,0,1,0|0,1,1]=4 119 B31R5.410849078 Cc1cc2cc(ccc2[nH]1)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000738028_100015183069 [0,1,0,0,1,0|0,1,1]=4 120 B31R5.410849078 Cc1nc2ccc(cc2o1)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000736495_100015183069 [0,1,0,0,1,0|1,1,0]=4 121 B31R5.410849078 Cc1nc2ccc(cc2s1)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000183495_100015183069 [0,1,0,0,1,0|1,1,0]=4 122 B31R5.410849078 Cn1cc2cc(ccc2n1)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000067545_100015183069 [0,1,0,0,1,0|1,1,0]=4 123 B31R5.410849078 O=C(Nc1ccc2nc(oc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000238411_100015183069 [0,1,0,0,1,0|1,1,0]=4 124 B31R5.410849078 O=C(Nc1ccc2nc(sc2c1)Cl)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000012041_100015183069 [0,1,0,0,1,0|1,1,0]=4 125 B31R5.410849078 O=C(Nc1ccc2nc(sc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011829591_100015183069 [0,1,0,0,1,0|1,1,0]=4 126 B31R5.410849085 Cn1ccc2c1cc(cc2)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000712629_100015183069 [0,1,0,0,1,0|1,1,0]=4 127 B31R5.410849085 Cn1cnc2c1cc(cc2)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100015183096_100015183069 [0,1,0,0,1,0|1,1,0]=4 128 B31R5.410849085 O=C(Nc1ccc2scc(c2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100011178648_100015183069 [0,1,0,0,1,0|1,1,0]=4 129 B31R5.410849126 O=C(Nc1cc(c2cc[nH]c2c1)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100010006569_100015183069 [0,1,0,0,1,0|1,1,0]=4 130 B31R5.410849126 O=C(Nc1cc(c2cc[nH]c2c1)F)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000085187_100015183069 [0,1,0,0,1,0|1,1,0]=4 131 B33R5.293047432 CC(NC(=O)N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)c4ccc5ccccc5c4 2708a_100000737073_100015183069 [0,1,0,0,0,1|1,1,0]=4 132 B33R5.293047432 CC(NC(=O)N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)c4ccc5ccccc5c4 273464a_100000737073_100015183069 [0,1,0,0,0,1|1,1,0]=4 133 B33R5.1608599229 O=C(NCc1ccc2cc(ccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_200000083168_100015183069 [0,1,0,0,0,1|1,1,0]=4 134 B33R5.1608599229 O=C(NCc1ccc2cc(ccc2c1)O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_200000083168_100015183069 [0,1,0,0,0,1|1,1,0]=4 135 B33R5.1526791237 COc1c(ccc2c1cccn2)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100009831023_100015183069 [0,2,0,0,0,0|0,1,0]=3 136 B33R5.1122583614 CC(C)(C(=O)N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)c4ccc5ncccc5c4 240690a_100015183069_200012348744 [0,2,0,0,0,0|1,1,0]=4 137 B33R5.1122583614 CC(C)(C(=O)N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)c4ccc5ncccc5c4 527a_100015183069_200012348744 [0,2,0,0,0,0|1,1,0]=4 138 B33R5.1122583614 O=C(N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)C(F)(F)c4ccc5ncccc5c4 240690a_100015183069_100012347745 [0,2,0,0,0,0|1,1,0]=4 139 B33R5.1122583614 O=C(N1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)C(F)(F)c4ccc5ncccc5c4 527a_100015183069_100012347745 [0,2,0,0,0,0|1,1,0]=4 140 B33R5.2566890662 O=C(Nc1cc(c2ncc(cc2c1)Br)Br)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100010069473_100015183069 [0,2,0,0,0,0|0,1,0]=3 141 B33R5.2566890662 O=C(Nc1cc(c2ncc(cc2c1)Br)F)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100010780968_100015183069 [0,2,0,0,0,0|0,1,0]=3 142 B33R5.1122582618 Cc1nc2ccc(cc2nc1C)NC(=O)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000066775_100015183069 [0,2,0,0,0,0|1,1,0]=4 143 B31R5.162853917 O=C(Nc1cccc2c1cccc2)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000185869_100015183069 [0,0,1,1,0,0|1,1,0]=4 144 B31R5.162853917 O=C(Nc1cccc2c1ccnc2)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2430a_100000210097_100015183069 [0,0,1,1,0,0|0,1,0]=3 145 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ccccc5c4 2230a_100015183069_100011216711 [1,0,0,0,1,0|1,0,1]=4 146 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ccccc5c4 269982a_100015183069_100011216711 [1,0,0,0,1,0|1,0,1]=4 147 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ccccc5c4 270004a_100015183069_100000211584 [1,0,0,0,1,0|1,0,1]=4 148 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ncccc5c4 2230a_100015183069_100000703657 [1,0,0,0,1,0|0,0,1]=3 149 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ncccc5c4 269982a_100015183069_100000703657 [1,0,0,0,1,0|0,0,1]=3 150 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5ncccc5c4 270004a_100015183069_100000211315 [1,0,0,0,1,0|0,0,1]=3 151 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5nccnc5c4 2230a_100015183069_200011762199 [1,0,0,0,1,0|1,0,1]=4 152 B29R5.115425106 O=c1cccc2n1C[C@H]3C[C@@H]2CN(C3)Cc4ccc5nccnc5c4 270004a_100015183069_100000239887 [1,0,0,0,1,0|1,0,1]=4 153 B29R5.260181104 O=C(c1ccc2[nH]ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000752189 [0,0,0,0,2,0|0,1,1]=4 154 B29R5.260181104 O=C(c1ccc2cc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000739399 [0,0,0,0,2,0|1,1,0]=4 155 B29R5.260181104 O=C(c1ccc2ccoc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000077109 [0,0,0,0,2,0|1,1,0]=4 156 B29R5.260181104 O=C(c1ccc2ccoc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000077109 [0,0,0,0,2,0|1,1,0]=4 157 B29R5.260181104 O=C(c1ccc2ccsc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000045399 [0,0,0,0,2,0|1,1,0]=4 158 B29R5.260181104 O=C(c1ccc2ccsc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000045399 [0,0,0,0,2,0|1,1,0]=4 159 B29R5.260181104 O=C(c1ccc2ncsc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000183663 [0,0,0,0,2,0|1,1,0]=4 160 B29R5.260181104 O=C(c1ccc2ncsc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000183663 [0,0,0,0,2,0|1,1,0]=4 161 B29R5.260181104 O=C(c1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000039204 [0,0,0,0,2,0|1,1,0]=4 162 B29R5.260181104 O=C(c1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000039204 [0,0,0,0,2,0|1,1,0]=4 163 B29R5.260181104 O=C(c1ccc2sccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 240690a_100015183069_100000766740 [0,0,0,0,2,0|1,1,0]=4 164 B29R5.260181104 O=C(c1ccc2sccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 527a_100015183069_100000766740 [0,0,0,0,2,0|1,1,0]=4 165 B31R5.162854835 O=C(NCc1ccc2[nH]ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100011837653_100015183069 [0,0,0,0,1,1|0,1,1]=4 166 B31R5.162854835 O=C(NCc1ccc2[nH]ccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100011837653_100015183069 [0,0,0,0,1,1|0,1,1]=4 167 B31R5.162854835 O=C(NCc1ccc2cc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100011912548_100015183069 [0,0,0,0,1,1|1,1,0]=4 168 B31R5.162854835 O=C(NCc1ccc2cc[nH]c2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100011912548_100015183069 [0,0,0,0,1,1|1,1,0]=4 169 B31R5.162854835 O=C(NCc1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100020591328_100015183069 [0,0,0,0,1,1|1,1,0]=4 170 B31R5.162854835 O=C(NCc1ccc2occc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100020591328_100015183069 [0,0,0,0,1,1|1,1,0]=4 171 B31R5.162854835 O=C(NCc1ccc2sccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100000732457_100015183069 [0,0,0,0,1,1|1,1,0]=4 172 B31R5.162854835 O=C(NCc1ccc2sccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100000732457_100015183069 [0,0,0,0,1,1|1,1,0]=4 173 B31R5.162881826 O=C(CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)Nc4ccc5ncsc5c4 2230a_100015183069_100012355151 [0,0,0,0,1,1|1,1,0]=4 174 B31R5.162881826 O=C(CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2)Nc4ccc5ncsc5c4 269982a_100015183069_100012355151 [0,0,0,0,1,1|1,1,0]=4 175 B33R5.293047794 O=C(NCCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 2708a_100000746582_100015183069 [0,0,0,0,0,2|1,1,0]=4 176 B33R5.293047794 O=C(NCCc1ccc2ccccc2c1)N3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 273464a_100000746582_100015183069 [0,0,0,0,0,2|1,1,0]=4