0 B13R1.3787 C=C(C)CNc1c(cccc1Br)C 34a_100011834072_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.3787 C=C(C)CNc1c(cccc1C)C 34a_100000185769_100000748629 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.3787 C=C(C)CNc1c(cccc1Cl)C 34a_100000756524_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.3787 C=C(C)CNc1c(cccc1F)C 34a_100000766463_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.3787 C=C(C)CNc1c(cccc1O)C 34a_100000743429_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 34a_100000736428_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 7a_100000736428_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.3787 C=C(C)COc1c(cccc1Br)C 34a_100009817157_100000748629 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.3787 C=C(C)COc1c(cccc1Br)C 7a_100009817157_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 34a_100010214474_100000748629 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 7a_100010214474_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.3787 C=C(C)COc1c(cccc1Br)F 34a_100009813666_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.3787 C=C(C)COc1c(cccc1Br)F 7a_100009813666_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.3787 C=C(C)COc1c(cccc1Br)N 34a_100011934915_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.3787 C=C(C)COc1c(cccc1C)C 34a_100000210341_100000748629 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.3787 C=C(C)COc1c(cccc1C)C 7a_100000210341_100000748629 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 34a_100000033731_100000748629 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 7a_100000033731_100000748629 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000748629 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000748629 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 34a_100000694953_100000748629 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 7a_100000694953_100000748629 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.3787 C=C(C)COc1c(cccc1Cl)N 34a_100000754742_100000748629 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.3787 C=C(C)COc1c(cccc1F)C 34a_100011659162_100000748629 [0,0,0,0,0,0|3,0,0]=3 24 B13R1.3787 C=C(C)COc1c(cccc1F)C 7a_100011659162_100000748629 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.3787 C=C(C)COc1c(cccc1F)F 34a_100000230165_100000748629 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.3787 C=C(C)COc1c(cccc1F)F 7a_100000230165_100000748629 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.3787 C=C(C)COc1c(cccc1F)N 34a_100011934987_100000748629 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.3787 C=C(C)COc1c(cccc1I)Br 34a_100010084509_100000748629 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.3787 C=C(C)COc1c(cccc1I)Br 7a_100010084509_100000748629 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 34a_100010202889_100000748629 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 7a_100010202889_100000748629 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.3787 C=C(C)COc1c(cccc1I)F 34a_100010186298_100000748629 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.3787 C=C(C)COc1c(cccc1I)F 7a_100010186298_100000748629 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.3787 C=C(C)COc1c(cccc1I)N 34a_100010084371_100000748629 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.3787 C=C(C)COc1c(cccc1N)C 34a_100000756359_100000748629 [0,0,0,0,0,0|3,0,0]=3 36 B13R1.3787 C=C(C)COc1c(cccc1N)C 7a_100000756359_100000748629 [0,0,0,0,0,0|3,0,0]=3 37 B13R1.3787 C=C(C)COc1c(cccc1N)N 34a_200016994477_100000748629 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.3787 C=C(C)COc1c(ccnc1C)C 34a_100011934651_100000748629 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.3787 C=C(C)COc1c(ccnc1C)C 7a_100011934651_100000748629 [0,0,0,0,0,0|3,0,0]=3 40 B13R1.3787 C=C(C)COc1c(ccnc1Cl)C 34a_100000696282_100000748629 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.3787 C=C(C)COc1c(ccnc1Cl)C 7a_100000696282_100000748629 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.3787 C=C(C)COc1c(ncnc1C)C 34a_100009878406_100000748629 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.3787 C=C(C)COc1c(ncnc1C)C 7a_100009878406_100000748629 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.3787 C=C(C)COc1c(occc1=O)C 34a_100000031901_100000748629 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.3787 C=C(C)CSc1c(cccc1Br)C 62a_100000748629_100010141302 [0,0,0,0,0,0|3,1,0]=4 46 B13R1.3787 C=C(C)CSc1c(cccc1Br)C 62a_100010141302_100000211660 [0,0,0,0,0,0|3,1,0]=4 47 B13R1.3787 C=C(C)CSc1c(cccc1C)C 62a_100000033847_100000211660 [0,0,0,0,0,0|2,1,0]=3 48 B13R1.3787 C=C(C)CSc1c(cccc1C)C 62a_100000748629_100000033847 [0,0,0,0,0,0|2,1,0]=3 49 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000043165_100000211660 [0,0,0,0,0,0|3,1,0]=4 50 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000748629_100000043165 [0,0,0,0,0,0|3,1,0]=4 51 B13R1.3787 C=C(C)CSc1c(cccc1F)C 62a_100000748629_100011218421 [0,0,0,0,0,0|3,1,0]=4 52 B13R1.3787 C=C(C)CSc1c(cccc1F)C 62a_100011218421_100000211660 [0,0,0,0,0,0|3,1,0]=4 53 B13R1.3787 C=C(C)CSc1c(cccc1N)C 62a_100000684715_100000211660 [0,0,0,0,0,0|3,1,0]=4 54 B13R1.3787 C=C(C)CSc1c(cccc1N)C 62a_100000748629_100000684715 [0,0,0,0,0,0|3,1,0]=4 55 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000686692_100000211660 [0,0,0,0,0,0|3,1,0]=4 56 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000748629_100000686692 [0,0,0,0,0,0|3,1,0]=4 57 B13R1.3787 C=C(C)CSc1c(ccnc1C)C 62a_100000748629_100012000501 [0,0,0,0,0,0|3,1,0]=4 58 B13R1.3787 C=C(C)CSc1c(ccnc1C)C 62a_100012000501_100000211660 [0,0,0,0,0,0|3,1,0]=4 59 B13R1.3787 C=C(C)CSc1c(cncc1C)C 62a_100000748629_100009817138 [0,0,0,0,0,0|3,1,0]=4 60 B13R1.3787 C=C(C)CSc1c(cncc1C)C 62a_100009817138_100000211660 [0,0,0,0,0,0|3,1,0]=4 61 B13R1.3787 C=C(F)CNc1c(cccc1Br)C 34a_100011834072_100009893438 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.3787 C=C(F)CNc1c(cccc1C)C 34a_100000185769_100009893438 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.3787 C=C(F)CNc1c(cccc1Cl)C 34a_100000756524_100009893438 [0,0,0,0,0,0|4,0,0]=4 64 B13R1.3787 C=C(F)CNc1c(cccc1F)C 34a_100000766463_100009893438 [0,0,0,0,0,0|4,0,0]=4 65 B13R1.3787 C=C(F)CNc1c(cccc1O)C 34a_100000743429_100009893438 [0,0,0,0,0,0|4,0,0]=4 66 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 34a_100000736428_100009893438 [0,0,0,0,0,0|4,0,0]=4 67 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 7a_100000736428_100000042424 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.3787 C=C(F)COc1c(cccc1Br)C 34a_100009817157_100009893438 [0,0,0,0,0,0|3,0,0]=3 69 B13R1.3787 C=C(F)COc1c(cccc1Br)C 7a_100009817157_100000042424 [0,0,0,0,0,0|3,0,0]=3 70 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 34a_100010214474_100009893438 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 7a_100010214474_100000042424 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.3787 C=C(F)COc1c(cccc1Br)F 34a_100009813666_100009893438 [0,0,0,0,0,0|4,0,0]=4 73 B13R1.3787 C=C(F)COc1c(cccc1Br)F 7a_100009813666_100000042424 [0,0,0,0,0,0|4,0,0]=4 74 B13R1.3787 C=C(F)COc1c(cccc1Br)N 34a_100011934915_100009893438 [0,0,0,0,0,0|4,0,0]=4 75 B13R1.3787 C=C(F)COc1c(cccc1C)C 34a_100000210341_100009893438 [0,0,0,0,0,0|2,0,0]=2 76 B13R1.3787 C=C(F)COc1c(cccc1C)C 7a_100000210341_100000042424 [0,0,0,0,0,0|2,0,0]=2 77 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 34a_100000033731_100009893438 [0,0,0,0,0,0|3,0,0]=3 78 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 7a_100000033731_100000042424 [0,0,0,0,0,0|3,0,0]=3 79 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 34a_100000211709_100009893438 [0,0,0,0,0,0|4,0,0]=4 80 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 7a_100000211709_100000042424 [0,0,0,0,0,0|4,0,0]=4 81 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 34a_100000694953_100009893438 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 7a_100000694953_100000042424 [0,0,0,0,0,0|4,0,0]=4 83 B13R1.3787 C=C(F)COc1c(cccc1Cl)N 34a_100000754742_100009893438 [0,0,0,0,0,0|4,0,0]=4 84 B13R1.3787 C=C(F)COc1c(cccc1F)C 34a_100011659162_100009893438 [0,0,0,0,0,0|3,0,0]=3 85 B13R1.3787 C=C(F)COc1c(cccc1F)C 7a_100011659162_100000042424 [0,0,0,0,0,0|3,0,0]=3 86 B13R1.3787 C=C(F)COc1c(cccc1F)F 34a_100000230165_100009893438 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.3787 C=C(F)COc1c(cccc1F)F 7a_100000230165_100000042424 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.3787 C=C(F)COc1c(cccc1F)N 34a_100011934987_100009893438 [0,0,0,0,0,0|4,0,0]=4 89 B13R1.3787 C=C(F)COc1c(cccc1I)Br 34a_100010084509_100009893438 [0,0,0,0,0,0|4,0,0]=4 90 B13R1.3787 C=C(F)COc1c(cccc1I)Br 7a_100010084509_100000042424 [0,0,0,0,0,0|4,0,0]=4 91 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 34a_100010202889_100009893438 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 7a_100010202889_100000042424 [0,0,0,0,0,0|4,0,0]=4 93 B13R1.3787 C=C(F)COc1c(cccc1I)F 34a_100010186298_100009893438 [0,0,0,0,0,0|4,0,0]=4 94 B13R1.3787 C=C(F)COc1c(cccc1I)F 7a_100010186298_100000042424 [0,0,0,0,0,0|4,0,0]=4 95 B13R1.3787 C=C(F)COc1c(cccc1I)N 34a_100010084371_100009893438 [0,0,0,0,0,0|4,0,0]=4 96 B13R1.3787 C=C(F)COc1c(cccc1N)C 34a_100000756359_100009893438 [0,0,0,0,0,0|3,0,0]=3 97 B13R1.3787 C=C(F)COc1c(cccc1N)C 7a_100000756359_100000042424 [0,0,0,0,0,0|3,0,0]=3 98 B13R1.3787 C=C(F)COc1c(cccc1N)N 34a_200016994477_100009893438 [0,0,0,0,0,0|4,0,0]=4 99 B13R1.3787 C=C(F)COc1c(ccnc1C)C 34a_100011934651_100009893438 [0,0,0,0,0,0|3,0,0]=3 100 B13R1.3787 C=C(F)COc1c(ccnc1C)C 7a_100011934651_100000042424 [0,0,0,0,0,0|3,0,0]=3 101 B13R1.3787 C=C(F)COc1c(ccnc1Cl)C 34a_100000696282_100009893438 [0,0,0,0,0,0|4,0,0]=4 102 B13R1.3787 C=C(F)COc1c(ccnc1Cl)C 7a_100000696282_100000042424 [0,0,0,0,0,0|4,0,0]=4 103 B13R1.3787 C=C(F)COc1c(ncnc1C)C 34a_100009878406_100009893438 [0,0,0,0,0,0|4,0,0]=4 104 B13R1.3787 C=C(F)COc1c(ncnc1C)C 7a_100009878406_100000042424 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.3787 C=C(F)COc1c(occc1=O)C 34a_100000031901_100009893438 [0,0,0,0,0,0|4,0,0]=4 106 B13R1.3787 C=C(F)CSc1c(cccc1Br)C 62a_100000042424_100010141302 [0,0,0,0,0,0|3,1,0]=4 107 B13R1.3787 C=C(F)CSc1c(cccc1Br)C 62a_100010141302_100000042424 [0,0,0,0,0,0|3,1,0]=4 108 B13R1.3787 C=C(F)CSc1c(cccc1C)C 62a_100000033847_100000042424 [0,0,0,0,0,0|2,1,0]=3 109 B13R1.3787 C=C(F)CSc1c(cccc1C)C 62a_100000042424_100000033847 [0,0,0,0,0,0|2,1,0]=3 110 B13R1.3787 C=C(F)CSc1c(cccc1Cl)C 62a_100000042424_100000043165 [0,0,0,0,0,0|3,1,0]=4 111 B13R1.3787 C=C(F)CSc1c(cccc1Cl)C 62a_100000043165_100000042424 [0,0,0,0,0,0|3,1,0]=4 112 B13R1.3787 C=C(F)CSc1c(cccc1F)C 62a_100000042424_100011218421 [0,0,0,0,0,0|3,1,0]=4 113 B13R1.3787 C=C(F)CSc1c(cccc1F)C 62a_100011218421_100000042424 [0,0,0,0,0,0|3,1,0]=4 114 B13R1.3787 C=C(F)CSc1c(cccc1N)C 62a_100000042424_100000684715 [0,0,0,0,0,0|3,1,0]=4 115 B13R1.3787 C=C(F)CSc1c(cccc1N)C 62a_100000684715_100000042424 [0,0,0,0,0,0|3,1,0]=4 116 B13R1.3787 C=C(F)CSc1c(cccc1O)C 62a_100000042424_100000686692 [0,0,0,0,0,0|3,1,0]=4 117 B13R1.3787 C=C(F)CSc1c(cccc1O)C 62a_100000686692_100000042424 [0,0,0,0,0,0|3,1,0]=4 118 B13R1.3787 C=C(F)CSc1c(ccnc1C)C 62a_100000042424_100012000501 [0,0,0,0,0,0|3,1,0]=4 119 B13R1.3787 C=C(F)CSc1c(ccnc1C)C 62a_100012000501_100000042424 [0,0,0,0,0,0|3,1,0]=4 120 B13R1.3787 C=C(F)CSc1c(cncc1C)C 62a_100000042424_100009817138 [0,0,0,0,0,0|3,1,0]=4 121 B13R1.3787 C=C(F)CSc1c(cncc1C)C 62a_100009817138_100000042424 [0,0,0,0,0,0|3,1,0]=4 122 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100000070787_100012161200 [0,0,0,0,0,0|4,0,0]=4 124 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B13R1.3787 CC(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200000210301 [0,0,0,0,0,0|4,0,0]=4 126 B13R1.3787 CC(=O)CCc1c(cccc1F)F 1458a_100000738981_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B13R1.3787 CC(=O)CCn1c(cccc1=O)C 1458a_100011363405_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B13R1.3787 CC(=O)COc1c(cccc1C)C 1458a_100000184085_200000210301 [0,0,0,0,0,0|1,0,0]=1 129 B13R1.3787 CC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200000210301 [0,0,0,0,0,0|3,0,0]=3 130 B13R1.3787 CC(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200000210301 [0,0,0,0,0,0|3,1,0]=4 131 B13R1.3787 CC(=O)NCc1c(cccc1C)C 11a_100000689800_100015343762 [0,0,0,0,0,0|3,0,0]=3 132 B13R1.3787 CC(=O)NCc1c(cccc1C)C 1626a_100000689800_100015343762 [0,0,0,0,0,0|3,0,0]=3 133 B13R1.3787 CC(=O)NCc1c(cccc1C)C 240690a_100000689800_100015343762 [0,0,0,0,0,0|3,0,0]=3 134 B13R1.3787 CC(=O)NCc1c(cccc1C)C 527a_100000689800_100103153847 [0,0,0,0,0,0|3,0,0]=3 135 B13R1.3787 CC(=O)NCc1c(cccc1F)C 11a_100000762012_100015343762 [0,0,0,0,0,0|4,0,0]=4 136 B13R1.3787 CC(=O)NCc1c(cccc1F)C 1626a_100000762012_100015343762 [0,0,0,0,0,0|4,0,0]=4 137 B13R1.3787 CC(=O)NCc1c(cccc1F)C 240690a_100000762012_100015343762 [0,0,0,0,0,0|4,0,0]=4 138 B13R1.3787 CC(=O)NCc1c(cccc1F)C 527a_100000762012_100103153847 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.3787 CC(=O)NNc1c(cccc1C)C 22a_100016987787_100000070787 [0,0,0,0,0,0|3,0,0]=3 140 B13R1.3787 CC(O)COc1c(cccc1Br)Br 34a_100000736428_100011218427 [0,0,0,0,0,0|3,0,1]=4 141 B13R1.3787 CC(O)COc1c(cccc1Br)Br 7a_100000736428_100011218427 [0,0,0,0,0,0|3,0,1]=4 142 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011218427 [0,0,0,0,0,0|3,0,1]=4 143 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011218427 [0,0,0,0,0,0|3,0,1]=4 144 B13R1.3787 CC(O)COc1c(cccc1Br)F 34a_100009813666_100011218427 [0,0,0,0,0,0|3,0,1]=4 145 B13R1.3787 CC(O)COc1c(cccc1Br)F 7a_100009813666_100011218427 [0,0,0,0,0,0|3,0,1]=4 146 B13R1.3787 CC(O)COc1c(cccc1Br)N 34a_100011934915_100011218427 [0,0,0,0,0,0|3,0,1]=4 147 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011218427 [0,0,0,0,0,0|3,0,1]=4 148 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011218427 [0,0,0,0,0,0|3,0,1]=4 149 B13R1.3787 CC(O)COc1c(cccc1Cl)F 34a_100000694953_100011218427 [0,0,0,0,0,0|3,0,1]=4 150 B13R1.3787 CC(O)COc1c(cccc1Cl)F 7a_100000694953_100011218427 [0,0,0,0,0,0|3,0,1]=4 151 B13R1.3787 CC(O)COc1c(cccc1Cl)N 34a_100000754742_100011218427 [0,0,0,0,0,0|3,0,1]=4 152 B13R1.3787 CC(O)COc1c(cccc1F)F 34a_100000230165_100011218427 [0,0,0,0,0,0|3,0,1]=4 153 B13R1.3787 CC(O)COc1c(cccc1F)F 7a_100000230165_100011218427 [0,0,0,0,0,0|3,0,1]=4 154 B13R1.3787 CC(O)COc1c(cccc1F)N 34a_100011934987_100011218427 [0,0,0,0,0,0|3,0,1]=4 155 B13R1.3787 CC(O)COc1c(cccc1I)Br 34a_100010084509_100011218427 [0,0,0,0,0,0|3,0,1]=4 156 B13R1.3787 CC(O)COc1c(cccc1I)Br 7a_100010084509_100011218427 [0,0,0,0,0,0|3,0,1]=4 157 B13R1.3787 CC(O)COc1c(cccc1I)Cl 34a_100010202889_100011218427 [0,0,0,0,0,0|3,0,1]=4 158 B13R1.3787 CC(O)COc1c(cccc1I)Cl 7a_100010202889_100011218427 [0,0,0,0,0,0|3,0,1]=4 159 B13R1.3787 CC(O)COc1c(cccc1I)F 34a_100010186298_100011218427 [0,0,0,0,0,0|3,0,1]=4 160 B13R1.3787 CC(O)COc1c(cccc1I)F 7a_100010186298_100011218427 [0,0,0,0,0,0|3,0,1]=4 161 B13R1.3787 CC(O)COc1c(cccc1I)N 34a_100010084371_100011218427 [0,0,0,0,0,0|3,0,1]=4 162 B13R1.3787 CC(O)COc1c(cccc1N)N 34a_200016994477_100011218427 [0,0,0,0,0,0|3,0,1]=4 163 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 34a_100000736428_100009817552 [0,0,0,0,0,0|3,0,1]=4 164 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 7a_100000736428_100009817552 [0,0,0,0,0,0|3,0,1]=4 165 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 34a_100010214474_100009817552 [0,0,0,0,0,0|3,0,1]=4 166 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 7a_100010214474_100009817552 [0,0,0,0,0,0|3,0,1]=4 167 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 34a_100009813666_100009817552 [0,0,0,0,0,0|3,0,1]=4 168 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 7a_100009813666_100009817552 [0,0,0,0,0,0|3,0,1]=4 169 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)N 34a_100011934915_100009817552 [0,0,0,0,0,0|3,0,1]=4 170 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 34a_100000211709_100009817552 [0,0,0,0,0,0|3,0,1]=4 171 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 7a_100000211709_100009817552 [0,0,0,0,0,0|3,0,1]=4 172 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 34a_100000694953_100009817552 [0,0,0,0,0,0|3,0,1]=4 173 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 7a_100000694953_100009817552 [0,0,0,0,0,0|3,0,1]=4 174 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)N 34a_100000754742_100009817552 [0,0,0,0,0,0|3,0,1]=4 175 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 34a_100000230165_100009817552 [0,0,0,0,0,0|3,0,1]=4 176 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 7a_100000230165_100009817552 [0,0,0,0,0,0|3,0,1]=4 177 B13R1.3787 C[C@@H](O)COc1c(cccc1F)N 34a_100011934987_100009817552 [0,0,0,0,0,0|3,0,1]=4 178 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 34a_100010084509_100009817552 [0,0,0,0,0,0|3,0,1]=4 179 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 7a_100010084509_100009817552 [0,0,0,0,0,0|3,0,1]=4 180 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 34a_100010202889_100009817552 [0,0,0,0,0,0|3,0,1]=4 181 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 7a_100010202889_100009817552 [0,0,0,0,0,0|3,0,1]=4 182 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 34a_100010186298_100009817552 [0,0,0,0,0,0|3,0,1]=4 183 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 7a_100010186298_100009817552 [0,0,0,0,0,0|3,0,1]=4 184 B13R1.3787 C[C@@H](O)COc1c(cccc1I)N 34a_100010084371_100009817552 [0,0,0,0,0,0|3,0,1]=4 185 B13R1.3787 C[C@@H](O)COc1c(cccc1N)N 34a_200016994477_100009817552 [0,0,0,0,0,0|3,0,1]=4 186 B13R1.3787 Cc1ccc[n+](c1SCC(=O)N)[O-] 62a_100000747473_100116209805 [0,0,0,0,0,0|3,1,0]=4 187 B13R1.3787 Cc1ccc[n+](c1SCC(=O)[O-])[O-] 62a_100020667443_100116209805 [0,0,0,0,0,0|2,1,1]=4 188 B13R1.3787 Cc1cccc(=O)n1CCC(=O)[13CH3] 1458a_100011363405_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B13R1.3787 Cc1cccc(c1C=CC(C)O)C 271570a_200011019289_100000033847 [0,0,0,0,0,0|2,0,2]=4 190 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [0,0,0,0,0,0|2,0,0]=2 191 B13R1.3787 Cc1cccc(c1NCC(=O)N)Br 34a_100011834072_100000187820 [0,0,0,0,0,0|3,0,0]=3 192 B13R1.3787 Cc1cccc(c1NCC(=O)N)C 34a_100000185769_100000187820 [0,0,0,0,0,0|2,0,0]=2 193 B13R1.3787 Cc1cccc(c1NCC(=O)N)Cl 34a_100000756524_100000187820 [0,0,0,0,0,0|3,0,0]=3 194 B13R1.3787 Cc1cccc(c1NCC(=O)N)F 34a_100000766463_100000187820 [0,0,0,0,0,0|3,0,0]=3 195 B13R1.3787 Cc1cccc(c1NCC(=O)N)O 34a_100000743429_100000187820 [0,0,0,0,0,0|3,0,0]=3 196 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Br 34a_100011834072_100020667443 [0,0,0,0,0,0|2,0,1]=3 197 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])C 34a_100000185769_100020667443 [0,0,0,0,0,0|1,0,1]=2 198 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Cl 34a_100000756524_100020667443 [0,0,0,0,0,0|2,0,1]=3 199 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])F 34a_100000766463_100020667443 [0,0,0,0,0,0|2,0,1]=3 200 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])O 34a_100000743429_100020667443 [0,0,0,0,0,0|2,0,1]=3 201 B13R1.3787 Cc1cccc(c1NCC(C)C)C 34a_100000185769_100000210624 [0,0,0,0,0,0|3,0,1]=4 202 B13R1.3787 Cc1cccc(c1NCC(C)O)Br 34a_100011834072_100011218427 [0,0,0,0,0,0|3,0,1]=4 203 B13R1.3787 Cc1cccc(c1NCC(C)O)C 34a_100000185769_100011218427 [0,0,0,0,0,0|2,0,1]=3 204 B13R1.3787 Cc1cccc(c1NCC(C)O)Cl 34a_100000756524_100011218427 [0,0,0,0,0,0|3,0,1]=4 205 B13R1.3787 Cc1cccc(c1NCC(C)O)F 34a_100000766463_100011218427 [0,0,0,0,0,0|3,0,1]=4 206 B13R1.3787 Cc1cccc(c1NCC(C)O)O 34a_100000743429_100011218427 [0,0,0,0,0,0|3,0,1]=4 207 B13R1.3787 Cc1cccc(c1NCC(F)F)C 34a_100000185769_100011934356 [0,0,0,0,0,0|3,0,1]=4 208 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)Br 34a_100011834072_100009817552 [0,0,0,0,0,0|3,0,1]=4 209 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)C 34a_100000185769_100009817552 [0,0,0,0,0,0|2,0,1]=3 210 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)Cl 34a_100000756524_100009817552 [0,0,0,0,0,0|3,0,1]=4 211 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)F 34a_100000766463_100009817552 [0,0,0,0,0,0|3,0,1]=4 212 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)O 34a_100000743429_100009817552 [0,0,0,0,0,0|3,0,1]=4 213 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])Br 34a_100011834072_100000761209 [0,0,0,0,0,0|3,0,1]=4 214 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])C 34a_100000185769_100000761209 [0,0,0,0,0,0|2,0,1]=3 215 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])Cl 34a_100000756524_100000761209 [0,0,0,0,0,0|3,0,1]=4 216 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])F 34a_100000766463_100000761209 [0,0,0,0,0,0|3,0,1]=4 217 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])O 34a_100000743429_100000761209 [0,0,0,0,0,0|3,0,1]=4 218 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 34a_100009817157_100000187820 [0,0,0,0,0,0|2,0,0]=2 219 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 7a_100009817157_100000187820 [0,0,0,0,0,0|2,0,0]=2 220 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 34a_100000210341_100000187820 [0,0,0,0,0,0|1,0,0]=1 221 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 7a_100000210341_100000187820 [0,0,0,0,0,0|1,0,0]=1 222 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 34a_100000033731_100000187820 [0,0,0,0,0,0|2,0,0]=2 223 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 7a_100000033731_100000187820 [0,0,0,0,0,0|2,0,0]=2 224 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 34a_100011659162_100000187820 [0,0,0,0,0,0|2,0,0]=2 225 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 7a_100011659162_100000187820 [0,0,0,0,0,0|2,0,0]=2 226 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 34a_100000756359_100000187820 [0,0,0,0,0,0|2,0,0]=2 227 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 7a_100000756359_100000187820 [0,0,0,0,0,0|2,0,0]=2 228 B13R1.3787 Cc1cccc(c1OCC(=O)[13CH3])C 1458a_100000184085_200025704644 [0,0,0,0,0,0|1,0,0]=1 229 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Br 34a_100009817157_100020667443 [0,0,0,0,0,0|1,0,1]=2 230 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])C 34a_100000210341_100020667443 [0,0,0,0,0,0|0,0,1]=1 231 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Cl 34a_100000033731_100020667443 [0,0,0,0,0,0|1,0,1]=2 232 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])F 34a_100011659162_100020667443 [0,0,0,0,0,0|1,0,1]=2 233 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])N 34a_100000756359_100020667443 [0,0,0,0,0,0|1,0,1]=2 234 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 34a_100009817157_100000210624 [0,0,0,0,0,0|3,0,1]=4 235 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 7a_100009817157_100000210760 [0,0,0,0,0,0|3,0,1]=4 236 B13R1.3787 Cc1cccc(c1OCC(C)C)C 34a_100000210341_100000210624 [0,0,0,0,0,0|2,0,1]=3 237 B13R1.3787 Cc1cccc(c1OCC(C)C)C 7a_100000210341_100000210760 [0,0,0,0,0,0|2,0,1]=3 238 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 34a_100000033731_100000210624 [0,0,0,0,0,0|3,0,1]=4 239 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 7a_100000033731_100000210760 [0,0,0,0,0,0|3,0,1]=4 240 B13R1.3787 Cc1cccc(c1OCC(C)C)F 34a_100011659162_100000210624 [0,0,0,0,0,0|3,0,1]=4 241 B13R1.3787 Cc1cccc(c1OCC(C)C)F 7a_100011659162_100000210760 [0,0,0,0,0,0|3,0,1]=4 242 B13R1.3787 Cc1cccc(c1OCC(C)C)N 34a_100000756359_100000210624 [0,0,0,0,0,0|3,0,1]=4 243 B13R1.3787 Cc1cccc(c1OCC(C)C)N 7a_100000756359_100000210760 [0,0,0,0,0,0|3,0,1]=4 244 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 34a_100009817157_100011218427 [0,0,0,0,0,0|2,0,1]=3 245 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 7a_100009817157_100011218427 [0,0,0,0,0,0|2,0,1]=3 246 B13R1.3787 Cc1cccc(c1OCC(C)O)C 34a_100000210341_100011218427 [0,0,0,0,0,0|1,0,1]=2 247 B13R1.3787 Cc1cccc(c1OCC(C)O)C 7a_100000210341_100011218427 [0,0,0,0,0,0|1,0,1]=2 248 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 34a_100000033731_100011218427 [0,0,0,0,0,0|2,0,1]=3 249 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 7a_100000033731_100011218427 [0,0,0,0,0,0|2,0,1]=3 250 B13R1.3787 Cc1cccc(c1OCC(C)O)F 34a_100011659162_100011218427 [0,0,0,0,0,0|2,0,1]=3 251 B13R1.3787 Cc1cccc(c1OCC(C)O)F 7a_100011659162_100011218427 [0,0,0,0,0,0|2,0,1]=3 252 B13R1.3787 Cc1cccc(c1OCC(C)O)N 34a_100000756359_100011218427 [0,0,0,0,0,0|2,0,1]=3 253 B13R1.3787 Cc1cccc(c1OCC(C)O)N 7a_100000756359_100011218427 [0,0,0,0,0,0|2,0,1]=3 254 B13R1.3787 Cc1cccc(c1OCC(F)F)Br 34a_100009817157_100011934356 [0,0,0,0,0,0|3,0,1]=4 255 B13R1.3787 Cc1cccc(c1OCC(F)F)Br 7a_100009817157_100011934356 [0,0,0,0,0,0|3,0,1]=4 256 B13R1.3787 Cc1cccc(c1OCC(F)F)C 34a_100000210341_100011934356 [0,0,0,0,0,0|2,0,1]=3 257 B13R1.3787 Cc1cccc(c1OCC(F)F)C 7a_100000210341_100011934356 [0,0,0,0,0,0|2,0,1]=3 258 B13R1.3787 Cc1cccc(c1OCC(F)F)Cl 34a_100000033731_100011934356 [0,0,0,0,0,0|3,0,1]=4 259 B13R1.3787 Cc1cccc(c1OCC(F)F)Cl 7a_100000033731_100011934356 [0,0,0,0,0,0|3,0,1]=4 260 B13R1.3787 Cc1cccc(c1OCC(F)F)F 34a_100011659162_100011934356 [0,0,0,0,0,0|3,0,1]=4 261 B13R1.3787 Cc1cccc(c1OCC(F)F)F 7a_100011659162_100011934356 [0,0,0,0,0,0|3,0,1]=4 262 B13R1.3787 Cc1cccc(c1OCC(F)F)N 34a_100000756359_100011934356 [0,0,0,0,0,0|3,0,1]=4 263 B13R1.3787 Cc1cccc(c1OCC(F)F)N 7a_100000756359_100011934356 [0,0,0,0,0,0|3,0,1]=4 264 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 34a_100009817157_100009817552 [0,0,0,0,0,0|2,0,1]=3 265 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 7a_100009817157_100009817552 [0,0,0,0,0,0|2,0,1]=3 266 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 34a_100000210341_100009817552 [0,0,0,0,0,0|1,0,1]=2 267 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 7a_100000210341_100009817552 [0,0,0,0,0,0|1,0,1]=2 268 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 34a_100000033731_100009817552 [0,0,0,0,0,0|2,0,1]=3 269 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 7a_100000033731_100009817552 [0,0,0,0,0,0|2,0,1]=3 270 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 34a_100011659162_100009817552 [0,0,0,0,0,0|2,0,1]=3 271 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 7a_100011659162_100009817552 [0,0,0,0,0,0|2,0,1]=3 272 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 34a_100000756359_100009817552 [0,0,0,0,0,0|2,0,1]=3 273 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 7a_100000756359_100009817552 [0,0,0,0,0,0|2,0,1]=3 274 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Br 34a_100009817157_100000761209 [0,0,0,0,0,0|2,0,1]=3 275 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])C 34a_100000210341_100000761209 [0,0,0,0,0,0|1,0,1]=2 276 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000033731_100000761209 [0,0,0,0,0,0|2,0,1]=3 277 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])F 34a_100011659162_100000761209 [0,0,0,0,0,0|2,0,1]=3 278 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])N 34a_100000756359_100000761209 [0,0,0,0,0,0|2,0,1]=3 279 B13R1.3787 Cc1cccc(c1SCC(=O)N)Br 62a_100000747473_100010141302 [0,0,0,0,0,0|2,1,0]=3 280 B13R1.3787 Cc1cccc(c1SCC(=O)N)Br 62a_100010141302_100000747473 [0,0,0,0,0,0|2,1,0]=3 281 B13R1.3787 Cc1cccc(c1SCC(=O)N)C 62a_100000033847_100000747473 [0,0,0,0,0,0|1,1,0]=2 282 B13R1.3787 Cc1cccc(c1SCC(=O)N)C 62a_100000747473_100000033847 [0,0,0,0,0,0|1,1,0]=2 283 B13R1.3787 Cc1cccc(c1SCC(=O)N)Cl 62a_100000043165_100000747473 [0,0,0,0,0,0|2,1,0]=3 284 B13R1.3787 Cc1cccc(c1SCC(=O)N)Cl 62a_100000747473_100000043165 [0,0,0,0,0,0|2,1,0]=3 285 B13R1.3787 Cc1cccc(c1SCC(=O)N)F 62a_100000747473_100011218421 [0,0,0,0,0,0|2,1,0]=3 286 B13R1.3787 Cc1cccc(c1SCC(=O)N)F 62a_100011218421_100000747473 [0,0,0,0,0,0|2,1,0]=3 287 B13R1.3787 Cc1cccc(c1SCC(=O)N)N 62a_100000684715_100000747473 [0,0,0,0,0,0|2,1,0]=3 288 B13R1.3787 Cc1cccc(c1SCC(=O)N)N 62a_100000747473_100000684715 [0,0,0,0,0,0|2,1,0]=3 289 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000686692_100000747473 [0,0,0,0,0,0|2,1,0]=3 290 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000747473_100000686692 [0,0,0,0,0,0|2,1,0]=3 291 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Br 62a_100010141302_100020667443 [0,0,0,0,0,0|1,1,1]=3 292 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100010141302 [0,0,0,0,0,0|1,1,1]=3 293 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])C 62a_100000033847_100020667443 [0,0,0,0,0,0|0,1,1]=2 294 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])C 62a_100020667443_100000033847 [0,0,0,0,0,0|0,1,1]=2 295 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Cl 62a_100000043165_100020667443 [0,0,0,0,0,0|1,1,1]=3 296 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Cl 62a_100020667443_100000043165 [0,0,0,0,0,0|1,1,1]=3 297 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])F 62a_100011218421_100020667443 [0,0,0,0,0,0|1,1,1]=3 298 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100011218421 [0,0,0,0,0,0|1,1,1]=3 299 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])N 62a_100000684715_100020667443 [0,0,0,0,0,0|1,1,1]=3 300 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])N 62a_100020667443_100000684715 [0,0,0,0,0,0|1,1,1]=3 301 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100000686692_100020667443 [0,0,0,0,0,0|1,1,1]=3 302 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100000686692 [0,0,0,0,0,0|1,1,1]=3 303 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000033847_100000210760 [0,0,0,0,0,0|2,1,1]=4 304 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000210624_100000033847 [0,0,0,0,0,0|2,1,1]=4 305 B13R1.3787 Cc1cccc(c1SCC(C)O)Br 62a_100010141302_100011218427 [0,0,0,0,0,0|2,1,1]=4 306 B13R1.3787 Cc1cccc(c1SCC(C)O)Br 62a_100011218427_100010141302 [0,0,0,0,0,0|2,1,1]=4 307 B13R1.3787 Cc1cccc(c1SCC(C)O)C 62a_100000033847_100011218427 [0,0,0,0,0,0|1,1,1]=3 308 B13R1.3787 Cc1cccc(c1SCC(C)O)C 62a_100011218427_100000033847 [0,0,0,0,0,0|1,1,1]=3 309 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100000043165_100011218427 [0,0,0,0,0,0|2,1,1]=4 310 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100011218427_100000043165 [0,0,0,0,0,0|2,1,1]=4 311 B13R1.3787 Cc1cccc(c1SCC(C)O)F 62a_100011218421_100011218427 [0,0,0,0,0,0|2,1,1]=4 312 B13R1.3787 Cc1cccc(c1SCC(C)O)F 62a_100011218427_100011218421 [0,0,0,0,0,0|2,1,1]=4 313 B13R1.3787 Cc1cccc(c1SCC(C)O)N 62a_100000684715_100011218427 [0,0,0,0,0,0|2,1,1]=4 314 B13R1.3787 Cc1cccc(c1SCC(C)O)N 62a_100011218427_100000684715 [0,0,0,0,0,0|2,1,1]=4 315 B13R1.3787 Cc1cccc(c1SCC(C)O)O 62a_100000686692_100011218427 [0,0,0,0,0,0|2,1,1]=4 316 B13R1.3787 Cc1cccc(c1SCC(C)O)O 62a_100011218427_100000686692 [0,0,0,0,0,0|2,1,1]=4 317 B13R1.3787 Cc1cccc(c1SCC(F)F)C 62a_100000033847_100011934356 [0,0,0,0,0,0|2,1,1]=4 318 B13R1.3787 Cc1cccc(c1SCC(F)F)C 62a_100011934356_100000033847 [0,0,0,0,0,0|2,1,1]=4 319 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Br 62a_100009817552_100010141302 [0,0,0,0,0,0|2,1,1]=4 320 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Br 62a_100010141302_100009817552 [0,0,0,0,0,0|2,1,1]=4 321 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)C 62a_100000033847_100009817552 [0,0,0,0,0,0|1,1,1]=3 322 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100000033847 [0,0,0,0,0,0|1,1,1]=3 323 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100000043165_100009817552 [0,0,0,0,0,0|2,1,1]=4 324 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100009817552_100000043165 [0,0,0,0,0,0|2,1,1]=4 325 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)F 62a_100009817552_100011218421 [0,0,0,0,0,0|2,1,1]=4 326 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)F 62a_100011218421_100009817552 [0,0,0,0,0,0|2,1,1]=4 327 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)N 62a_100000684715_100009817552 [0,0,0,0,0,0|2,1,1]=4 328 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)N 62a_100009817552_100000684715 [0,0,0,0,0,0|2,1,1]=4 329 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)O 62a_100000686692_100009817552 [0,0,0,0,0,0|2,1,1]=4 330 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)O 62a_100009817552_100000686692 [0,0,0,0,0,0|2,1,1]=4 331 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])Br 62a_100010141302_100000761209 [0,0,0,0,0,0|2,1,1]=4 332 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])C 62a_100000033847_100000761209 [0,0,0,0,0,0|1,1,1]=3 333 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])Cl 62a_100000043165_100000761209 [0,0,0,0,0,0|2,1,1]=4 334 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])F 62a_100011218421_100000761209 [0,0,0,0,0,0|2,1,1]=4 335 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])N 62a_100000684715_100000761209 [0,0,0,0,0,0|2,1,1]=4 336 B13R1.3787 Cc1cccc(c1SC[N+](=O)[O-])O 62a_100000686692_100000761209 [0,0,0,0,0,0|2,1,1]=4 337 B13R1.3787 Cc1ccnc(c1OCC(=O)N)C 34a_100011934651_100000187820 [0,0,0,0,0,0|2,0,0]=2 338 B13R1.3787 Cc1ccnc(c1OCC(=O)N)C 7a_100011934651_100000187820 [0,0,0,0,0,0|2,0,0]=2 339 B13R1.3787 Cc1ccnc(c1OCC(=O)N)Cl 34a_100000696282_100000187820 [0,0,0,0,0,0|3,0,0]=3 340 B13R1.3787 Cc1ccnc(c1OCC(=O)N)Cl 7a_100000696282_100000187820 [0,0,0,0,0,0|3,0,0]=3 341 B13R1.3787 Cc1ccnc(c1OCC(=O)[O-])C 34a_100011934651_100020667443 [0,0,0,0,0,0|1,0,1]=2 342 B13R1.3787 Cc1ccnc(c1OCC(=O)[O-])Cl 34a_100000696282_100020667443 [0,0,0,0,0,0|2,0,1]=3 343 B13R1.3787 Cc1ccnc(c1OCC(C)C)C 34a_100011934651_100000210624 [0,0,0,0,0,0|3,0,1]=4 344 B13R1.3787 Cc1ccnc(c1OCC(C)C)C 7a_100011934651_100000210760 [0,0,0,0,0,0|3,0,1]=4 345 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 34a_100011934651_100011218427 [0,0,0,0,0,0|2,0,1]=3 346 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 7a_100011934651_100011218427 [0,0,0,0,0,0|2,0,1]=3 347 B13R1.3787 Cc1ccnc(c1OCC(C)O)Cl 34a_100000696282_100011218427 [0,0,0,0,0,0|3,0,1]=4 348 B13R1.3787 Cc1ccnc(c1OCC(C)O)Cl 7a_100000696282_100011218427 [0,0,0,0,0,0|3,0,1]=4 349 B13R1.3787 Cc1ccnc(c1OCC(F)F)C 34a_100011934651_100011934356 [0,0,0,0,0,0|3,0,1]=4 350 B13R1.3787 Cc1ccnc(c1OCC(F)F)C 7a_100011934651_100011934356 [0,0,0,0,0,0|3,0,1]=4 351 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 34a_100011934651_100009817552 [0,0,0,0,0,0|2,0,1]=3 352 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 7a_100011934651_100009817552 [0,0,0,0,0,0|2,0,1]=3 353 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)Cl 34a_100000696282_100009817552 [0,0,0,0,0,0|3,0,1]=4 354 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)Cl 7a_100000696282_100009817552 [0,0,0,0,0,0|3,0,1]=4 355 B13R1.3787 Cc1ccnc(c1OC[N+](=O)[O-])C 34a_100011934651_100000761209 [0,0,0,0,0,0|2,0,1]=3 356 B13R1.3787 Cc1ccnc(c1OC[N+](=O)[O-])Cl 34a_100000696282_100000761209 [0,0,0,0,0,0|3,0,1]=4 357 B13R1.3787 Cc1ccnc(c1SCC(=O)N)C 62a_100000747473_100012000501 [0,0,0,0,0,0|2,1,0]=3 358 B13R1.3787 Cc1ccnc(c1SCC(=O)N)C 62a_100012000501_100000747473 [0,0,0,0,0,0|2,1,0]=3 359 B13R1.3787 Cc1ccnc(c1SCC(=O)N)Cl 62a_100000747473_100010248874 [0,0,0,0,0,0|3,1,0]=4 360 B13R1.3787 Cc1ccnc(c1SCC(=O)N)Cl 62a_100010248874_100000747473 [0,0,0,0,0,0|3,1,0]=4 361 B13R1.3787 Cc1ccnc(c1SCC(=O)N)F 62a_100000747473_100009818256 [0,0,0,0,0,0|3,1,0]=4 362 B13R1.3787 Cc1ccnc(c1SCC(=O)N)F 62a_100009818256_100000747473 [0,0,0,0,0,0|3,1,0]=4 363 B13R1.3787 Cc1ccnc(c1SCC(=O)N)N 62a_100000747473_100011998619 [0,0,0,0,0,0|3,1,0]=4 364 B13R1.3787 Cc1ccnc(c1SCC(=O)N)N 62a_100011998619_100000747473 [0,0,0,0,0,0|3,1,0]=4 365 B13R1.3787 Cc1ccnc(c1SCC(=O)N)O 62a_100000747473_100012000493 [0,0,0,0,0,0|3,1,0]=4 366 B13R1.3787 Cc1ccnc(c1SCC(=O)N)O 62a_100012000493_100000747473 [0,0,0,0,0,0|3,1,0]=4 367 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])C 62a_100012000501_100020667443 [0,0,0,0,0,0|1,1,1]=3 368 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])C 62a_100020667443_100012000501 [0,0,0,0,0,0|1,1,1]=3 369 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])Cl 62a_100010248874_100020667443 [0,0,0,0,0,0|2,1,1]=4 370 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])Cl 62a_100020667443_100010248874 [0,0,0,0,0,0|2,1,1]=4 371 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])F 62a_100009818256_100020667443 [0,0,0,0,0,0|2,1,1]=4 372 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])F 62a_100020667443_100009818256 [0,0,0,0,0,0|2,1,1]=4 373 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])N 62a_100011998619_100020667443 [0,0,0,0,0,0|2,1,1]=4 374 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])N 62a_100020667443_100011998619 [0,0,0,0,0,0|2,1,1]=4 375 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])O 62a_100012000493_100020667443 [0,0,0,0,0,0|2,1,1]=4 376 B13R1.3787 Cc1ccnc(c1SCC(=O)[O-])O 62a_100020667443_100012000493 [0,0,0,0,0,0|2,1,1]=4 377 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100011218427_100012000501 [0,0,0,0,0,0|2,1,1]=4 378 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100012000501_100011218427 [0,0,0,0,0,0|2,1,1]=4 379 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100009817552_100012000501 [0,0,0,0,0,0|2,1,1]=4 380 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100012000501_100009817552 [0,0,0,0,0,0|2,1,1]=4 381 B13R1.3787 Cc1ccnc(c1SC[N+](=O)[O-])C 62a_100012000501_100000761209 [0,0,0,0,0,0|2,1,1]=4 382 B13R1.3787 Cc1cncc(c1SCC(=O)N)C 62a_100000747473_100009817138 [0,0,0,0,0,0|2,1,0]=3 383 B13R1.3787 Cc1cncc(c1SCC(=O)N)C 62a_100009817138_100000747473 [0,0,0,0,0,0|2,1,0]=3 384 B13R1.3787 Cc1cncc(c1SCC(=O)[O-])C 62a_100009817138_100020667443 [0,0,0,0,0,0|1,1,1]=3 385 B13R1.3787 Cc1cncc(c1SCC(=O)[O-])C 62a_100020667443_100009817138 [0,0,0,0,0,0|1,1,1]=3 386 B13R1.3787 Cc1cncc(c1SCC(C)O)C 62a_100009817138_100011218427 [0,0,0,0,0,0|2,1,1]=4 387 B13R1.3787 Cc1cncc(c1SCC(C)O)C 62a_100011218427_100009817138 [0,0,0,0,0,0|2,1,1]=4 388 B13R1.3787 Cc1cncc(c1SC[C@@H](C)O)C 62a_100009817138_100009817552 [0,0,0,0,0,0|2,1,1]=4 389 B13R1.3787 Cc1cncc(c1SC[C@@H](C)O)C 62a_100009817552_100009817138 [0,0,0,0,0,0|2,1,1]=4 390 B13R1.3787 Cc1cncc(c1SC[N+](=O)[O-])C 62a_100009817138_100000761209 [0,0,0,0,0,0|2,1,1]=4 391 B13R1.3787 Cc1nccc(c1SCC(=O)N)N 62a_100000747473_100010243816 [0,0,0,0,0,0|3,1,0]=4 392 B13R1.3787 Cc1nccc(c1SCC(=O)N)N 62a_100010243816_100000747473 [0,0,0,0,0,0|3,1,0]=4 393 B13R1.3787 Cc1nccc(c1SCC(=O)[O-])N 62a_100010243816_100020667443 [0,0,0,0,0,0|2,1,1]=4 394 B13R1.3787 Cc1nccc(c1SCC(=O)[O-])N 62a_100020667443_100010243816 [0,0,0,0,0,0|2,1,1]=4 395 B13R1.3787 Cc1ncnc(c1OCC(=O)N)C 34a_100009878406_100000187820 [0,0,0,0,0,0|3,0,0]=3 396 B13R1.3787 Cc1ncnc(c1OCC(=O)N)C 7a_100009878406_100000187820 [0,0,0,0,0,0|3,0,0]=3 397 B13R1.3787 Cc1ncnc(c1OCC(=O)[O-])C 34a_100009878406_100020667443 [0,0,0,0,0,0|2,0,1]=3 398 B13R1.3787 Cc1ncnc(c1OCC(C)O)C 34a_100009878406_100011218427 [0,0,0,0,0,0|3,0,1]=4 399 B13R1.3787 Cc1ncnc(c1OCC(C)O)C 7a_100009878406_100011218427 [0,0,0,0,0,0|3,0,1]=4 400 B13R1.3787 Cc1ncnc(c1OC[C@@H](C)O)C 34a_100009878406_100009817552 [0,0,0,0,0,0|3,0,1]=4 401 B13R1.3787 Cc1ncnc(c1OC[C@@H](C)O)C 7a_100009878406_100009817552 [0,0,0,0,0,0|3,0,1]=4 402 B13R1.3787 Cc1ncnc(c1OC[N+](=O)[O-])C 34a_100009878406_100000761209 [0,0,0,0,0,0|3,0,1]=4 403 B13R1.3787 Cc1ncnc(c1SCC(=O)N)C 62a_100000747473_100009820708 [0,0,0,0,0,0|3,1,0]=4 404 B13R1.3787 Cc1ncnc(c1SCC(=O)N)C 62a_100009820708_100000747473 [0,0,0,0,0,0|3,1,0]=4 405 B13R1.3787 Cc1ncnc(c1SCC(=O)[O-])C 62a_100009820708_100020667443 [0,0,0,0,0,0|2,1,1]=4 406 B13R1.3787 Cc1ncnc(c1SCC(=O)[O-])C 62a_100020667443_100009820708 [0,0,0,0,0,0|2,1,1]=4 407 B13R1.3787 Cc1occc(=O)c1OCC(=O)N 34a_100000031901_100000187820 [0,0,0,0,0,0|3,0,0]=3 408 B13R1.3787 Cc1occc(=O)c1OCC(=O)[O-] 34a_100000031901_100020667443 [0,0,0,0,0,0|2,0,1]=3 409 B13R1.3787 Cc1occc(=O)c1OCC(C)O 34a_100000031901_100011218427 [0,0,0,0,0,0|3,0,1]=4 410 B13R1.3787 Cc1occc(=O)c1OC[C@@H](C)O 34a_100000031901_100009817552 [0,0,0,0,0,0|3,0,1]=4 411 B13R1.3787 Cc1occc(=O)c1OC[N+](=O)[O-] 34a_100000031901_100000761209 [0,0,0,0,0,0|3,0,1]=4 412 B13R1.3787 NC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000187820 [0,0,0,0,0,0|4,0,0]=4 413 B13R1.3787 NC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000187820 [0,0,0,0,0,0|4,0,0]=4 414 B13R1.3787 NC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000187820 [0,0,0,0,0,0|4,0,0]=4 415 B13R1.3787 NC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000187820 [0,0,0,0,0,0|4,0,0]=4 416 B13R1.3787 NC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000187820 [0,0,0,0,0,0|4,0,0]=4 417 B13R1.3787 NC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000187820 [0,0,0,0,0,0|4,0,0]=4 418 B13R1.3787 NC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000187820 [0,0,0,0,0,0|4,0,0]=4 419 B13R1.3787 NC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000747473 [0,0,0,0,0,0|4,0,0]=4 420 B13R1.3787 NC(=O)CNc1c(cccc1F)F 34a_100000210704_100000187820 [0,0,0,0,0,0|4,0,0]=4 421 B13R1.3787 NC(=O)CNc1c(cccc1F)O 34a_100020591140_100000187820 [0,0,0,0,0,0|4,0,0]=4 422 B13R1.3787 NC(=O)CNc1c(cccc1I)F 34a_100000042321_100000187820 [0,0,0,0,0,0|4,0,0]=4 423 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000187820 [0,0,0,0,0,0|3,0,0]=3 424 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000187820 [0,0,0,0,0,0|3,0,0]=3 425 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000187820 [0,0,0,0,0,0|3,0,0]=3 426 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000187820 [0,0,0,0,0,0|3,0,0]=3 427 B13R1.3787 NC(=O)COc1c(cccc1Br)F 34a_100009813666_100000187820 [0,0,0,0,0,0|3,0,0]=3 428 B13R1.3787 NC(=O)COc1c(cccc1Br)F 7a_100009813666_100000187820 [0,0,0,0,0,0|3,0,0]=3 429 B13R1.3787 NC(=O)COc1c(cccc1Br)N 34a_100011934915_100000187820 [0,0,0,0,0,0|3,0,0]=3 430 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000187820 [0,0,0,0,0,0|3,0,0]=3 431 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000187820 [0,0,0,0,0,0|3,0,0]=3 432 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000187820 [0,0,0,0,0,0|3,0,0]=3 433 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000187820 [0,0,0,0,0,0|3,0,0]=3 434 B13R1.3787 NC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000187820 [0,0,0,0,0,0|3,0,0]=3 435 B13R1.3787 NC(=O)COc1c(cccc1F)F 34a_100000230165_100000187820 [0,0,0,0,0,0|3,0,0]=3 436 B13R1.3787 NC(=O)COc1c(cccc1F)F 7a_100000230165_100000187820 [0,0,0,0,0,0|3,0,0]=3 437 B13R1.3787 NC(=O)COc1c(cccc1F)N 34a_100011934987_100000187820 [0,0,0,0,0,0|3,0,0]=3 438 B13R1.3787 NC(=O)COc1c(cccc1I)Br 34a_100010084509_100000187820 [0,0,0,0,0,0|3,0,0]=3 439 B13R1.3787 NC(=O)COc1c(cccc1I)Br 7a_100010084509_100000187820 [0,0,0,0,0,0|3,0,0]=3 440 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000187820 [0,0,0,0,0,0|3,0,0]=3 441 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000187820 [0,0,0,0,0,0|3,0,0]=3 442 B13R1.3787 NC(=O)COc1c(cccc1I)F 34a_100010186298_100000187820 [0,0,0,0,0,0|3,0,0]=3 443 B13R1.3787 NC(=O)COc1c(cccc1I)F 7a_100010186298_100000187820 [0,0,0,0,0,0|3,0,0]=3 444 B13R1.3787 NC(=O)COc1c(cccc1I)N 34a_100010084371_100000187820 [0,0,0,0,0,0|3,0,0]=3 445 B13R1.3787 NC(=O)COc1c(cccc1N)N 34a_200016994477_100000187820 [0,0,0,0,0,0|3,0,0]=3 446 B13R1.3787 NC(=O)COc1c(ccnc1Cl)Cl 34a_100000118450_100000187820 [0,0,0,0,0,0|4,0,0]=4 447 B13R1.3787 NC(=O)COc1c(ccnc1Cl)Cl 7a_100000118450_100000187820 [0,0,0,0,0,0|4,0,0]=4 448 B13R1.3787 NC(=O)COc1c(ccnc1Cl)F 34a_100009867227_100000187820 [0,0,0,0,0,0|4,0,0]=4 449 B13R1.3787 NC(=O)COc1c(ccnc1Cl)F 7a_100009867227_100000187820 [0,0,0,0,0,0|4,0,0]=4 450 B13R1.3787 NC(=O)COc1c(ccnc1Cl)I 34a_100010067911_100000187820 [0,0,0,0,0,0|4,0,0]=4 451 B13R1.3787 NC(=O)COc1c(ccnc1Cl)I 7a_100010067911_100000187820 [0,0,0,0,0,0|4,0,0]=4 452 B13R1.3787 NC(=O)COc1c(ccnc1Cl)N 34a_100009844647_100000187820 [0,0,0,0,0,0|4,0,0]=4 453 B13R1.3787 NC(=O)COc1c(ccnc1Cl)N 7a_100009844647_100000187820 [0,0,0,0,0,0|4,0,0]=4 454 B13R1.3787 NC(=O)CSc1c(cccc1Br)Br 62a_100000747473_100009994525 [0,0,0,0,0,0|3,1,0]=4 455 B13R1.3787 NC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000747473 [0,0,0,0,0,0|3,1,0]=4 456 B13R1.3787 NC(=O)CSc1c(cccc1Br)Cl 62a_100000747473_100010214488 [0,0,0,0,0,0|3,1,0]=4 457 B13R1.3787 NC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000747473 [0,0,0,0,0,0|3,1,0]=4 458 B13R1.3787 NC(=O)CSc1c(cccc1Br)F 62a_100000747473_100011219512 [0,0,0,0,0,0|3,1,0]=4 459 B13R1.3787 NC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000747473 [0,0,0,0,0,0|3,1,0]=4 460 B13R1.3787 NC(=O)CSc1c(cccc1Br)N 62a_100000747473_100020590159 [0,0,0,0,0,0|3,1,0]=4 461 B13R1.3787 NC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000747473 [0,0,0,0,0,0|3,1,0]=4 462 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100000747473_100010187912 [0,0,0,0,0,0|3,1,0]=4 463 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747473 [0,0,0,0,0,0|3,1,0]=4 464 B13R1.3787 NC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000747473 [0,0,0,0,0,0|3,1,0]=4 465 B13R1.3787 NC(=O)CSc1c(cccc1Cl)Cl 62a_100000747473_100000034237 [0,0,0,0,0,0|3,1,0]=4 466 B13R1.3787 NC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000747473 [0,0,0,0,0,0|3,1,0]=4 467 B13R1.3787 NC(=O)CSc1c(cccc1Cl)F 62a_100000747473_100000050007 [0,0,0,0,0,0|3,1,0]=4 468 B13R1.3787 NC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000747473 [0,0,0,0,0,0|3,1,0]=4 469 B13R1.3787 NC(=O)CSc1c(cccc1Cl)N 62a_100000747473_100000049713 [0,0,0,0,0,0|3,1,0]=4 470 B13R1.3787 NC(=O)CSc1c(cccc1Cl)O 62a_100000747473_100000050174 [0,0,0,0,0,0|3,1,0]=4 471 B13R1.3787 NC(=O)CSc1c(cccc1F)F 62a_100000693133_100000747473 [0,0,0,0,0,0|3,1,0]=4 472 B13R1.3787 NC(=O)CSc1c(cccc1F)F 62a_100000747473_100000693133 [0,0,0,0,0,0|3,1,0]=4 473 B13R1.3787 NC(=O)CSc1c(cccc1F)N 62a_100000690935_100000747473 [0,0,0,0,0,0|3,1,0]=4 474 B13R1.3787 NC(=O)CSc1c(cccc1F)N 62a_100000747473_100000690935 [0,0,0,0,0,0|3,1,0]=4 475 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100000747473_100009820682 [0,0,0,0,0,0|3,1,0]=4 476 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747473 [0,0,0,0,0,0|3,1,0]=4 477 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100000747473_100012183704 [0,0,0,0,0,0|3,1,0]=4 478 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747473 [0,0,0,0,0,0|3,1,0]=4 479 B13R1.3787 NC(=O)CSc1c(cccc1O)O 62a_100000747473_100010205330 [0,0,0,0,0,0|3,1,0]=4 480 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Br 34a_100011934915_100020667443 [0,0,0,0,0,0|2,0,1]=3 481 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Cl 34a_100000754742_100020667443 [0,0,0,0,0,0|2,0,1]=3 482 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])F 34a_100011934987_100020667443 [0,0,0,0,0,0|2,0,1]=3 483 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])I 34a_100010084371_100020667443 [0,0,0,0,0,0|2,0,1]=3 484 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])N 34a_200016994477_100020667443 [0,0,0,0,0,0|2,0,1]=3 485 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Br 34a_100011934915_100000761209 [0,0,0,0,0,0|3,0,1]=4 486 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000754742_100000761209 [0,0,0,0,0,0|3,0,1]=4 487 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])F 34a_100011934987_100000761209 [0,0,0,0,0,0|3,0,1]=4 488 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])I 34a_100010084371_100000761209 [0,0,0,0,0,0|3,0,1]=4 489 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])N 34a_200016994477_100000761209 [0,0,0,0,0,0|3,0,1]=4 490 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Br 62a_100020590159_100020667443 [0,0,0,0,0,0|2,1,1]=4 491 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100020590159 [0,0,0,0,0,0|2,1,1]=4 492 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Cl 62a_100000049713_100020667443 [0,0,0,0,0,0|2,1,1]=4 493 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Cl 62a_100020667443_100000049713 [0,0,0,0,0,0|2,1,1]=4 494 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])F 62a_100000690935_100020667443 [0,0,0,0,0,0|2,1,1]=4 495 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100000690935 [0,0,0,0,0,0|2,1,1]=4 496 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100012183704_100020667443 [0,0,0,0,0,0|2,1,1]=4 497 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100012183704 [0,0,0,0,0,0|2,1,1]=4 498 B13R1.3787 Nc1ccnc(c1OCC(=O)[O-])Cl 34a_100009844647_100020667443 [0,0,0,0,0,0|3,0,1]=4 499 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Br 34a_100000690995_100020667443 [0,0,0,0,0,0|3,0,1]=4 500 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Cl 34a_100102946385_100020667443 [0,0,0,0,0,0|3,0,1]=4 501 B13R1.3787 O=C([O-])CNc1c(cccc1Br)F 34a_100000684712_100020667443 [0,0,0,0,0,0|3,0,1]=4 502 B13R1.3787 O=C([O-])CNc1c(cccc1Br)O 34a_100011934926_100020667443 [0,0,0,0,0,0|3,0,1]=4 503 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)Cl 34a_100000210028_100020667443 [0,0,0,0,0,0|3,0,1]=4 504 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)F 34a_100000760031_100020667443 [0,0,0,0,0,0|3,0,1]=4 505 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)O 34a_100012022510_100020667443 [0,0,0,0,0,0|3,0,1]=4 506 B13R1.3787 O=C([O-])CNc1c(cccc1F)F 34a_100000210704_100020667443 [0,0,0,0,0,0|3,0,1]=4 507 B13R1.3787 O=C([O-])CNc1c(cccc1F)O 34a_100020591140_100020667443 [0,0,0,0,0,0|3,0,1]=4 508 B13R1.3787 O=C([O-])CNc1c(cccc1I)F 34a_100000042321_100020667443 [0,0,0,0,0,0|3,0,1]=4 509 B13R1.3787 O=C([O-])COc1c(cccc1Br)Br 34a_100000736428_100020667443 [0,0,0,0,0,0|2,0,1]=3 510 B13R1.3787 O=C([O-])COc1c(cccc1Br)Cl 34a_100010214474_100020667443 [0,0,0,0,0,0|2,0,1]=3 511 B13R1.3787 O=C([O-])COc1c(cccc1Br)F 34a_100009813666_100020667443 [0,0,0,0,0,0|2,0,1]=3 512 B13R1.3787 O=C([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100020667443 [0,0,0,0,0,0|2,0,1]=3 513 B13R1.3787 O=C([O-])COc1c(cccc1Cl)F 34a_100000694953_100020667443 [0,0,0,0,0,0|2,0,1]=3 514 B13R1.3787 O=C([O-])COc1c(cccc1F)F 34a_100000230165_100020667443 [0,0,0,0,0,0|2,0,1]=3 515 B13R1.3787 O=C([O-])COc1c(cccc1I)Br 34a_100010084509_100020667443 [0,0,0,0,0,0|2,0,1]=3 516 B13R1.3787 O=C([O-])COc1c(cccc1I)Cl 34a_100010202889_100020667443 [0,0,0,0,0,0|2,0,1]=3 517 B13R1.3787 O=C([O-])COc1c(cccc1I)F 34a_100010186298_100020667443 [0,0,0,0,0,0|2,0,1]=3 518 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)Cl 34a_100000118450_100020667443 [0,0,0,0,0,0|3,0,1]=4 519 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)F 34a_100009867227_100020667443 [0,0,0,0,0,0|3,0,1]=4 520 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)I 34a_100010067911_100020667443 [0,0,0,0,0,0|3,0,1]=4 521 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Br 62a_100009994525_100020667443 [0,0,0,0,0,0|2,1,1]=4 522 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Br 62a_100020667443_100009994525 [0,0,0,0,0,0|2,1,1]=4 523 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Cl 62a_100010214488_100020667443 [0,0,0,0,0,0|2,1,1]=4 524 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Cl 62a_100020667443_100010214488 [0,0,0,0,0,0|2,1,1]=4 525 B13R1.3787 O=C([O-])CSc1c(cccc1Br)F 62a_100011219512_100020667443 [0,0,0,0,0,0|2,1,1]=4 526 B13R1.3787 O=C([O-])CSc1c(cccc1Br)F 62a_100020667443_100011219512 [0,0,0,0,0,0|2,1,1]=4 527 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100010187912_100020667443 [0,0,0,0,0,0|2,1,1]=4 528 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100020667443_100010187912 [0,0,0,0,0,0|2,1,1]=4 529 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)Cl 62a_100000034237_100020667443 [0,0,0,0,0,0|2,1,1]=4 530 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)Cl 62a_100020667443_100000034237 [0,0,0,0,0,0|2,1,1]=4 531 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)F 62a_100000050007_100020667443 [0,0,0,0,0,0|2,1,1]=4 532 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)F 62a_100020667443_100000050007 [0,0,0,0,0,0|2,1,1]=4 533 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)O 62a_100020667443_100000050174 [0,0,0,0,0,0|2,1,1]=4 534 B13R1.3787 O=C([O-])CSc1c(cccc1F)F 62a_100000693133_100020667443 [0,0,0,0,0,0|2,1,1]=4 535 B13R1.3787 O=C([O-])CSc1c(cccc1F)F 62a_100020667443_100000693133 [0,0,0,0,0,0|2,1,1]=4 536 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100009820682_100020667443 [0,0,0,0,0,0|2,1,1]=4 537 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100020667443_100009820682 [0,0,0,0,0,0|2,1,1]=4 538 B13R1.3787 O=C([O-])CSc1c(cccc1O)O 62a_100020667443_100010205330 [0,0,0,0,0,0|2,1,1]=4 539 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Br 34a_100000736428_100000761209 [0,0,0,0,0,0|3,0,1]=4 540 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Cl 34a_100010214474_100000761209 [0,0,0,0,0,0|3,0,1]=4 541 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)F 34a_100009813666_100000761209 [0,0,0,0,0,0|3,0,1]=4 542 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100000761209 [0,0,0,0,0,0|3,0,1]=4 543 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)F 34a_100000694953_100000761209 [0,0,0,0,0,0|3,0,1]=4 544 B13R1.3787 O=[N+]([O-])COc1c(cccc1F)F 34a_100000230165_100000761209 [0,0,0,0,0,0|3,0,1]=4 545 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Br 34a_100010084509_100000761209 [0,0,0,0,0,0|3,0,1]=4 546 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Cl 34a_100010202889_100000761209 [0,0,0,0,0,0|3,0,1]=4 547 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)F 34a_100010186298_100000761209 [0,0,0,0,0,0|3,0,1]=4 548 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200025704644 [0,0,0,0,0,0|4,0,0]=4 549 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200025704644 [0,0,0,0,0,0|4,0,0]=4 550 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1F)F 1458a_100000738981_200025704644 [0,0,0,0,0,0|4,0,0]=4 551 B13R1.3787 [13CH3]C(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200025704644 [0,0,0,0,0,0|3,0,0]=3 552 B13R1.3787 [13CH3]C(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200025704644 [0,0,0,0,0,0|3,1,0]=4 553 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [1,0,0,0,0,0|3,0,0]=4 554 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [1,0,0,0,0,0|3,0,0]=4 555 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [1,0,0,0,0,0|3,0,0]=4 556 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [1,0,0,0,0,0|2,0,0]=3 557 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [1,0,0,0,0,0|2,0,0]=3 558 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [1,0,0,0,0,0|3,0,0]=4 559 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [1,0,0,0,0,0|3,0,0]=4 560 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [1,0,0,0,0,0|3,0,0]=4 561 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [1,0,0,0,0,0|3,0,0]=4 562 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [1,0,0,0,0,0|3,0,0]=4 563 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [1,0,0,0,0,0|3,0,0]=4 564 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [1,0,0,0,0,0|3,0,0]=4 565 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [1,0,0,0,0,0|3,0,0]=4 566 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [1,0,0,0,0,0|3,0,0]=4 567 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [1,0,0,0,0,0|3,0,0]=4 568 B12R1.125 C=C(C)COc1ccncc1C 34a_100000694293_100000748629 [1,0,0,0,0,0|3,0,0]=4 569 B12R1.125 C=C(C)COc1cnccc1C 34a_100011997053_100000748629 [1,0,0,0,0,0|3,0,0]=4 570 B12R1.125 C=C(C)COc1cnccc1C 7a_100011997053_100000748629 [1,0,0,0,0,0|3,0,0]=4 571 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [1,0,0,0,0,0|2,1,0]=4 572 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [1,0,0,0,0,0|2,1,0]=4 573 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [1,0,0,0,0,0|3,0,0]=4 574 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [1,0,0,0,0,0|3,0,0]=4 575 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [1,0,0,0,0,0|3,0,0]=4 576 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [1,0,0,0,0,0|2,0,0]=3 577 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [1,0,0,0,0,0|2,0,0]=3 578 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [1,0,0,0,0,0|3,0,0]=4 579 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [1,0,0,0,0,0|3,0,0]=4 580 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [1,0,0,0,0,0|3,0,0]=4 581 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [1,0,0,0,0,0|3,0,0]=4 582 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [1,0,0,0,0,0|3,0,0]=4 583 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [1,0,0,0,0,0|3,0,0]=4 584 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [1,0,0,0,0,0|3,0,0]=4 585 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [1,0,0,0,0,0|3,0,0]=4 586 B12R1.125 C=C(F)COc1cccnc1C 34a_100000745507_100009893438 [1,0,0,0,0,0|3,0,0]=4 587 B12R1.125 C=C(F)COc1cccnc1C 7a_100000745507_100000042424 [1,0,0,0,0,0|3,0,0]=4 588 B12R1.125 C=C(F)COc1ccncc1C 34a_100000694293_100009893438 [1,0,0,0,0,0|3,0,0]=4 589 B12R1.125 C=C(F)COc1cnccc1C 34a_100011997053_100009893438 [1,0,0,0,0,0|3,0,0]=4 590 B12R1.125 C=C(F)COc1cnccc1C 7a_100011997053_100000042424 [1,0,0,0,0,0|3,0,0]=4 591 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [1,0,0,0,0,0|2,1,0]=4 592 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [1,0,0,0,0,0|2,1,0]=4 593 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,0,0,0,0,0|3,0,0]=4 594 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,0,0,0,0,0|3,0,0]=4 595 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,0,0,0,0,0|2,0,0]=3 596 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,0,0,0,0,0|2,0,0]=3 597 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,0,0,0,0,0|3,0,0]=4 598 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,0,0,0,0,0|3,0,0]=4 599 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,0,0,0,0,0|3,0,0]=4 600 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,0,0,0,0,0|3,0,0]=4 601 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,0,0,0,0,0|3,0,0]=4 602 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,0,0,0,0,0|3,0,0]=4 603 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,0,0,0,0,0|3,0,0]=4 604 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [1,0,0,0,0,0|2,0,0]=3 605 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,0,0,0,0,0|1,0,0]=2 606 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [1,0,0,0,0,0|2,0,0]=3 607 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [1,0,0,0,0,0|2,0,0]=3 608 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,0,0,0,0,0|2,0,0]=3 609 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,0,0,0,0,0|1,1,0]=3 610 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [1,0,0,0,0,0|2,1,0]=4 611 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,0,0,0,0,0|2,1,0]=4 612 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,0,0,0,0,0|3,0,0]=4 613 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,0,0,0,0,0|3,0,0]=4 614 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,0,0,0,0,0|3,0,0]=4 615 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,0,0,0,0,0|3,0,0]=4 616 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [1,0,0,0,0,0|3,0,0]=4 617 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [1,0,0,0,0,0|2,0,1]=4 618 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [1,0,0,0,0,0|2,0,1]=4 619 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [1,0,0,0,0,0|2,0,1]=4 620 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [1,0,0,0,0,0|2,0,1]=4 621 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [1,0,0,0,0,0|2,0,1]=4 622 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [1,0,0,0,0,0|2,0,1]=4 623 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [1,0,0,0,0,0|2,0,1]=4 624 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [1,0,0,0,0,0|2,0,1]=4 625 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [1,0,0,0,0,0|2,0,1]=4 626 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [1,0,0,0,0,0|2,0,1]=4 627 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [1,0,0,0,0,0|2,0,1]=4 628 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [1,0,0,0,0,0|2,0,1]=4 629 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [1,0,0,0,0,0|2,0,1]=4 630 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [1,0,0,0,0,0|2,0,1]=4 631 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [1,0,0,0,0,0|2,0,1]=4 632 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [1,0,0,0,0,0|2,0,1]=4 633 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [1,0,0,0,0,0|2,0,1]=4 634 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [1,0,0,0,0,0|2,0,1]=4 635 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [1,0,0,0,0,0|2,0,1]=4 636 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [1,0,0,0,0,0|2,0,1]=4 637 B12R1.125 C[n+]1ccccc1SCC(=O)N 62a_100000747473_100000212160 [1,0,0,0,0,0|2,1,0]=4 638 B12R1.125 C[n+]1ccccc1SCC(=O)[O-] 62a_100020667443_100000212160 [1,0,0,0,0,0|1,1,1]=4 639 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,0,0,0,0,0|2,0,0]=3 640 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [1,0,0,0,0,0|2,0,0]=3 641 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [1,0,0,0,0,0|1,0,1]=3 642 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [1,0,0,0,0,0|2,0,1]=4 643 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [1,0,0,0,0,0|2,0,1]=4 644 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 34a_100015192222_100000761209 [1,0,0,0,0,0|2,0,1]=4 645 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [1,0,0,0,0,0|1,0,0]=2 646 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [1,0,0,0,0,0|1,0,0]=2 647 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,0,0,0,0,0|1,0,0]=2 648 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [1,0,0,0,0,0|0,0,1]=2 649 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [1,0,0,0,0,0|2,0,1]=4 650 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [1,0,0,0,0,0|2,0,1]=4 651 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [1,0,0,0,0,0|1,0,1]=3 652 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [1,0,0,0,0,0|1,0,1]=3 653 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [1,0,0,0,0,0|2,0,1]=4 654 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [1,0,0,0,0,0|2,0,1]=4 655 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [1,0,0,0,0,0|1,0,1]=3 656 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [1,0,0,0,0,0|1,0,1]=3 657 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [1,0,0,0,0,0|1,0,1]=3 658 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [1,0,0,0,0,0|1,1,0]=3 659 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [1,0,0,0,0,0|1,1,0]=3 660 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,0,0,0,0,0|1,1,0]=3 661 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [1,0,0,0,0,0|0,1,1]=3 662 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [1,0,0,0,0,0|0,1,1]=3 663 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [1,0,0,0,0,0|1,1,1]=4 664 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [1,0,0,0,0,0|1,1,1]=4 665 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [1,0,0,0,0,0|1,1,1]=4 666 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [1,0,0,0,0,0|1,1,1]=4 667 B12R1.125 Cc1ccccc1SC[N+](=O)[O-] 62a_100000210755_100000761209 [1,0,0,0,0,0|1,1,1]=4 668 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [1,0,0,0,0,0|2,1,0]=4 669 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [1,0,0,0,0,0|2,1,0]=4 670 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [1,0,0,0,0,0|1,1,1]=4 671 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [1,0,0,0,0,0|1,1,1]=4 672 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [1,0,0,0,0,0|2,0,0]=3 673 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [1,0,0,0,0,0|2,0,0]=3 674 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [1,0,0,0,0,0|1,0,1]=3 675 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [1,0,0,0,0,0|2,0,1]=4 676 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [1,0,0,0,0,0|2,0,1]=4 677 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [1,0,0,0,0,0|2,0,1]=4 678 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [1,0,0,0,0,0|2,0,1]=4 679 B12R1.125 Cc1ccncc1OC[N+](=O)[O-] 34a_100011997053_100000761209 [1,0,0,0,0,0|2,0,1]=4 680 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000747473_100000761580 [1,0,0,0,0,0|2,1,0]=4 681 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000761580_100000747473 [1,0,0,0,0,0|2,1,0]=4 682 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100000761580_100020667443 [1,0,0,0,0,0|1,1,1]=4 683 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100020667443_100000761580 [1,0,0,0,0,0|1,1,1]=4 684 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [1,0,0,0,0,0|2,0,0]=3 685 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [1,0,0,0,0,0|1,0,1]=3 686 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [1,0,0,0,0,0|2,0,1]=4 687 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [1,0,0,0,0,0|2,0,1]=4 688 B12R1.125 Cc1cnccc1OC[N+](=O)[O-] 34a_100000694293_100000761209 [1,0,0,0,0,0|2,0,1]=4 689 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000747473_100000765111 [1,0,0,0,0,0|2,1,0]=4 690 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000765111_100000747473 [1,0,0,0,0,0|2,1,0]=4 691 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100000765111_100020667443 [1,0,0,0,0,0|1,1,1]=4 692 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100020667443_100000765111 [1,0,0,0,0,0|1,1,1]=4 693 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [1,0,0,0,0,0|2,0,0]=3 694 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [1,0,0,0,0,0|2,0,0]=3 695 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [1,0,0,0,0,0|1,0,1]=3 696 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [1,0,0,0,0,0|2,0,1]=4 697 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [1,0,0,0,0,0|2,0,1]=4 698 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [1,0,0,0,0,0|2,0,1]=4 699 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [1,0,0,0,0,0|2,0,1]=4 700 B12R1.125 Cc1ncccc1OC[N+](=O)[O-] 34a_100000745507_100000761209 [1,0,0,0,0,0|2,0,1]=4 701 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000747473_100000751574 [1,0,0,0,0,0|2,1,0]=4 702 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000751574_100000747473 [1,0,0,0,0,0|2,1,0]=4 703 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100000751574_100020667443 [1,0,0,0,0,0|1,1,1]=4 704 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100020667443_100000751574 [1,0,0,0,0,0|1,1,1]=4 705 B12R1.125 Cc1nccnc1OCC(=O)N 34a_100000766352_100000187820 [1,0,0,0,0,0|3,0,0]=4 706 B12R1.125 Cc1nccnc1OCC(=O)[O-] 34a_100000766352_100020667443 [1,0,0,0,0,0|2,0,1]=4 707 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,0,0,0,0,0|3,0,0]=4 708 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [1,0,0,0,0,0|3,0,0]=4 709 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [1,0,0,0,0,0|3,0,0]=4 710 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [1,0,0,0,0,0|3,0,0]=4 711 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [1,0,0,0,0,0|3,0,0]=4 712 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [1,0,0,0,0,0|3,0,0]=4 713 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [1,0,0,0,0,0|3,0,0]=4 714 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [1,0,0,0,0,0|2,0,0]=3 715 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [1,0,0,0,0,0|2,0,0]=3 716 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [1,0,0,0,0,0|2,0,0]=3 717 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [1,0,0,0,0,0|2,0,0]=3 718 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [1,0,0,0,0,0|2,0,0]=3 719 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [1,0,0,0,0,0|2,0,0]=3 720 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [1,0,0,0,0,0|2,0,0]=3 721 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [1,0,0,0,0,0|2,0,0]=3 722 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [1,0,0,0,0,0|2,0,0]=3 723 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [1,0,0,0,0,0|2,0,0]=3 724 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [1,0,0,0,0,0|2,0,0]=3 725 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [1,0,0,0,0,0|3,0,0]=4 726 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [1,0,0,0,0,0|3,0,0]=4 727 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [1,0,0,0,0,0|3,0,0]=4 728 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [1,0,0,0,0,0|3,0,0]=4 729 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [1,0,0,0,0,0|3,0,0]=4 730 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [1,0,0,0,0,0|3,0,0]=4 731 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [1,0,0,0,0,0|3,0,0]=4 732 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [1,0,0,0,0,0|3,0,0]=4 733 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [1,0,0,0,0,0|3,0,0]=4 734 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [1,0,0,0,0,0|3,0,0]=4 735 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [1,0,0,0,0,0|3,0,0]=4 736 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [1,0,0,0,0,0|3,0,0]=4 737 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [1,0,0,0,0,0|3,0,0]=4 738 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [1,0,0,0,0,0|3,0,0]=4 739 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [1,0,0,0,0,0|3,0,0]=4 740 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [1,0,0,0,0,0|3,0,0]=4 741 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [1,0,0,0,0,0|3,0,0]=4 742 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [1,0,0,0,0,0|3,0,0]=4 743 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [1,0,0,0,0,0|3,0,0]=4 744 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [1,0,0,0,0,0|3,0,0]=4 745 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [1,0,0,0,0,0|3,0,0]=4 746 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [1,0,0,0,0,0|3,0,0]=4 747 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [1,0,0,0,0,0|2,1,0]=4 748 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [1,0,0,0,0,0|2,1,0]=4 749 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [1,0,0,0,0,0|2,1,0]=4 750 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [1,0,0,0,0,0|2,1,0]=4 751 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [1,0,0,0,0,0|2,1,0]=4 752 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [1,0,0,0,0,0|2,1,0]=4 753 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [1,0,0,0,0,0|2,1,0]=4 754 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [1,0,0,0,0,0|2,1,0]=4 755 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [1,0,0,0,0,0|2,1,0]=4 756 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [1,0,0,0,0,0|2,1,0]=4 757 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [1,0,0,0,0,0|1,0,1]=3 758 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [1,0,0,0,0,0|2,0,1]=4 759 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [1,0,0,0,0,0|1,1,1]=4 760 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [1,0,0,0,0,0|1,1,1]=4 761 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [1,0,0,0,0,0|2,0,1]=4 762 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [1,0,0,0,0,0|2,0,1]=4 763 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [1,0,0,0,0,0|2,0,1]=4 764 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [1,0,0,0,0,0|2,0,1]=4 765 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [1,0,0,0,0,0|2,0,1]=4 766 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [1,0,0,0,0,0|2,0,1]=4 767 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [1,0,0,0,0,0|2,0,1]=4 768 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [1,0,0,0,0,0|2,0,1]=4 769 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [1,0,0,0,0,0|1,0,1]=3 770 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [1,0,0,0,0,0|1,0,1]=3 771 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [1,0,0,0,0,0|1,0,1]=3 772 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [1,0,0,0,0,0|1,0,1]=3 773 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [1,0,0,0,0,0|2,0,1]=4 774 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [1,0,0,0,0,0|2,0,1]=4 775 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [1,0,0,0,0,0|2,0,1]=4 776 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [1,0,0,0,0,0|2,0,1]=4 777 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [1,0,0,0,0,0|2,0,1]=4 778 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [1,0,0,0,0,0|2,0,1]=4 779 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [1,0,0,0,0,0|2,0,1]=4 780 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [1,0,0,0,0,0|2,0,1]=4 781 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [1,0,0,0,0,0|2,0,1]=4 782 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [1,0,0,0,0,0|2,0,1]=4 783 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [1,0,0,0,0,0|2,0,1]=4 784 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [1,0,0,0,0,0|2,0,1]=4 785 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [1,0,0,0,0,0|2,0,1]=4 786 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [1,0,0,0,0,0|1,1,1]=4 787 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [1,0,0,0,0,0|1,1,1]=4 788 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [1,0,0,0,0,0|1,1,1]=4 789 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [1,0,0,0,0,0|1,1,1]=4 790 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [1,0,0,0,0,0|1,1,1]=4 791 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [1,0,0,0,0,0|1,1,1]=4 792 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [1,0,0,0,0,0|1,1,1]=4 793 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [1,0,0,0,0,0|1,1,1]=4 794 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [1,0,0,0,0,0|2,0,1]=4 795 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [1,0,0,0,0,0|2,0,1]=4 796 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [1,0,0,0,0,0|2,0,1]=4 797 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [1,0,0,0,0,0|2,0,1]=4 798 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,0,0,0,0,0|3,0,0]=4 799 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,0,0,0,0,0|3,0,0]=4 800 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,0,0,0,0,0|3,0,0]=4 801 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,0,0,0,0,0|3,0,0]=4 802 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,0,0,0,0,0|3,0,0]=4 803 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [1,0,0,0,0,0|2,0,0]=3 804 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [1,0,0,0,0,0|2,0,0]=3 805 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [1,0,0,0,0,0|2,0,0]=3 806 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,0,0,0,0,0|2,0,0]=3 807 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [1,0,0,0,0,0|2,1,0]=4 808 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,0,0,0,0,0|2,1,0]=4 809 B12R1.1631 C#CCNc1c(cccc1C)C 34a_100000185769_100000184674 [1,0,0,0,0,0|2,0,1]=4 810 B12R1.1631 C#CCOc1c(cccc1Br)C 34a_100009817157_100000184674 [1,0,0,0,0,0|2,0,1]=4 811 B12R1.1631 C#CCOc1c(cccc1Br)C 7a_100009817157_100000038162 [1,0,0,0,0,0|2,0,1]=4 812 B12R1.1631 C#CCOc1c(cccc1C)C 34a_100000210341_100000184674 [1,0,0,0,0,0|1,0,1]=3 813 B12R1.1631 C#CCOc1c(cccc1C)C 7a_100000210341_100000038162 [1,0,0,0,0,0|1,0,1]=3 814 B12R1.1631 C#CCOc1c(cccc1Cl)C 34a_100000033731_100000184674 [1,0,0,0,0,0|2,0,1]=4 815 B12R1.1631 C#CCOc1c(cccc1Cl)C 7a_100000033731_100000038162 [1,0,0,0,0,0|2,0,1]=4 816 B12R1.1631 C#CCOc1c(cccc1F)C 34a_100011659162_100000184674 [1,0,0,0,0,0|2,0,1]=4 817 B12R1.1631 C#CCOc1c(cccc1F)C 7a_100011659162_100000038162 [1,0,0,0,0,0|2,0,1]=4 818 B12R1.1631 C#CCOc1c(cccc1N)C 34a_100000756359_100000184674 [1,0,0,0,0,0|2,0,1]=4 819 B12R1.1631 C#CCOc1c(cccc1N)C 7a_100000756359_100000038162 [1,0,0,0,0,0|2,0,1]=4 820 B12R1.1631 C#CCOc1c(ccnc1C)C 34a_100011934651_100000184674 [1,0,0,0,0,0|2,0,1]=4 821 B12R1.1631 C#CCOc1c(ccnc1C)C 7a_100011934651_100000038162 [1,0,0,0,0,0|2,0,1]=4 822 B12R1.1631 C#CCSc1c(cccc1C)C 62a_100000038162_100000033847 [1,0,0,0,0,0|1,1,1]=4 823 B12R1.1631 C=CCNc1c(cccc1Br)C 34a_100011834072_100015514636 [1,0,0,0,0,0|3,0,0]=4 824 B12R1.1631 C=CCNc1c(cccc1C)C 34a_100000185769_100015514636 [1,0,0,0,0,0|2,0,0]=3 825 B12R1.1631 C=CCNc1c(cccc1Cl)C 34a_100000756524_100015514636 [1,0,0,0,0,0|3,0,0]=4 826 B12R1.1631 C=CCNc1c(cccc1F)C 34a_100000766463_100015514636 [1,0,0,0,0,0|3,0,0]=4 827 B12R1.1631 C=CCNc1c(cccc1O)C 34a_100000743429_100015514636 [1,0,0,0,0,0|3,0,0]=4 828 B12R1.1631 C=CCOc1c(cccc1Br)Br 34a_100000736428_100015514636 [1,0,0,0,0,0|3,0,0]=4 829 B12R1.1631 C=CCOc1c(cccc1Br)Br 7a_100000736428_100015514636 [1,0,0,0,0,0|3,0,0]=4 830 B12R1.1631 C=CCOc1c(cccc1Br)C 34a_100009817157_100015514636 [1,0,0,0,0,0|2,0,0]=3 831 B12R1.1631 C=CCOc1c(cccc1Br)C 7a_100009817157_100015514636 [1,0,0,0,0,0|2,0,0]=3 832 B12R1.1631 C=CCOc1c(cccc1Br)Cl 34a_100010214474_100015514636 [1,0,0,0,0,0|3,0,0]=4 833 B12R1.1631 C=CCOc1c(cccc1Br)Cl 7a_100010214474_100015514636 [1,0,0,0,0,0|3,0,0]=4 834 B12R1.1631 C=CCOc1c(cccc1Br)F 34a_100009813666_100015514636 [1,0,0,0,0,0|3,0,0]=4 835 B12R1.1631 C=CCOc1c(cccc1Br)F 7a_100009813666_100015514636 [1,0,0,0,0,0|3,0,0]=4 836 B12R1.1631 C=CCOc1c(cccc1Br)N 34a_100011934915_100015514636 [1,0,0,0,0,0|3,0,0]=4 837 B12R1.1631 C=CCOc1c(cccc1C)C 34a_100000210341_100015514636 [1,0,0,0,0,0|1,0,0]=2 838 B12R1.1631 C=CCOc1c(cccc1C)C 7a_100000210341_100015514636 [1,0,0,0,0,0|1,0,0]=2 839 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [1,0,0,0,0,0|2,0,0]=3 840 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [1,0,0,0,0,0|2,0,0]=3 841 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 34a_100000211709_100015514636 [1,0,0,0,0,0|3,0,0]=4 842 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 7a_100000211709_100015514636 [1,0,0,0,0,0|3,0,0]=4 843 B12R1.1631 C=CCOc1c(cccc1Cl)F 34a_100000694953_100015514636 [1,0,0,0,0,0|3,0,0]=4 844 B12R1.1631 C=CCOc1c(cccc1Cl)F 7a_100000694953_100015514636 [1,0,0,0,0,0|3,0,0]=4 845 B12R1.1631 C=CCOc1c(cccc1Cl)N 34a_100000754742_100015514636 [1,0,0,0,0,0|3,0,0]=4 846 B12R1.1631 C=CCOc1c(cccc1F)C 34a_100011659162_100015514636 [1,0,0,0,0,0|2,0,0]=3 847 B12R1.1631 C=CCOc1c(cccc1F)C 7a_100011659162_100015514636 [1,0,0,0,0,0|2,0,0]=3 848 B12R1.1631 C=CCOc1c(cccc1F)F 34a_100000230165_100015514636 [1,0,0,0,0,0|3,0,0]=4 849 B12R1.1631 C=CCOc1c(cccc1F)F 7a_100000230165_100015514636 [1,0,0,0,0,0|3,0,0]=4 850 B12R1.1631 C=CCOc1c(cccc1F)N 34a_100011934987_100015514636 [1,0,0,0,0,0|3,0,0]=4 851 B12R1.1631 C=CCOc1c(cccc1I)Br 34a_100010084509_100015514636 [1,0,0,0,0,0|3,0,0]=4 852 B12R1.1631 C=CCOc1c(cccc1I)Br 7a_100010084509_100015514636 [1,0,0,0,0,0|3,0,0]=4 853 B12R1.1631 C=CCOc1c(cccc1I)Cl 34a_100010202889_100015514636 [1,0,0,0,0,0|3,0,0]=4 854 B12R1.1631 C=CCOc1c(cccc1I)Cl 7a_100010202889_100015514636 [1,0,0,0,0,0|3,0,0]=4 855 B12R1.1631 C=CCOc1c(cccc1I)F 34a_100010186298_100015514636 [1,0,0,0,0,0|3,0,0]=4 856 B12R1.1631 C=CCOc1c(cccc1I)F 7a_100010186298_100015514636 [1,0,0,0,0,0|3,0,0]=4 857 B12R1.1631 C=CCOc1c(cccc1I)N 34a_100010084371_100015514636 [1,0,0,0,0,0|3,0,0]=4 858 B12R1.1631 C=CCOc1c(cccc1N)C 34a_100000756359_100015514636 [1,0,0,0,0,0|2,0,0]=3 859 B12R1.1631 C=CCOc1c(cccc1N)C 7a_100000756359_100015514636 [1,0,0,0,0,0|2,0,0]=3 860 B12R1.1631 C=CCOc1c(cccc1N)N 34a_200016994477_100015514636 [1,0,0,0,0,0|3,0,0]=4 861 B12R1.1631 C=CCOc1c(ccnc1C)C 34a_100011934651_100015514636 [1,0,0,0,0,0|2,0,0]=3 862 B12R1.1631 C=CCOc1c(ccnc1C)C 7a_100011934651_100015514636 [1,0,0,0,0,0|2,0,0]=3 863 B12R1.1631 C=CCOc1c(ccnc1Cl)C 34a_100000696282_100015514636 [1,0,0,0,0,0|3,0,0]=4 864 B12R1.1631 C=CCOc1c(ccnc1Cl)C 7a_100000696282_100015514636 [1,0,0,0,0,0|3,0,0]=4 865 B12R1.1631 C=CCOc1c(ncnc1C)C 34a_100009878406_100015514636 [1,0,0,0,0,0|3,0,0]=4 866 B12R1.1631 C=CCOc1c(ncnc1C)C 7a_100009878406_100015514636 [1,0,0,0,0,0|3,0,0]=4 867 B12R1.1631 C=CCOc1c(occc1=O)C 34a_100000031901_100015514636 [1,0,0,0,0,0|3,0,0]=4 868 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100000210623_100010141302 [1,0,0,0,0,0|2,1,0]=4 869 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100010141302_100000210623 [1,0,0,0,0,0|2,1,0]=4 870 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000033847_100000210623 [1,0,0,0,0,0|1,1,0]=3 871 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000210623_100000033847 [1,0,0,0,0,0|1,1,0]=3 872 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000043165_100000210623 [1,0,0,0,0,0|2,1,0]=4 873 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000210623_100000043165 [1,0,0,0,0,0|2,1,0]=4 874 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100000210623_100011218421 [1,0,0,0,0,0|2,1,0]=4 875 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100011218421_100000210623 [1,0,0,0,0,0|2,1,0]=4 876 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000210623_100000684715 [1,0,0,0,0,0|2,1,0]=4 877 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000684715_100000210623 [1,0,0,0,0,0|2,1,0]=4 878 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000210623_100000686692 [1,0,0,0,0,0|2,1,0]=4 879 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000686692_100000210623 [1,0,0,0,0,0|2,1,0]=4 880 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100000210623_100012000501 [1,0,0,0,0,0|2,1,0]=4 881 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100012000501_100000210623 [1,0,0,0,0,0|2,1,0]=4 882 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100000210623_100009817138 [1,0,0,0,0,0|2,1,0]=4 883 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100009817138_100000210623 [1,0,0,0,0,0|2,1,0]=4 884 B12R1.1631 CC=NNc1c(cccc1C)C 4a_100016987787_200000210099 [1,0,0,0,0,0|3,0,0]=4 885 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [1,0,0,0,0,0|2,0,1]=4 886 B12R1.1631 CCCNc1c(cccc1C)C 34a_100000185769_100000210303 [1,0,0,0,0,0|2,0,1]=4 887 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [1,0,0,0,0,0|2,0,1]=4 888 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [1,0,0,0,0,0|2,0,1]=4 889 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [1,0,0,0,0,0|1,0,1]=3 890 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [1,0,0,0,0,0|1,0,1]=3 891 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [1,0,0,0,0,0|2,0,1]=4 892 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [1,0,0,0,0,0|2,0,1]=4 893 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [1,0,0,0,0,0|2,0,1]=4 894 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [1,0,0,0,0,0|2,0,1]=4 895 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [1,0,0,0,0,0|2,0,1]=4 896 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [1,0,0,0,0,0|2,0,1]=4 897 B12R1.1631 CCCOc1c(ccnc1C)C 34a_100011934651_100000210303 [1,0,0,0,0,0|2,0,1]=4 898 B12R1.1631 CCCOc1c(ccnc1C)C 7a_100011934651_100000210303 [1,0,0,0,0,0|2,0,1]=4 899 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000033847_100000210303 [1,0,0,0,0,0|1,1,1]=4 900 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000210303_100000033847 [1,0,0,0,0,0|1,1,1]=4 901 B12R1.1631 COCSc1c(cccc1C)C 62a_100000033847_100000766300 [1,0,0,0,0,0|2,1,0]=4 902 B12R1.1631 COCSc1c(cccc1C)C 62a_100000766300_100000033847 [1,0,0,0,0,0|2,1,0]=4 903 B12R1.1631 CSCNc1c(cccc1C)C 34a_100000185769_100011218213 [1,0,0,0,0,0|3,0,0]=4 904 B12R1.1631 CSCOc1c(cccc1Br)C 34a_100009817157_100011218213 [1,0,0,0,0,0|3,0,0]=4 905 B12R1.1631 CSCOc1c(cccc1C)C 34a_100000210341_100011218213 [1,0,0,0,0,0|2,0,0]=3 906 B12R1.1631 CSCOc1c(cccc1Cl)C 34a_100000033731_100011218213 [1,0,0,0,0,0|3,0,0]=4 907 B12R1.1631 CSCOc1c(cccc1F)C 34a_100011659162_100011218213 [1,0,0,0,0,0|3,0,0]=4 908 B12R1.1631 CSCOc1c(cccc1N)C 34a_100000756359_100011218213 [1,0,0,0,0,0|3,0,0]=4 909 B12R1.1631 CSCOc1c(ccnc1C)C 34a_100011934651_100011218213 [1,0,0,0,0,0|3,0,0]=4 910 B12R1.1631 CSCSc1c(cccc1C)C 62a_100000033847_100011218213 [1,0,0,0,0,0|2,1,0]=4 911 B12R1.1631 CSCSc1c(cccc1C)C 62a_100011218213_100000033847 [1,0,0,0,0,0|2,1,0]=4 912 B12R1.1631 Cc1ccc[n+](c1SCC=O)[O-] 62a_200015260668_100116209805 [1,0,0,0,0,0|2,1,0]=4 913 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [1,0,0,0,0,0|2,0,0]=3 914 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [1,0,0,0,0,0|1,0,0]=2 915 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [1,0,0,0,0,0|2,0,0]=3 916 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [1,0,0,0,0,0|2,0,0]=3 917 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [1,0,0,0,0,0|2,0,0]=3 918 B12R1.1631 Cc1cccc(c1NCCF)C 34a_100000185769_100011217306 [1,0,0,0,0,0|2,0,1]=4 919 B12R1.1631 Cc1cccc(c1NCCO)Br 34a_100011834072_100000211926 [1,0,0,0,0,0|2,0,1]=4 920 B12R1.1631 Cc1cccc(c1NCCO)C 34a_100000185769_100000211926 [1,0,0,0,0,0|1,0,1]=3 921 B12R1.1631 Cc1cccc(c1NCCO)Cl 34a_100000756524_100000211926 [1,0,0,0,0,0|2,0,1]=4 922 B12R1.1631 Cc1cccc(c1NCCO)F 34a_100000766463_100000211926 [1,0,0,0,0,0|2,0,1]=4 923 B12R1.1631 Cc1cccc(c1NCCO)O 34a_100000743429_100000211926 [1,0,0,0,0,0|2,0,1]=4 924 B12R1.1631 Cc1cccc(c1OCC#N)Br 7a_100009817157_100011215382 [1,0,0,0,0,0|2,0,1]=4 925 B12R1.1631 Cc1cccc(c1OCC#N)C 7a_100000210341_100011215382 [1,0,0,0,0,0|1,0,1]=3 926 B12R1.1631 Cc1cccc(c1OCC#N)Cl 7a_100000033731_100011215382 [1,0,0,0,0,0|2,0,1]=4 927 B12R1.1631 Cc1cccc(c1OCC#N)F 7a_100011659162_100011215382 [1,0,0,0,0,0|2,0,1]=4 928 B12R1.1631 Cc1cccc(c1OCC#N)N 7a_100000756359_100011215382 [1,0,0,0,0,0|2,0,1]=4 929 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [1,0,0,0,0,0|1,0,0]=2 930 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [1,0,0,0,0,0|1,0,0]=2 931 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [1,0,0,0,0,0|0,0,0]=1 932 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [1,0,0,0,0,0|0,0,0]=1 933 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [1,0,0,0,0,0|1,0,0]=2 934 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [1,0,0,0,0,0|1,0,0]=2 935 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [1,0,0,0,0,0|1,0,0]=2 936 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [1,0,0,0,0,0|1,0,0]=2 937 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [1,0,0,0,0,0|1,0,0]=2 938 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [1,0,0,0,0,0|1,0,0]=2 939 B12R1.1631 Cc1cccc(c1OCCF)Br 34a_100009817157_100011217306 [1,0,0,0,0,0|2,0,1]=4 940 B12R1.1631 Cc1cccc(c1OCCF)Br 7a_100009817157_100011217306 [1,0,0,0,0,0|2,0,1]=4 941 B12R1.1631 Cc1cccc(c1OCCF)C 34a_100000210341_100011217306 [1,0,0,0,0,0|1,0,1]=3 942 B12R1.1631 Cc1cccc(c1OCCF)C 7a_100000210341_100011217306 [1,0,0,0,0,0|1,0,1]=3 943 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [1,0,0,0,0,0|2,0,1]=4 944 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [1,0,0,0,0,0|2,0,1]=4 945 B12R1.1631 Cc1cccc(c1OCCF)F 34a_100011659162_100011217306 [1,0,0,0,0,0|2,0,1]=4 946 B12R1.1631 Cc1cccc(c1OCCF)F 7a_100011659162_100011217306 [1,0,0,0,0,0|2,0,1]=4 947 B12R1.1631 Cc1cccc(c1OCCF)N 34a_100000756359_100011217306 [1,0,0,0,0,0|2,0,1]=4 948 B12R1.1631 Cc1cccc(c1OCCF)N 7a_100000756359_100011217306 [1,0,0,0,0,0|2,0,1]=4 949 B12R1.1631 Cc1cccc(c1OCCO)Br 34a_100009817157_100000211926 [1,0,0,0,0,0|1,0,1]=3 950 B12R1.1631 Cc1cccc(c1OCCO)Br 7a_100009817157_100000211926 [1,0,0,0,0,0|1,0,1]=3 951 B12R1.1631 Cc1cccc(c1OCCO)C 34a_100000210341_100000211926 [1,0,0,0,0,0|0,0,1]=2 952 B12R1.1631 Cc1cccc(c1OCCO)C 7a_100000210341_100000211926 [1,0,0,0,0,0|0,0,1]=2 953 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [1,0,0,0,0,0|1,0,1]=3 954 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [1,0,0,0,0,0|1,0,1]=3 955 B12R1.1631 Cc1cccc(c1OCCO)F 34a_100011659162_100000211926 [1,0,0,0,0,0|1,0,1]=3 956 B12R1.1631 Cc1cccc(c1OCCO)F 7a_100011659162_100000211926 [1,0,0,0,0,0|1,0,1]=3 957 B12R1.1631 Cc1cccc(c1OCCO)N 34a_100000756359_100000211926 [1,0,0,0,0,0|1,0,1]=3 958 B12R1.1631 Cc1cccc(c1OCCO)N 7a_100000756359_100000211926 [1,0,0,0,0,0|1,0,1]=3 959 B12R1.1631 Cc1cccc(c1SCC#N)C 62a_100000033847_100011215382 [1,0,0,0,0,0|1,1,1]=4 960 B12R1.1631 Cc1cccc(c1SCC#N)C 62a_100011215382_100000033847 [1,0,0,0,0,0|1,1,1]=4 961 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [1,0,0,0,0,0|1,1,0]=3 962 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [1,0,0,0,0,0|1,1,0]=3 963 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [1,0,0,0,0,0|0,1,0]=2 964 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [1,0,0,0,0,0|0,1,0]=2 965 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [1,0,0,0,0,0|1,1,0]=3 966 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [1,0,0,0,0,0|1,1,0]=3 967 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [1,0,0,0,0,0|1,1,0]=3 968 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [1,0,0,0,0,0|1,1,0]=3 969 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [1,0,0,0,0,0|1,1,0]=3 970 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [1,0,0,0,0,0|1,1,0]=3 971 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [1,0,0,0,0,0|1,1,0]=3 972 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [1,0,0,0,0,0|1,1,0]=3 973 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100000033847_100011217306 [1,0,0,0,0,0|1,1,1]=4 974 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100011217306_100000033847 [1,0,0,0,0,0|1,1,1]=4 975 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100000211926_100010141302 [1,0,0,0,0,0|1,1,1]=4 976 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100010141302_100000211926 [1,0,0,0,0,0|1,1,1]=4 977 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000033847_100000211926 [1,0,0,0,0,0|0,1,1]=3 978 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000211926_100000033847 [1,0,0,0,0,0|0,1,1]=3 979 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000043165_100000211926 [1,0,0,0,0,0|1,1,1]=4 980 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000211926_100000043165 [1,0,0,0,0,0|1,1,1]=4 981 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100000211926_100011218421 [1,0,0,0,0,0|1,1,1]=4 982 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100011218421_100000211926 [1,0,0,0,0,0|1,1,1]=4 983 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000211926_100000684715 [1,0,0,0,0,0|1,1,1]=4 984 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000684715_100000211926 [1,0,0,0,0,0|1,1,1]=4 985 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000211926_100000686692 [1,0,0,0,0,0|1,1,1]=4 986 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000686692_100000211926 [1,0,0,0,0,0|1,1,1]=4 987 B12R1.1631 Cc1ccnc(c1OCC#N)C 7a_100011934651_100011215382 [1,0,0,0,0,0|2,0,1]=4 988 B12R1.1631 Cc1ccnc(c1OCC=O)C 34a_100011934651_200009817547 [1,0,0,0,0,0|1,0,0]=2 989 B12R1.1631 Cc1ccnc(c1OCC=O)C 7a_100011934651_200015260668 [1,0,0,0,0,0|1,0,0]=2 990 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 34a_100000696282_200009817547 [1,0,0,0,0,0|2,0,0]=3 991 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 7a_100000696282_200015260668 [1,0,0,0,0,0|2,0,0]=3 992 B12R1.1631 Cc1ccnc(c1OCCF)C 34a_100011934651_100011217306 [1,0,0,0,0,0|2,0,1]=4 993 B12R1.1631 Cc1ccnc(c1OCCF)C 7a_100011934651_100011217306 [1,0,0,0,0,0|2,0,1]=4 994 B12R1.1631 Cc1ccnc(c1OCCO)C 34a_100011934651_100000211926 [1,0,0,0,0,0|1,0,1]=3 995 B12R1.1631 Cc1ccnc(c1OCCO)C 7a_100011934651_100000211926 [1,0,0,0,0,0|1,0,1]=3 996 B12R1.1631 Cc1ccnc(c1OCCO)Cl 34a_100000696282_100000211926 [1,0,0,0,0,0|2,0,1]=4 997 B12R1.1631 Cc1ccnc(c1OCCO)Cl 7a_100000696282_100000211926 [1,0,0,0,0,0|2,0,1]=4 998 B12R1.1631 Cc1ccnc(c1SCC=O)C 62a_100012000501_200015260668 [1,0,0,0,0,0|1,1,0]=3 999 B12R1.1631 Cc1ccnc(c1SCC=O)C 62a_200015260668_100012000501 [1,0,0,0,0,0|1,1,0]=3 1000 B12R1.1631 Cc1ccnc(c1SCC=O)Cl 62a_100010248874_200015260668 [1,0,0,0,0,0|2,1,0]=4 1001 B12R1.1631 Cc1ccnc(c1SCC=O)Cl 62a_200015260668_100010248874 [1,0,0,0,0,0|2,1,0]=4 1002 B12R1.1631 Cc1ccnc(c1SCC=O)F 62a_100009818256_200015260668 [1,0,0,0,0,0|2,1,0]=4 1003 B12R1.1631 Cc1ccnc(c1SCC=O)F 62a_200015260668_100009818256 [1,0,0,0,0,0|2,1,0]=4 1004 B12R1.1631 Cc1ccnc(c1SCC=O)N 62a_100011998619_200015260668 [1,0,0,0,0,0|2,1,0]=4 1005 B12R1.1631 Cc1ccnc(c1SCC=O)N 62a_200015260668_100011998619 [1,0,0,0,0,0|2,1,0]=4 1006 B12R1.1631 Cc1ccnc(c1SCC=O)O 62a_100012000493_200015260668 [1,0,0,0,0,0|2,1,0]=4 1007 B12R1.1631 Cc1ccnc(c1SCC=O)O 62a_200015260668_100012000493 [1,0,0,0,0,0|2,1,0]=4 1008 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100000211926_100012000501 [1,0,0,0,0,0|1,1,1]=4 1009 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100012000501_100000211926 [1,0,0,0,0,0|1,1,1]=4 1010 B12R1.1631 Cc1cncc(c1SCC=O)C 62a_100009817138_200015260668 [1,0,0,0,0,0|1,1,0]=3 1011 B12R1.1631 Cc1cncc(c1SCC=O)C 62a_200015260668_100009817138 [1,0,0,0,0,0|1,1,0]=3 1012 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100000211926_100009817138 [1,0,0,0,0,0|1,1,1]=4 1013 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100009817138_100000211926 [1,0,0,0,0,0|1,1,1]=4 1014 B12R1.1631 Cc1nccc(c1SCC=O)N 62a_100010243816_200015260668 [1,0,0,0,0,0|2,1,0]=4 1015 B12R1.1631 Cc1nccc(c1SCC=O)N 62a_200015260668_100010243816 [1,0,0,0,0,0|2,1,0]=4 1016 B12R1.1631 Cc1ncnc(c1OCC=O)C 34a_100009878406_200009817547 [1,0,0,0,0,0|2,0,0]=3 1017 B12R1.1631 Cc1ncnc(c1OCC=O)C 7a_100009878406_200015260668 [1,0,0,0,0,0|2,0,0]=3 1018 B12R1.1631 Cc1ncnc(c1OCCO)C 34a_100009878406_100000211926 [1,0,0,0,0,0|2,0,1]=4 1019 B12R1.1631 Cc1ncnc(c1OCCO)C 7a_100009878406_100000211926 [1,0,0,0,0,0|2,0,1]=4 1020 B12R1.1631 Cc1ncnc(c1SCC=O)C 62a_100009820708_200015260668 [1,0,0,0,0,0|2,1,0]=4 1021 B12R1.1631 Cc1ncnc(c1SCC=O)C 62a_200015260668_100009820708 [1,0,0,0,0,0|2,1,0]=4 1022 B12R1.1631 Cc1occc(=O)c1OCC=O 34a_100000031901_200009817547 [1,0,0,0,0,0|2,0,0]=3 1023 B12R1.1631 Cc1occc(=O)c1OCCO 34a_100000031901_100000211926 [1,0,0,0,0,0|2,0,1]=4 1024 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [1,0,0,0,0,0|2,0,0]=3 1025 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [1,0,0,0,0,0|2,0,0]=3 1026 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [1,0,0,0,0,0|2,0,0]=3 1027 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [1,0,0,0,0,0|2,0,0]=3 1028 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [1,0,0,0,0,0|2,0,0]=3 1029 B12R1.1631 Nc1cccc(c1OCCO)Br 34a_100011934915_100000211926 [1,0,0,0,0,0|2,0,1]=4 1030 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [1,0,0,0,0,0|2,0,1]=4 1031 B12R1.1631 Nc1cccc(c1OCCO)F 34a_100011934987_100000211926 [1,0,0,0,0,0|2,0,1]=4 1032 B12R1.1631 Nc1cccc(c1OCCO)I 34a_100010084371_100000211926 [1,0,0,0,0,0|2,0,1]=4 1033 B12R1.1631 Nc1cccc(c1OCCO)N 34a_200016994477_100000211926 [1,0,0,0,0,0|2,0,1]=4 1034 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_100020590159_200015260668 [1,0,0,0,0,0|2,1,0]=4 1035 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_200015260668_100020590159 [1,0,0,0,0,0|2,1,0]=4 1036 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [1,0,0,0,0,0|2,1,0]=4 1037 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [1,0,0,0,0,0|2,1,0]=4 1038 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_100000690935_200015260668 [1,0,0,0,0,0|2,1,0]=4 1039 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_200015260668_100000690935 [1,0,0,0,0,0|2,1,0]=4 1040 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [1,0,0,0,0,0|2,1,0]=4 1041 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [1,0,0,0,0,0|2,1,0]=4 1042 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 34a_100009844647_200009817547 [1,0,0,0,0,0|3,0,0]=4 1043 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 7a_100009844647_200015260668 [1,0,0,0,0,0|3,0,0]=4 1044 B12R1.1631 O=CCNc1c(cccc1Br)Br 34a_100000690995_200009817547 [1,0,0,0,0,0|3,0,0]=4 1045 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [1,0,0,0,0,0|3,0,0]=4 1046 B12R1.1631 O=CCNc1c(cccc1Br)F 34a_100000684712_200009817547 [1,0,0,0,0,0|3,0,0]=4 1047 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [1,0,0,0,0,0|3,0,0]=4 1048 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [1,0,0,0,0,0|3,0,0]=4 1049 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [1,0,0,0,0,0|3,0,0]=4 1050 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [1,0,0,0,0,0|3,0,0]=4 1051 B12R1.1631 O=CCNc1c(cccc1F)F 2230a_100000210704_200015260668 [1,0,0,0,0,0|3,0,0]=4 1052 B12R1.1631 O=CCNc1c(cccc1F)F 34a_100000210704_200009817547 [1,0,0,0,0,0|3,0,0]=4 1053 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [1,0,0,0,0,0|3,0,0]=4 1054 B12R1.1631 O=CCNc1c(cccc1I)F 34a_100000042321_200009817547 [1,0,0,0,0,0|3,0,0]=4 1055 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [1,0,0,0,0,0|2,0,0]=3 1056 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [1,0,0,0,0,0|2,0,0]=3 1057 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [1,0,0,0,0,0|2,0,0]=3 1058 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [1,0,0,0,0,0|2,0,0]=3 1059 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [1,0,0,0,0,0|2,0,0]=3 1060 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [1,0,0,0,0,0|2,0,0]=3 1061 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [1,0,0,0,0,0|2,0,0]=3 1062 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [1,0,0,0,0,0|2,0,0]=3 1063 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [1,0,0,0,0,0|2,0,0]=3 1064 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [1,0,0,0,0,0|2,0,0]=3 1065 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [1,0,0,0,0,0|2,0,0]=3 1066 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [1,0,0,0,0,0|2,0,0]=3 1067 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [1,0,0,0,0,0|2,0,0]=3 1068 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [1,0,0,0,0,0|2,0,0]=3 1069 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [1,0,0,0,0,0|2,0,0]=3 1070 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [1,0,0,0,0,0|2,0,0]=3 1071 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [1,0,0,0,0,0|2,0,0]=3 1072 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [1,0,0,0,0,0|2,0,0]=3 1073 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 34a_100000118450_200009817547 [1,0,0,0,0,0|3,0,0]=4 1074 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 7a_100000118450_200015260668 [1,0,0,0,0,0|3,0,0]=4 1075 B12R1.1631 O=CCOc1c(ccnc1Cl)F 34a_100009867227_200009817547 [1,0,0,0,0,0|3,0,0]=4 1076 B12R1.1631 O=CCOc1c(ccnc1Cl)F 7a_100009867227_200015260668 [1,0,0,0,0,0|3,0,0]=4 1077 B12R1.1631 O=CCOc1c(ccnc1Cl)I 34a_100010067911_200009817547 [1,0,0,0,0,0|3,0,0]=4 1078 B12R1.1631 O=CCOc1c(ccnc1Cl)I 7a_100010067911_200015260668 [1,0,0,0,0,0|3,0,0]=4 1079 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_100009994525_200015260668 [1,0,0,0,0,0|2,1,0]=4 1080 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_200015260668_100009994525 [1,0,0,0,0,0|2,1,0]=4 1081 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [1,0,0,0,0,0|2,1,0]=4 1082 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [1,0,0,0,0,0|2,1,0]=4 1083 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_100011219512_200015260668 [1,0,0,0,0,0|2,1,0]=4 1084 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_200015260668_100011219512 [1,0,0,0,0,0|2,1,0]=4 1085 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [1,0,0,0,0,0|2,1,0]=4 1086 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [1,0,0,0,0,0|2,1,0]=4 1087 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [1,0,0,0,0,0|2,1,0]=4 1088 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [1,0,0,0,0,0|2,1,0]=4 1089 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [1,0,0,0,0,0|2,1,0]=4 1090 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [1,0,0,0,0,0|2,1,0]=4 1091 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [1,0,0,0,0,0|2,1,0]=4 1092 B12R1.1631 O=CCSc1c(cccc1F)F 62a_100000693133_200015260668 [1,0,0,0,0,0|2,1,0]=4 1093 B12R1.1631 O=CCSc1c(cccc1F)F 62a_200015260668_100000693133 [1,0,0,0,0,0|2,1,0]=4 1094 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [1,0,0,0,0,0|2,1,0]=4 1095 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [1,0,0,0,0,0|2,1,0]=4 1096 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [1,0,0,0,0,0|2,1,0]=4 1097 B12R1.1631 OCCOc1c(cccc1Br)Br 34a_100000736428_100000211926 [1,0,0,0,0,0|2,0,1]=4 1098 B12R1.1631 OCCOc1c(cccc1Br)Br 7a_100000736428_100000211926 [1,0,0,0,0,0|2,0,1]=4 1099 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [1,0,0,0,0,0|2,0,1]=4 1100 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [1,0,0,0,0,0|2,0,1]=4 1101 B12R1.1631 OCCOc1c(cccc1Br)F 34a_100009813666_100000211926 [1,0,0,0,0,0|2,0,1]=4 1102 B12R1.1631 OCCOc1c(cccc1Br)F 7a_100009813666_100000211926 [1,0,0,0,0,0|2,0,1]=4 1103 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [1,0,0,0,0,0|2,0,1]=4 1104 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [1,0,0,0,0,0|2,0,1]=4 1105 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [1,0,0,0,0,0|2,0,1]=4 1106 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [1,0,0,0,0,0|2,0,1]=4 1107 B12R1.1631 OCCOc1c(cccc1F)F 34a_100000230165_100000211926 [1,0,0,0,0,0|2,0,1]=4 1108 B12R1.1631 OCCOc1c(cccc1F)F 7a_100000230165_100000211926 [1,0,0,0,0,0|2,0,1]=4 1109 B12R1.1631 OCCOc1c(cccc1I)Br 34a_100010084509_100000211926 [1,0,0,0,0,0|2,0,1]=4 1110 B12R1.1631 OCCOc1c(cccc1I)Br 7a_100010084509_100000211926 [1,0,0,0,0,0|2,0,1]=4 1111 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [1,0,0,0,0,0|2,0,1]=4 1112 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [1,0,0,0,0,0|2,0,1]=4 1113 B12R1.1631 OCCOc1c(cccc1I)F 34a_100010186298_100000211926 [1,0,0,0,0,0|2,0,1]=4 1114 B12R1.1631 OCCOc1c(cccc1I)F 7a_100010186298_100000211926 [1,0,0,0,0,0|2,0,1]=4 1115 B14R1.2172 C=C(C)CNc1c(cccc1CC)C 2230a_100000210048_100000748629 [0,1,0,0,0,0|3,0,0]=4 1116 B14R1.2172 C=C(C)CNc1c(cccc1CC)C 34a_100000210048_100000748629 [0,1,0,0,0,0|3,0,0]=4 1117 B14R1.2172 C=C(C)CNc1c(cccc1CC)C 7a_100000210048_100000748629 [0,1,0,0,0,0|3,0,0]=4 1118 B14R1.2172 C=C(C)CNc1c(cccc1CO)C 34a_100011215590_100000748629 [0,1,0,0,0,0|3,0,0]=4 1119 B14R1.2172 C=C(C)CNc1c(cccc1OC)C 2230a_100000758225_100000748629 [0,1,0,0,0,0|3,0,0]=4 1120 B14R1.2172 C=C(C)CNc1c(cccc1OC)C 34a_100000758225_100000748629 [0,1,0,0,0,0|3,0,0]=4 1121 B14R1.2172 C=C(C)COc1c(cccc1C#N)C 34a_100011659161_100000748629 [0,1,0,0,0,0|2,0,1]=4 1122 B14R1.2172 C=C(C)COc1c(cccc1C#N)C 7a_100011659161_100000748629 [0,1,0,0,0,0|2,0,1]=4 1123 B14R1.2172 C=C(C)COc1c(cccc1CC)Br 34a_200010001580_100000748629 [0,1,0,0,0,0|3,0,0]=4 1124 B14R1.2172 C=C(C)COc1c(cccc1CC)Br 7a_200010001580_100000748629 [0,1,0,0,0,0|3,0,0]=4 1125 B14R1.2172 C=C(C)COc1c(cccc1CC)C 34a_100000034007_100000748629 [0,1,0,0,0,0|2,0,0]=3 1126 B14R1.2172 C=C(C)COc1c(cccc1CC)C 7a_100000034007_100000748629 [0,1,0,0,0,0|2,0,0]=3 1127 B14R1.2172 C=C(C)COc1c(cccc1CN)C 34a_100020639391_100000748629 [0,1,0,0,0,0|2,0,0]=3 1128 B14R1.2172 C=C(C)COc1c(cccc1CO)F 34a_100011997349_100000748629 [0,1,0,0,0,0|3,0,0]=4 1129 B14R1.2172 C=C(C)COc1c(cccc1CO)F 7a_100011997349_100000748629 [0,1,0,0,0,0|3,0,0]=4 1130 B14R1.2172 C=C(C)COc1c(cccc1OC)Br 34a_100000686866_100000748629 [0,1,0,0,0,0|3,0,0]=4 1131 B14R1.2172 C=C(C)COc1c(cccc1OC)C 34a_100011219253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1132 B14R1.2172 C=C(C)COc1c(cccc1OC)C 7a_100011219253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1133 B14R1.2172 C=C(C)COc1c(cccc1OC)Cl 34a_100009851661_100000748629 [0,1,0,0,0,0|3,0,0]=4 1134 B14R1.2172 C=C(C)COc1c(cccc1OC)Cl 7a_100009851661_100000748629 [0,1,0,0,0,0|3,0,0]=4 1135 B14R1.2172 C=C(C)COc1c(cccc1OC)F 34a_100000036725_100000748629 [0,1,0,0,0,0|3,0,0]=4 1136 B14R1.2172 C=C(C)COc1c(cccc1OC)F 7a_100000036725_100000748629 [0,1,0,0,0,0|3,0,0]=4 1137 B14R1.2172 C=C(C)COc1c(cccc1OC)N 34a_100000123586_100000748629 [0,1,0,0,0,0|3,0,0]=4 1138 B14R1.2172 C=C(C)CSc1c(cccc1CC)C 62a_100000036235_100000211660 [0,1,0,0,0,0|2,1,0]=4 1139 B14R1.2172 C=C(C)CSc1c(cccc1CC)C 62a_100000748629_100000036235 [0,1,0,0,0,0|2,1,0]=4 1140 B14R1.2172 C=C(C)CSc1c(cccc1CO)C 62a_100000748629_100011659289 [0,1,0,0,0,0|2,1,0]=4 1141 B14R1.2172 C=C(C)CSc1c(cccc1CO)C 62a_100011659289_100000211660 [0,1,0,0,0,0|2,1,0]=4 1142 B14R1.2172 C=C(C)CSc1c(cccc1OC)C 62a_100000748629_100010191535 [0,1,0,0,0,0|2,1,0]=4 1143 B14R1.2172 C=C(C)CSc1c(cccc1OC)C 62a_100010191535_100000211660 [0,1,0,0,0,0|2,1,0]=4 1144 B14R1.2172 C=C(F)CNc1c(cccc1CC)C 2230a_100000210048_100009893438 [0,1,0,0,0,0|3,0,0]=4 1145 B14R1.2172 C=C(F)CNc1c(cccc1CC)C 34a_100000210048_100009893438 [0,1,0,0,0,0|3,0,0]=4 1146 B14R1.2172 C=C(F)CNc1c(cccc1CC)C 7a_100000210048_100000042424 [0,1,0,0,0,0|3,0,0]=4 1147 B14R1.2172 C=C(F)CNc1c(cccc1CO)C 34a_100011215590_100009893438 [0,1,0,0,0,0|3,0,0]=4 1148 B14R1.2172 C=C(F)CNc1c(cccc1OC)C 2230a_100000758225_100009893438 [0,1,0,0,0,0|3,0,0]=4 1149 B14R1.2172 C=C(F)CNc1c(cccc1OC)C 34a_100000758225_100009893438 [0,1,0,0,0,0|3,0,0]=4 1150 B14R1.2172 C=C(F)COc1c(cccc1C#N)C 34a_100011659161_100009893438 [0,1,0,0,0,0|2,0,1]=4 1151 B14R1.2172 C=C(F)COc1c(cccc1C#N)C 7a_100011659161_100000042424 [0,1,0,0,0,0|2,0,1]=4 1152 B14R1.2172 C=C(F)COc1c(cccc1CC)Br 34a_200010001580_100009893438 [0,1,0,0,0,0|3,0,0]=4 1153 B14R1.2172 C=C(F)COc1c(cccc1CC)Br 7a_200010001580_100000042424 [0,1,0,0,0,0|3,0,0]=4 1154 B14R1.2172 C=C(F)COc1c(cccc1CC)C 34a_100000034007_100009893438 [0,1,0,0,0,0|2,0,0]=3 1155 B14R1.2172 C=C(F)COc1c(cccc1CC)C 7a_100000034007_100000042424 [0,1,0,0,0,0|2,0,0]=3 1156 B14R1.2172 C=C(F)COc1c(cccc1CN)C 34a_100020639391_100009893438 [0,1,0,0,0,0|2,0,0]=3 1157 B14R1.2172 C=C(F)COc1c(cccc1CO)F 34a_100011997349_100009893438 [0,1,0,0,0,0|3,0,0]=4 1158 B14R1.2172 C=C(F)COc1c(cccc1CO)F 7a_100011997349_100000042424 [0,1,0,0,0,0|3,0,0]=4 1159 B14R1.2172 C=C(F)COc1c(cccc1OC)Br 34a_100000686866_100009893438 [0,1,0,0,0,0|3,0,0]=4 1160 B14R1.2172 C=C(F)COc1c(cccc1OC)C 34a_100011219253_100009893438 [0,1,0,0,0,0|2,0,0]=3 1161 B14R1.2172 C=C(F)COc1c(cccc1OC)C 7a_100011219253_100000042424 [0,1,0,0,0,0|2,0,0]=3 1162 B14R1.2172 C=C(F)COc1c(cccc1OC)Cl 34a_100009851661_100009893438 [0,1,0,0,0,0|3,0,0]=4 1163 B14R1.2172 C=C(F)COc1c(cccc1OC)Cl 7a_100009851661_100000042424 [0,1,0,0,0,0|3,0,0]=4 1164 B14R1.2172 C=C(F)COc1c(cccc1OC)F 34a_100000036725_100009893438 [0,1,0,0,0,0|3,0,0]=4 1165 B14R1.2172 C=C(F)COc1c(cccc1OC)F 7a_100000036725_100000042424 [0,1,0,0,0,0|3,0,0]=4 1166 B14R1.2172 C=C(F)COc1c(cccc1OC)N 34a_100000123586_100009893438 [0,1,0,0,0,0|3,0,0]=4 1167 B14R1.2172 C=C(F)CSc1c(cccc1CC)C 62a_100000036235_100000042424 [0,1,0,0,0,0|2,1,0]=4 1168 B14R1.2172 C=C(F)CSc1c(cccc1CC)C 62a_100000042424_100000036235 [0,1,0,0,0,0|2,1,0]=4 1169 B14R1.2172 C=C(F)CSc1c(cccc1CO)C 62a_100000042424_100011659289 [0,1,0,0,0,0|2,1,0]=4 1170 B14R1.2172 C=C(F)CSc1c(cccc1CO)C 62a_100011659289_100000042424 [0,1,0,0,0,0|2,1,0]=4 1171 B14R1.2172 C=C(F)CSc1c(cccc1OC)C 62a_100000042424_100010191535 [0,1,0,0,0,0|2,1,0]=4 1172 B14R1.2172 C=C(F)CSc1c(cccc1OC)C 62a_100010191535_100000042424 [0,1,0,0,0,0|2,1,0]=4 1173 B14R1.2172 CC(O)COc1c(cccc1CO)F 34a_100011997349_100011218427 [0,1,0,0,0,0|2,0,1]=4 1174 B14R1.2172 CC(O)COc1c(cccc1CO)F 7a_100011997349_100011218427 [0,1,0,0,0,0|2,0,1]=4 1175 B14R1.2172 CCc1cccc(c1NCC(=O)N)C 2230a_100000210048_100000747473 [0,1,0,0,0,0|2,0,0]=3 1176 B14R1.2172 CCc1cccc(c1NCC(=O)N)C 34a_100000210048_100000187820 [0,1,0,0,0,0|2,0,0]=3 1177 B14R1.2172 CCc1cccc(c1NCC(=O)N)C 7a_100000210048_100000187820 [0,1,0,0,0,0|2,0,0]=3 1178 B14R1.2172 CCc1cccc(c1NCC(=O)[O-])C 34a_100000210048_100020667443 [0,1,0,0,0,0|1,0,1]=3 1179 B14R1.2172 CCc1cccc(c1NCC(C)O)C 2230a_100000210048_100011218427 [0,1,0,0,0,0|2,0,1]=4 1180 B14R1.2172 CCc1cccc(c1NCC(C)O)C 34a_100000210048_100011218427 [0,1,0,0,0,0|2,0,1]=4 1181 B14R1.2172 CCc1cccc(c1NCC(C)O)C 7a_100000210048_100011218427 [0,1,0,0,0,0|2,0,1]=4 1182 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 2230a_100000210048_100009817552 [0,1,0,0,0,0|2,0,1]=4 1183 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 34a_100000210048_100009817552 [0,1,0,0,0,0|2,0,1]=4 1184 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 7a_100000210048_100009817552 [0,1,0,0,0,0|2,0,1]=4 1185 B14R1.2172 CCc1cccc(c1NC[N+](=O)[O-])C 34a_100000210048_100000761209 [0,1,0,0,0,0|2,0,1]=4 1186 B14R1.2172 CCc1cccc(c1NNC(=O)C)C 22a_100000726828_100000070787 [0,1,0,0,0,0|3,0,0]=4 1187 B14R1.2172 CCc1cccc(c1OCC(=O)N)Br 34a_200010001580_100000187820 [0,1,0,0,0,0|2,0,0]=3 1188 B14R1.2172 CCc1cccc(c1OCC(=O)N)Br 7a_200010001580_100000187820 [0,1,0,0,0,0|2,0,0]=3 1189 B14R1.2172 CCc1cccc(c1OCC(=O)N)C 34a_100000034007_100000187820 [0,1,0,0,0,0|1,0,0]=2 1190 B14R1.2172 CCc1cccc(c1OCC(=O)N)C 7a_100000034007_100000187820 [0,1,0,0,0,0|1,0,0]=2 1191 B14R1.2172 CCc1cccc(c1OCC(=O)[O-])Br 34a_200010001580_100020667443 [0,1,0,0,0,0|1,0,1]=3 1192 B14R1.2172 CCc1cccc(c1OCC(=O)[O-])C 34a_100000034007_100020667443 [0,1,0,0,0,0|0,0,1]=2 1193 B14R1.2172 CCc1cccc(c1OCC(C)C)C 34a_100000034007_100000210624 [0,1,0,0,0,0|2,0,1]=4 1194 B14R1.2172 CCc1cccc(c1OCC(C)C)C 7a_100000034007_100000210760 [0,1,0,0,0,0|2,0,1]=4 1195 B14R1.2172 CCc1cccc(c1OCC(C)O)Br 34a_200010001580_100011218427 [0,1,0,0,0,0|2,0,1]=4 1196 B14R1.2172 CCc1cccc(c1OCC(C)O)Br 7a_200010001580_100011218427 [0,1,0,0,0,0|2,0,1]=4 1197 B14R1.2172 CCc1cccc(c1OCC(C)O)C 34a_100000034007_100011218427 [0,1,0,0,0,0|1,0,1]=3 1198 B14R1.2172 CCc1cccc(c1OCC(C)O)C 7a_100000034007_100011218427 [0,1,0,0,0,0|1,0,1]=3 1199 B14R1.2172 CCc1cccc(c1OCC(F)F)C 34a_100000034007_100011934356 [0,1,0,0,0,0|2,0,1]=4 1200 B14R1.2172 CCc1cccc(c1OCC(F)F)C 7a_100000034007_100011934356 [0,1,0,0,0,0|2,0,1]=4 1201 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)Br 34a_200010001580_100009817552 [0,1,0,0,0,0|2,0,1]=4 1202 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)Br 7a_200010001580_100009817552 [0,1,0,0,0,0|2,0,1]=4 1203 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)C 34a_100000034007_100009817552 [0,1,0,0,0,0|1,0,1]=3 1204 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)C 7a_100000034007_100009817552 [0,1,0,0,0,0|1,0,1]=3 1205 B14R1.2172 CCc1cccc(c1OC[N+](=O)[O-])Br 34a_200010001580_100000761209 [0,1,0,0,0,0|2,0,1]=4 1206 B14R1.2172 CCc1cccc(c1OC[N+](=O)[O-])C 34a_100000034007_100000761209 [0,1,0,0,0,0|1,0,1]=3 1207 B14R1.2172 CCc1cccc(c1SCC(=O)N)C 62a_100000036235_100000747473 [0,1,0,0,0,0|1,1,0]=3 1208 B14R1.2172 CCc1cccc(c1SCC(=O)N)C 62a_100000747473_100000036235 [0,1,0,0,0,0|1,1,0]=3 1209 B14R1.2172 CCc1cccc(c1SCC(=O)[O-])C 62a_100000036235_100020667443 [0,1,0,0,0,0|0,1,1]=3 1210 B14R1.2172 CCc1cccc(c1SCC(=O)[O-])C 62a_100020667443_100000036235 [0,1,0,0,0,0|0,1,1]=3 1211 B14R1.2172 CCc1cccc(c1SCC(C)O)C 62a_100000036235_100011218427 [0,1,0,0,0,0|1,1,1]=4 1212 B14R1.2172 CCc1cccc(c1SCC(C)O)C 62a_100011218427_100000036235 [0,1,0,0,0,0|1,1,1]=4 1213 B14R1.2172 CCc1cccc(c1SC[C@@H](C)O)C 62a_100000036235_100009817552 [0,1,0,0,0,0|1,1,1]=4 1214 B14R1.2172 CCc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100000036235 [0,1,0,0,0,0|1,1,1]=4 1215 B14R1.2172 CCc1cccc(c1SC[N+](=O)[O-])C 62a_100000036235_100000761209 [0,1,0,0,0,0|1,1,1]=4 1216 B14R1.2172 CCc1occc(=O)c1OCC(=O)N 34a_100000033269_100000187820 [0,1,0,0,0,0|3,0,0]=4 1217 B14R1.2172 CCc1occc(=O)c1OCC(=O)[O-] 34a_100000033269_100020667443 [0,1,0,0,0,0|2,0,1]=4 1218 B14R1.2172 COc1cccc(c1NCC(=O)N)Br 34a_100000708083_100000187820 [0,1,0,0,0,0|3,0,0]=4 1219 B14R1.2172 COc1cccc(c1NCC(=O)N)C 2230a_100000758225_100000747473 [0,1,0,0,0,0|2,0,0]=3 1220 B14R1.2172 COc1cccc(c1NCC(=O)N)C 34a_100000758225_100000187820 [0,1,0,0,0,0|2,0,0]=3 1221 B14R1.2172 COc1cccc(c1NCC(=O)N)Cl 34a_100011309317_100000187820 [0,1,0,0,0,0|3,0,0]=4 1222 B14R1.2172 COc1cccc(c1NCC(=O)N)F 34a_100000686744_100000187820 [0,1,0,0,0,0|3,0,0]=4 1223 B14R1.2172 COc1cccc(c1NCC(=O)N)O 34a_100012022766_100000187820 [0,1,0,0,0,0|3,0,0]=4 1224 B14R1.2172 COc1cccc(c1NCC(=O)[O-])Br 34a_100000708083_100020667443 [0,1,0,0,0,0|2,0,1]=4 1225 B14R1.2172 COc1cccc(c1NCC(=O)[O-])C 34a_100000758225_100020667443 [0,1,0,0,0,0|1,0,1]=3 1226 B14R1.2172 COc1cccc(c1NCC(=O)[O-])Cl 34a_100011309317_100020667443 [0,1,0,0,0,0|2,0,1]=4 1227 B14R1.2172 COc1cccc(c1NCC(=O)[O-])F 34a_100000686744_100020667443 [0,1,0,0,0,0|2,0,1]=4 1228 B14R1.2172 COc1cccc(c1NCC(=O)[O-])O 34a_100012022766_100020667443 [0,1,0,0,0,0|2,0,1]=4 1229 B14R1.2172 COc1cccc(c1NCC(C)O)C 2230a_100000758225_100011218427 [0,1,0,0,0,0|2,0,1]=4 1230 B14R1.2172 COc1cccc(c1NCC(C)O)C 34a_100000758225_100011218427 [0,1,0,0,0,0|2,0,1]=4 1231 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)C 2230a_100000758225_100009817552 [0,1,0,0,0,0|2,0,1]=4 1232 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)C 34a_100000758225_100009817552 [0,1,0,0,0,0|2,0,1]=4 1233 B14R1.2172 COc1cccc(c1NC[N+](=O)[O-])C 34a_100000758225_100000761209 [0,1,0,0,0,0|2,0,1]=4 1234 B14R1.2172 COc1cccc(c1OCC(=O)N)Br 34a_100000686866_100000187820 [0,1,0,0,0,0|2,0,0]=3 1235 B14R1.2172 COc1cccc(c1OCC(=O)N)C 34a_100011219253_100000187820 [0,1,0,0,0,0|1,0,0]=2 1236 B14R1.2172 COc1cccc(c1OCC(=O)N)C 7a_100011219253_100000187820 [0,1,0,0,0,0|1,0,0]=2 1237 B14R1.2172 COc1cccc(c1OCC(=O)N)Cl 34a_100009851661_100000187820 [0,1,0,0,0,0|2,0,0]=3 1238 B14R1.2172 COc1cccc(c1OCC(=O)N)Cl 7a_100009851661_100000187820 [0,1,0,0,0,0|2,0,0]=3 1239 B14R1.2172 COc1cccc(c1OCC(=O)N)F 34a_100000036725_100000187820 [0,1,0,0,0,0|2,0,0]=3 1240 B14R1.2172 COc1cccc(c1OCC(=O)N)F 7a_100000036725_100000187820 [0,1,0,0,0,0|2,0,0]=3 1241 B14R1.2172 COc1cccc(c1OCC(=O)N)N 34a_100000123586_100000187820 [0,1,0,0,0,0|2,0,0]=3 1242 B14R1.2172 COc1cccc(c1OCC(=O)[O-])Br 34a_100000686866_100020667443 [0,1,0,0,0,0|1,0,1]=3 1243 B14R1.2172 COc1cccc(c1OCC(=O)[O-])C 34a_100011219253_100020667443 [0,1,0,0,0,0|0,0,1]=2 1244 B14R1.2172 COc1cccc(c1OCC(=O)[O-])Cl 34a_100009851661_100020667443 [0,1,0,0,0,0|1,0,1]=3 1245 B14R1.2172 COc1cccc(c1OCC(=O)[O-])F 34a_100000036725_100020667443 [0,1,0,0,0,0|1,0,1]=3 1246 B14R1.2172 COc1cccc(c1OCC(=O)[O-])N 34a_100000123586_100020667443 [0,1,0,0,0,0|1,0,1]=3 1247 B14R1.2172 COc1cccc(c1OCC(C)C)C 34a_100011219253_100000210624 [0,1,0,0,0,0|2,0,1]=4 1248 B14R1.2172 COc1cccc(c1OCC(C)C)C 7a_100011219253_100000210760 [0,1,0,0,0,0|2,0,1]=4 1249 B14R1.2172 COc1cccc(c1OCC(C)O)Br 34a_100000686866_100011218427 [0,1,0,0,0,0|2,0,1]=4 1250 B14R1.2172 COc1cccc(c1OCC(C)O)C 34a_100011219253_100011218427 [0,1,0,0,0,0|1,0,1]=3 1251 B14R1.2172 COc1cccc(c1OCC(C)O)C 7a_100011219253_100011218427 [0,1,0,0,0,0|1,0,1]=3 1252 B14R1.2172 COc1cccc(c1OCC(C)O)Cl 34a_100009851661_100011218427 [0,1,0,0,0,0|2,0,1]=4 1253 B14R1.2172 COc1cccc(c1OCC(C)O)Cl 7a_100009851661_100011218427 [0,1,0,0,0,0|2,0,1]=4 1254 B14R1.2172 COc1cccc(c1OCC(C)O)F 34a_100000036725_100011218427 [0,1,0,0,0,0|2,0,1]=4 1255 B14R1.2172 COc1cccc(c1OCC(C)O)F 7a_100000036725_100011218427 [0,1,0,0,0,0|2,0,1]=4 1256 B14R1.2172 COc1cccc(c1OCC(C)O)N 34a_100000123586_100011218427 [0,1,0,0,0,0|2,0,1]=4 1257 B14R1.2172 COc1cccc(c1OCC(F)F)C 34a_100011219253_100011934356 [0,1,0,0,0,0|2,0,1]=4 1258 B14R1.2172 COc1cccc(c1OCC(F)F)C 7a_100011219253_100011934356 [0,1,0,0,0,0|2,0,1]=4 1259 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Br 34a_100000686866_100009817552 [0,1,0,0,0,0|2,0,1]=4 1260 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)C 34a_100011219253_100009817552 [0,1,0,0,0,0|1,0,1]=3 1261 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)C 7a_100011219253_100009817552 [0,1,0,0,0,0|1,0,1]=3 1262 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Cl 34a_100009851661_100009817552 [0,1,0,0,0,0|2,0,1]=4 1263 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Cl 7a_100009851661_100009817552 [0,1,0,0,0,0|2,0,1]=4 1264 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)F 34a_100000036725_100009817552 [0,1,0,0,0,0|2,0,1]=4 1265 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)F 7a_100000036725_100009817552 [0,1,0,0,0,0|2,0,1]=4 1266 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)N 34a_100000123586_100009817552 [0,1,0,0,0,0|2,0,1]=4 1267 B14R1.2172 COc1cccc(c1OC[N+](=O)[O-])Br 34a_100000686866_100000761209 [0,1,0,0,0,0|2,0,1]=4 1268 B14R1.2172 COc1cccc(c1OC[N+](=O)[O-])C 34a_100011219253_100000761209 [0,1,0,0,0,0|1,0,1]=3 1269 B14R1.2172 COc1cccc(c1OC[N+](=O)[O-])Cl 34a_100009851661_100000761209 [0,1,0,0,0,0|2,0,1]=4 1270 B14R1.2172 COc1cccc(c1OC[N+](=O)[O-])F 34a_100000036725_100000761209 [0,1,0,0,0,0|2,0,1]=4 1271 B14R1.2172 COc1cccc(c1OC[N+](=O)[O-])N 34a_100000123586_100000761209 [0,1,0,0,0,0|2,0,1]=4 1272 B14R1.2172 COc1cccc(c1SCC(=O)N)Br 62a_100000747473_100010131421 [0,1,0,0,0,0|2,1,0]=4 1273 B14R1.2172 COc1cccc(c1SCC(=O)N)Br 62a_100010131421_100000747473 [0,1,0,0,0,0|2,1,0]=4 1274 B14R1.2172 COc1cccc(c1SCC(=O)N)C 62a_100000747473_100010191535 [0,1,0,0,0,0|1,1,0]=3 1275 B14R1.2172 COc1cccc(c1SCC(=O)N)C 62a_100010191535_100000747473 [0,1,0,0,0,0|1,1,0]=3 1276 B14R1.2172 COc1cccc(c1SCC(=O)N)F 62a_100000703912_100000747473 [0,1,0,0,0,0|2,1,0]=4 1277 B14R1.2172 COc1cccc(c1SCC(=O)N)F 62a_100000747473_100000703912 [0,1,0,0,0,0|2,1,0]=4 1278 B14R1.2172 COc1cccc(c1SCC(=O)N)N 62a_100000703447_100000747473 [0,1,0,0,0,0|2,1,0]=4 1279 B14R1.2172 COc1cccc(c1SCC(=O)N)N 62a_100000747473_100000703447 [0,1,0,0,0,0|2,1,0]=4 1280 B14R1.2172 COc1cccc(c1SCC(=O)N)O 62a_100000747473_100010202623 [0,1,0,0,0,0|2,1,0]=4 1281 B14R1.2172 COc1cccc(c1SCC(=O)[O-])Br 62a_100010131421_100020667443 [0,1,0,0,0,0|1,1,1]=4 1282 B14R1.2172 COc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100010131421 [0,1,0,0,0,0|1,1,1]=4 1283 B14R1.2172 COc1cccc(c1SCC(=O)[O-])C 62a_100010191535_100020667443 [0,1,0,0,0,0|0,1,1]=3 1284 B14R1.2172 COc1cccc(c1SCC(=O)[O-])C 62a_100020667443_100010191535 [0,1,0,0,0,0|0,1,1]=3 1285 B14R1.2172 COc1cccc(c1SCC(=O)[O-])F 62a_100000703912_100020667443 [0,1,0,0,0,0|1,1,1]=4 1286 B14R1.2172 COc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100000703912 [0,1,0,0,0,0|1,1,1]=4 1287 B14R1.2172 COc1cccc(c1SCC(=O)[O-])N 62a_100000703447_100020667443 [0,1,0,0,0,0|1,1,1]=4 1288 B14R1.2172 COc1cccc(c1SCC(=O)[O-])N 62a_100020667443_100000703447 [0,1,0,0,0,0|1,1,1]=4 1289 B14R1.2172 COc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100010202623 [0,1,0,0,0,0|1,1,1]=4 1290 B14R1.2172 COc1cccc(c1SCC(C)O)C 62a_100010191535_100011218427 [0,1,0,0,0,0|1,1,1]=4 1291 B14R1.2172 COc1cccc(c1SCC(C)O)C 62a_100011218427_100010191535 [0,1,0,0,0,0|1,1,1]=4 1292 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100010191535 [0,1,0,0,0,0|1,1,1]=4 1293 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)C 62a_100010191535_100009817552 [0,1,0,0,0,0|1,1,1]=4 1294 B14R1.2172 COc1cccc(c1SC[N+](=O)[O-])C 62a_100010191535_100000761209 [0,1,0,0,0,0|1,1,1]=4 1295 B14R1.2172 COc1nccc(c1SCC(=O)N)C 62a_100000747473_100012353928 [0,1,0,0,0,0|2,1,0]=4 1296 B14R1.2172 COc1nccc(c1SCC(=O)N)C 62a_100012353928_100000747473 [0,1,0,0,0,0|2,1,0]=4 1297 B14R1.2172 COc1nccc(c1SCC(=O)[O-])C 62a_100012353928_100020667443 [0,1,0,0,0,0|1,1,1]=4 1298 B14R1.2172 COc1nccc(c1SCC(=O)[O-])C 62a_100020667443_100012353928 [0,1,0,0,0,0|1,1,1]=4 1299 B14R1.2172 C[C@@H](O)COc1c(cccc1CO)F 34a_100011997349_100009817552 [0,1,0,0,0,0|2,0,1]=4 1300 B14R1.2172 C[C@@H](O)COc1c(cccc1CO)F 7a_100011997349_100009817552 [0,1,0,0,0,0|2,0,1]=4 1301 B14R1.2172 Cc1cccc(c1NCC(=O)N)C#N 2230a_100011826843_100000747473 [0,1,0,0,0,0|2,0,1]=4 1302 B14R1.2172 Cc1cccc(c1NCC(=O)N)CO 34a_100011215590_100000187820 [0,1,0,0,0,0|2,0,0]=3 1303 B14R1.2172 Cc1cccc(c1NCC(=O)[O-])CO 34a_100011215590_100020667443 [0,1,0,0,0,0|1,0,1]=3 1304 B14R1.2172 Cc1cccc(c1NCC(C)O)CO 34a_100011215590_100011218427 [0,1,0,0,0,0|2,0,1]=4 1305 B14R1.2172 Cc1cccc(c1NC[C@@H](C)O)CO 34a_100011215590_100009817552 [0,1,0,0,0,0|2,0,1]=4 1306 B14R1.2172 Cc1cccc(c1NC[N+](=O)[O-])CO 34a_100011215590_100000761209 [0,1,0,0,0,0|2,0,1]=4 1307 B14R1.2172 Cc1cccc(c1OCC(=O)N)C#N 34a_100011659161_100000187820 [0,1,0,0,0,0|1,0,1]=3 1308 B14R1.2172 Cc1cccc(c1OCC(=O)N)C#N 7a_100011659161_100000187820 [0,1,0,0,0,0|1,0,1]=3 1309 B14R1.2172 Cc1cccc(c1OCC(=O)N)CN 34a_100020639391_100000187820 [0,1,0,0,0,0|1,0,0]=2 1310 B14R1.2172 Cc1cccc(c1OCC(=O)[O-])C#N 34a_100011659161_100020667443 [0,1,0,0,0,0|0,0,2]=3 1311 B14R1.2172 Cc1cccc(c1OCC(=O)[O-])CN 34a_100020639391_100020667443 [0,1,0,0,0,0|0,0,1]=2 1312 B14R1.2172 Cc1cccc(c1OCC(C)C)CN 34a_100020639391_100000210624 [0,1,0,0,0,0|2,0,1]=4 1313 B14R1.2172 Cc1cccc(c1OCC(C)O)C#N 34a_100011659161_100011218427 [0,1,0,0,0,0|1,0,2]=4 1314 B14R1.2172 Cc1cccc(c1OCC(C)O)C#N 7a_100011659161_100011218427 [0,1,0,0,0,0|1,0,2]=4 1315 B14R1.2172 Cc1cccc(c1OCC(C)O)CN 34a_100020639391_100011218427 [0,1,0,0,0,0|1,0,1]=3 1316 B14R1.2172 Cc1cccc(c1OCC(F)F)CN 34a_100020639391_100011934356 [0,1,0,0,0,0|2,0,1]=4 1317 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)C#N 34a_100011659161_100009817552 [0,1,0,0,0,0|1,0,2]=4 1318 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)C#N 7a_100011659161_100009817552 [0,1,0,0,0,0|1,0,2]=4 1319 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)CN 34a_100020639391_100009817552 [0,1,0,0,0,0|1,0,1]=3 1320 B14R1.2172 Cc1cccc(c1OC[N+](=O)[O-])C#N 34a_100011659161_100000761209 [0,1,0,0,0,0|1,0,2]=4 1321 B14R1.2172 Cc1cccc(c1OC[N+](=O)[O-])CN 34a_100020639391_100000761209 [0,1,0,0,0,0|1,0,1]=3 1322 B14R1.2172 Cc1cccc(c1SCC(=O)N)C#N 62a_100000747473_100011934862 [0,1,0,0,0,0|1,1,1]=4 1323 B14R1.2172 Cc1cccc(c1SCC(=O)N)C=O 62a_100000747473_100012186367 [0,1,0,0,0,0|1,1,1]=4 1324 B14R1.2172 Cc1cccc(c1SCC(=O)N)C=O 62a_100012186367_100000747473 [0,1,0,0,0,0|1,1,1]=4 1325 B14R1.2172 Cc1cccc(c1SCC(=O)N)CO 62a_100000747473_100011659289 [0,1,0,0,0,0|1,1,0]=3 1326 B14R1.2172 Cc1cccc(c1SCC(=O)N)CO 62a_100011659289_100000747473 [0,1,0,0,0,0|1,1,0]=3 1327 B14R1.2172 Cc1cccc(c1SCC(=O)[O-])C#N 62a_100020667443_100011934862 [0,1,0,0,0,0|0,1,2]=4 1328 B14R1.2172 Cc1cccc(c1SCC(=O)[O-])C=O 62a_100012186367_100020667443 [0,1,0,0,0,0|0,1,2]=4 1329 B14R1.2172 Cc1cccc(c1SCC(=O)[O-])C=O 62a_100020667443_100012186367 [0,1,0,0,0,0|0,1,2]=4 1330 B14R1.2172 Cc1cccc(c1SCC(=O)[O-])CO 62a_100011659289_100020667443 [0,1,0,0,0,0|0,1,1]=3 1331 B14R1.2172 Cc1cccc(c1SCC(=O)[O-])CO 62a_100020667443_100011659289 [0,1,0,0,0,0|0,1,1]=3 1332 B14R1.2172 Cc1cccc(c1SCC(C)O)CO 62a_100011218427_100011659289 [0,1,0,0,0,0|1,1,1]=4 1333 B14R1.2172 Cc1cccc(c1SCC(C)O)CO 62a_100011659289_100011218427 [0,1,0,0,0,0|1,1,1]=4 1334 B14R1.2172 Cc1cccc(c1SC[C@@H](C)O)CO 62a_100009817552_100011659289 [0,1,0,0,0,0|1,1,1]=4 1335 B14R1.2172 Cc1cccc(c1SC[C@@H](C)O)CO 62a_100011659289_100009817552 [0,1,0,0,0,0|1,1,1]=4 1336 B14R1.2172 Cc1cccc(c1SC[N+](=O)[O-])CO 62a_100011659289_100000761209 [0,1,0,0,0,0|1,1,1]=4 1337 B14R1.2172 N#Cc1cccc(c1OCC(=O)N)Br 34a_100009817103_100000187820 [0,1,0,0,0,0|2,0,1]=4 1338 B14R1.2172 N#Cc1cccc(c1OCC(=O)N)Cl 34a_100009866432_100000187820 [0,1,0,0,0,0|2,0,1]=4 1339 B14R1.2172 N#Cc1cccc(c1OCC(=O)N)Cl 7a_100009866432_100000187820 [0,1,0,0,0,0|2,0,1]=4 1340 B14R1.2172 N#Cc1cccc(c1OCC(=O)N)F 34a_100000117915_100000187820 [0,1,0,0,0,0|2,0,1]=4 1341 B14R1.2172 N#Cc1cccc(c1OCC(=O)N)F 7a_100000117915_100000187820 [0,1,0,0,0,0|2,0,1]=4 1342 B14R1.2172 N#Cc1cccc(c1OCC(=O)[O-])Br 34a_100009817103_100020667443 [0,1,0,0,0,0|1,0,2]=4 1343 B14R1.2172 N#Cc1cccc(c1OCC(=O)[O-])Cl 34a_100009866432_100020667443 [0,1,0,0,0,0|1,0,2]=4 1344 B14R1.2172 N#Cc1cccc(c1OCC(=O)[O-])F 34a_100000117915_100020667443 [0,1,0,0,0,0|1,0,2]=4 1345 B14R1.2172 NC(=O)CNc1c(cccc1CO)Cl 34a_100012182729_100000187820 [0,1,0,0,0,0|3,0,0]=4 1346 B14R1.2172 NC(=O)CNc1c(cccc1CO)F 34a_100000692437_100000187820 [0,1,0,0,0,0|3,0,0]=4 1347 B14R1.2172 NC(=O)COc1c(cccc1CO)F 34a_100011997349_100000187820 [0,1,0,0,0,0|2,0,0]=3 1348 B14R1.2172 NC(=O)COc1c(cccc1CO)F 7a_100011997349_100000187820 [0,1,0,0,0,0|2,0,0]=3 1349 B14R1.2172 NC(=O)CSc1c(cccc1CO)Br 62a_100000747473_100010146604 [0,1,0,0,0,0|2,1,0]=4 1350 B14R1.2172 NC(=O)CSc1c(cccc1CO)Br 62a_100010146604_100000747473 [0,1,0,0,0,0|2,1,0]=4 1351 B14R1.2172 NC(=O)CSc1c(cccc1CO)F 62a_100000747473_100012351117 [0,1,0,0,0,0|2,1,0]=4 1352 B14R1.2172 NC(=O)CSc1c(cccc1CO)F 62a_100012351117_100000747473 [0,1,0,0,0,0|2,1,0]=4 1353 B14R1.2172 NCc1cccc(c1SCC(=O)N)F 62a_100000747473_100020638964 [0,1,0,0,0,0|2,1,0]=4 1354 B14R1.2172 NCc1cccc(c1SCC(=O)N)F 62a_100020638964_100000747473 [0,1,0,0,0,0|2,1,0]=4 1355 B14R1.2172 NCc1cccc(c1SCC(=O)[O-])F 62a_100020638964_100020667443 [0,1,0,0,0,0|1,1,1]=4 1356 B14R1.2172 NCc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100020638964 [0,1,0,0,0,0|1,1,1]=4 1357 B14R1.2172 O=C([O-])CNc1c(cccc1CO)Cl 34a_100012182729_100020667443 [0,1,0,0,0,0|2,0,1]=4 1358 B14R1.2172 O=C([O-])CNc1c(cccc1CO)F 34a_100000692437_100020667443 [0,1,0,0,0,0|2,0,1]=4 1359 B14R1.2172 O=C([O-])COc1c(cccc1CO)F 34a_100011997349_100020667443 [0,1,0,0,0,0|1,0,1]=3 1360 B14R1.2172 O=C([O-])CSc1c(cccc1CO)Br 62a_100010146604_100020667443 [0,1,0,0,0,0|1,1,1]=4 1361 B14R1.2172 O=C([O-])CSc1c(cccc1CO)Br 62a_100020667443_100010146604 [0,1,0,0,0,0|1,1,1]=4 1362 B14R1.2172 O=C([O-])CSc1c(cccc1CO)F 62a_100012351117_100020667443 [0,1,0,0,0,0|1,1,1]=4 1363 B14R1.2172 O=C([O-])CSc1c(cccc1CO)F 62a_100020667443_100012351117 [0,1,0,0,0,0|1,1,1]=4 1364 B14R1.2172 O=[N+]([O-])COc1c(cccc1CO)F 34a_100011997349_100000761209 [0,1,0,0,0,0|2,0,1]=4 1365 B14R1.3152 C=C(C)CNc1c(cc(cc1C)Br)C 34a_100000737279_100000748629 [0,1,0,0,0,0|3,0,0]=4 1366 B14R1.3152 C=C(C)CNc1c(cc(cc1C)Br)C 7a_100000737279_100000748629 [0,1,0,0,0,0|3,0,0]=4 1367 B14R1.3152 C=C(C)CNc1c(cc(cc1C)C)C 34a_100000210045_100000748629 [0,1,0,0,0,0|3,0,0]=4 1368 B14R1.3152 C=C(C)CNc1c(cc(cc1C)C)C 7a_100000210045_100000748629 [0,1,0,0,0,0|3,0,0]=4 1369 B14R1.3152 C=C(C)CNc1c(cc(cc1C)Cl)C 34a_100000692879_100000748629 [0,1,0,0,0,0|3,0,0]=4 1370 B14R1.3152 C=C(C)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100000748629 [0,1,0,0,0,0|3,0,0]=4 1371 B14R1.3152 C=C(C)CNc1c(cc(cc1C)F)C 34a_100011290887_100000748629 [0,1,0,0,0,0|3,0,0]=4 1372 B14R1.3152 C=C(C)CNc1c(cc(cc1C)F)C 7a_100011290887_100000748629 [0,1,0,0,0,0|3,0,0]=4 1373 B14R1.3152 C=C(C)CNc1c(cc(cc1C)I)C 7a_100011356821_100000748629 [0,1,0,0,0,0|3,0,0]=4 1374 B14R1.3152 C=C(C)CNc1c(cc(cc1C)O)C 34a_100011934200_100000748629 [0,1,0,0,0,0|3,0,0]=4 1375 B14R1.3152 C=C(C)COc1c(cc(cc1Br)Br)C 34a_100000186369_100000748629 [0,1,0,0,0,0|3,0,0]=4 1376 B14R1.3152 C=C(C)COc1c(cc(cc1Br)Br)C 7a_100000186369_100000748629 [0,1,0,0,0,0|3,0,0]=4 1377 B14R1.3152 C=C(C)COc1c(cc(cc1Br)C)C 34a_100011934984_100000748629 [0,1,0,0,0,0|3,0,0]=4 1378 B14R1.3152 C=C(C)COc1c(cc(cc1Br)C)C 7a_100011934984_100000748629 [0,1,0,0,0,0|3,0,0]=4 1379 B14R1.3152 C=C(C)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100000748629 [0,1,0,0,0,0|3,0,0]=4 1380 B14R1.3152 C=C(C)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000748629 [0,1,0,0,0,0|3,0,0]=4 1381 B14R1.3152 C=C(C)COc1c(cc(cc1Br)I)C 34a_100010982682_100000748629 [0,1,0,0,0,0|3,0,0]=4 1382 B14R1.3152 C=C(C)COc1c(cc(cc1Br)I)C 7a_100010982682_100000748629 [0,1,0,0,0,0|3,0,0]=4 1383 B14R1.3152 C=C(C)COc1c(cc(cc1Br)N)C 34a_100010064301_100000748629 [0,1,0,0,0,0|3,0,0]=4 1384 B14R1.3152 C=C(C)COc1c(cc(cc1Br)N)C 7a_100010064301_100000748629 [0,1,0,0,0,0|3,0,0]=4 1385 B14R1.3152 C=C(C)COc1c(cc(cc1C)Br)C 34a_100000187306_100000748629 [0,1,0,0,0,0|2,0,0]=3 1386 B14R1.3152 C=C(C)COc1c(cc(cc1C)Br)C 7a_100000187306_100000748629 [0,1,0,0,0,0|2,0,0]=3 1387 B14R1.3152 C=C(C)COc1c(cc(cc1C)C)C 34a_100000212074_100000748629 [0,1,0,0,0,0|2,0,0]=3 1388 B14R1.3152 C=C(C)COc1c(cc(cc1C)C)C 7a_100000212074_100000748629 [0,1,0,0,0,0|2,0,0]=3 1389 B14R1.3152 C=C(C)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000748629 [0,1,0,0,0,0|2,0,0]=3 1390 B14R1.3152 C=C(C)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000748629 [0,1,0,0,0,0|2,0,0]=3 1391 B14R1.3152 C=C(C)COc1c(cc(cc1C)F)C 34a_100000081862_100000748629 [0,1,0,0,0,0|2,0,0]=3 1392 B14R1.3152 C=C(C)COc1c(cc(cc1C)F)C 7a_100000081862_100000748629 [0,1,0,0,0,0|2,0,0]=3 1393 B14R1.3152 C=C(C)COc1c(cc(cc1C)I)C 34a_100011216129_100000748629 [0,1,0,0,0,0|2,0,0]=3 1394 B14R1.3152 C=C(C)COc1c(cc(cc1C)I)C 7a_100011216129_100000748629 [0,1,0,0,0,0|2,0,0]=3 1395 B14R1.3152 C=C(C)COc1c(cc(cc1C)N)C 34a_100000703291_100000748629 [0,1,0,0,0,0|2,0,0]=3 1396 B14R1.3152 C=C(C)COc1c(cc(cc1C)N)C 7a_100000703291_100000748629 [0,1,0,0,0,0|2,0,0]=3 1397 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)Br)C 34a_100000211485_100000748629 [0,1,0,0,0,0|3,0,0]=4 1398 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100000748629 [0,1,0,0,0,0|3,0,0]=4 1399 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000748629 [0,1,0,0,0,0|3,0,0]=4 1400 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000748629 [0,1,0,0,0,0|3,0,0]=4 1401 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)I)C 34a_200015900153_100000748629 [0,1,0,0,0,0|3,0,0]=4 1402 B14R1.3152 C=C(C)COc1c(cc(cc1Cl)I)C 7a_200015900153_100000748629 [0,1,0,0,0,0|3,0,0]=4 1403 B14R1.3152 C=C(C)COc1c(cc(cc1I)Cl)C 34a_100012343667_100000748629 [0,1,0,0,0,0|3,0,0]=4 1404 B14R1.3152 C=C(C)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000748629 [0,1,0,0,0,0|3,0,0]=4 1405 B14R1.3152 C=C(C)COc1c(cc(cc1N)Br)C 34a_100011825904_100000748629 [0,1,0,0,0,0|3,0,0]=4 1406 B14R1.3152 C=C(C)COc1c(cc(cc1N)Br)C 7a_100011825904_100000748629 [0,1,0,0,0,0|3,0,0]=4 1407 B14R1.3152 C=C(C)COc1c(cc(cc1N)C)C 34a_100011216242_100000748629 [0,1,0,0,0,0|3,0,0]=4 1408 B14R1.3152 C=C(C)COc1c(cc(cc1N)C)C 7a_100011216242_100000748629 [0,1,0,0,0,0|3,0,0]=4 1409 B14R1.3152 C=C(C)COc1c(cc(cc1N)F)C 34a_100000130126_100000748629 [0,1,0,0,0,0|3,0,0]=4 1410 B14R1.3152 C=C(C)COc1c(cc(cc1N)F)C 7a_100000130126_100000748629 [0,1,0,0,0,0|3,0,0]=4 1411 B14R1.3152 C=C(C)CSc1c(cc(cc1C)Br)C 62a_100000748629_100009814048 [0,1,0,0,0,0|2,1,0]=4 1412 B14R1.3152 C=C(C)CSc1c(cc(cc1C)Br)C 62a_100009814048_100000211660 [0,1,0,0,0,0|2,1,0]=4 1413 B14R1.3152 C=C(C)CSc1c(cc(cc1C)C)C 62a_100000748629_100011204320 [0,1,0,0,0,0|2,1,0]=4 1414 B14R1.3152 C=C(C)CSc1c(cc(cc1C)C)C 62a_100011204320_100000211660 [0,1,0,0,0,0|2,1,0]=4 1415 B14R1.3152 C=C(C)CSc1c(cc(cc1C)Cl)C 62a_100000748629_100010244930 [0,1,0,0,0,0|2,1,0]=4 1416 B14R1.3152 C=C(C)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100000211660 [0,1,0,0,0,0|2,1,0]=4 1417 B14R1.3152 C=C(C)CSc1c(cc(cc1C)F)C 62a_100000748629_100012356666 [0,1,0,0,0,0|2,1,0]=4 1418 B14R1.3152 C=C(C)CSc1c(cc(cc1C)F)C 62a_100012356666_100000211660 [0,1,0,0,0,0|2,1,0]=4 1419 B14R1.3152 C=C(C)CSc1c(cc(cc1C)N)C 62a_100000215964_100000211660 [0,1,0,0,0,0|2,1,0]=4 1420 B14R1.3152 C=C(C)CSc1c(cc(cc1C)N)C 62a_100000748629_100000215964 [0,1,0,0,0,0|2,1,0]=4 1421 B14R1.3152 C=C(C)CSc1c(cc(cc1C)O)C 62a_100000243743_100000211660 [0,1,0,0,0,0|2,1,0]=4 1422 B14R1.3152 C=C(C)CSc1c(cc(cc1C)O)C 62a_100000748629_100000243743 [0,1,0,0,0,0|2,1,0]=4 1423 B14R1.3152 C=C(F)CNc1c(cc(cc1C)Br)C 34a_100000737279_100009893438 [0,1,0,0,0,0|3,0,0]=4 1424 B14R1.3152 C=C(F)CNc1c(cc(cc1C)Br)C 7a_100000737279_100000042424 [0,1,0,0,0,0|3,0,0]=4 1425 B14R1.3152 C=C(F)CNc1c(cc(cc1C)C)C 34a_100000210045_100009893438 [0,1,0,0,0,0|3,0,0]=4 1426 B14R1.3152 C=C(F)CNc1c(cc(cc1C)C)C 7a_100000210045_100000042424 [0,1,0,0,0,0|3,0,0]=4 1427 B14R1.3152 C=C(F)CNc1c(cc(cc1C)Cl)C 34a_100000692879_100009893438 [0,1,0,0,0,0|3,0,0]=4 1428 B14R1.3152 C=C(F)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100000042424 [0,1,0,0,0,0|3,0,0]=4 1429 B14R1.3152 C=C(F)CNc1c(cc(cc1C)F)C 34a_100011290887_100009893438 [0,1,0,0,0,0|3,0,0]=4 1430 B14R1.3152 C=C(F)CNc1c(cc(cc1C)F)C 7a_100011290887_100000042424 [0,1,0,0,0,0|3,0,0]=4 1431 B14R1.3152 C=C(F)CNc1c(cc(cc1C)I)C 7a_100011356821_100000042424 [0,1,0,0,0,0|3,0,0]=4 1432 B14R1.3152 C=C(F)CNc1c(cc(cc1C)O)C 34a_100011934200_100009893438 [0,1,0,0,0,0|3,0,0]=4 1433 B14R1.3152 C=C(F)COc1c(cc(cc1Br)Br)C 34a_100000186369_100009893438 [0,1,0,0,0,0|3,0,0]=4 1434 B14R1.3152 C=C(F)COc1c(cc(cc1Br)Br)C 7a_100000186369_100000042424 [0,1,0,0,0,0|3,0,0]=4 1435 B14R1.3152 C=C(F)COc1c(cc(cc1Br)C)C 34a_100011934984_100009893438 [0,1,0,0,0,0|3,0,0]=4 1436 B14R1.3152 C=C(F)COc1c(cc(cc1Br)C)C 7a_100011934984_100000042424 [0,1,0,0,0,0|3,0,0]=4 1437 B14R1.3152 C=C(F)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100009893438 [0,1,0,0,0,0|3,0,0]=4 1438 B14R1.3152 C=C(F)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000042424 [0,1,0,0,0,0|3,0,0]=4 1439 B14R1.3152 C=C(F)COc1c(cc(cc1Br)I)C 34a_100010982682_100009893438 [0,1,0,0,0,0|3,0,0]=4 1440 B14R1.3152 C=C(F)COc1c(cc(cc1Br)I)C 7a_100010982682_100000042424 [0,1,0,0,0,0|3,0,0]=4 1441 B14R1.3152 C=C(F)COc1c(cc(cc1Br)N)C 34a_100010064301_100009893438 [0,1,0,0,0,0|3,0,0]=4 1442 B14R1.3152 C=C(F)COc1c(cc(cc1Br)N)C 7a_100010064301_100000042424 [0,1,0,0,0,0|3,0,0]=4 1443 B14R1.3152 C=C(F)COc1c(cc(cc1C)Br)C 34a_100000187306_100009893438 [0,1,0,0,0,0|2,0,0]=3 1444 B14R1.3152 C=C(F)COc1c(cc(cc1C)Br)C 7a_100000187306_100000042424 [0,1,0,0,0,0|2,0,0]=3 1445 B14R1.3152 C=C(F)COc1c(cc(cc1C)C)C 34a_100000212074_100009893438 [0,1,0,0,0,0|2,0,0]=3 1446 B14R1.3152 C=C(F)COc1c(cc(cc1C)C)C 7a_100000212074_100000042424 [0,1,0,0,0,0|2,0,0]=3 1447 B14R1.3152 C=C(F)COc1c(cc(cc1C)Cl)C 34a_100000211519_100009893438 [0,1,0,0,0,0|2,0,0]=3 1448 B14R1.3152 C=C(F)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000042424 [0,1,0,0,0,0|2,0,0]=3 1449 B14R1.3152 C=C(F)COc1c(cc(cc1C)F)C 34a_100000081862_100009893438 [0,1,0,0,0,0|2,0,0]=3 1450 B14R1.3152 C=C(F)COc1c(cc(cc1C)F)C 7a_100000081862_100000042424 [0,1,0,0,0,0|2,0,0]=3 1451 B14R1.3152 C=C(F)COc1c(cc(cc1C)I)C 34a_100011216129_100009893438 [0,1,0,0,0,0|2,0,0]=3 1452 B14R1.3152 C=C(F)COc1c(cc(cc1C)I)C 7a_100011216129_100000042424 [0,1,0,0,0,0|2,0,0]=3 1453 B14R1.3152 C=C(F)COc1c(cc(cc1C)N)C 34a_100000703291_100009893438 [0,1,0,0,0,0|2,0,0]=3 1454 B14R1.3152 C=C(F)COc1c(cc(cc1C)N)C 7a_100000703291_100000042424 [0,1,0,0,0,0|2,0,0]=3 1455 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)Br)C 34a_100000211485_100009893438 [0,1,0,0,0,0|3,0,0]=4 1456 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100000042424 [0,1,0,0,0,0|3,0,0]=4 1457 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100009893438 [0,1,0,0,0,0|3,0,0]=4 1458 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000042424 [0,1,0,0,0,0|3,0,0]=4 1459 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)I)C 34a_200015900153_100009893438 [0,1,0,0,0,0|3,0,0]=4 1460 B14R1.3152 C=C(F)COc1c(cc(cc1Cl)I)C 7a_200015900153_100000042424 [0,1,0,0,0,0|3,0,0]=4 1461 B14R1.3152 C=C(F)COc1c(cc(cc1I)Cl)C 34a_100012343667_100009893438 [0,1,0,0,0,0|3,0,0]=4 1462 B14R1.3152 C=C(F)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000042424 [0,1,0,0,0,0|3,0,0]=4 1463 B14R1.3152 C=C(F)COc1c(cc(cc1N)Br)C 34a_100011825904_100009893438 [0,1,0,0,0,0|3,0,0]=4 1464 B14R1.3152 C=C(F)COc1c(cc(cc1N)Br)C 7a_100011825904_100000042424 [0,1,0,0,0,0|3,0,0]=4 1465 B14R1.3152 C=C(F)COc1c(cc(cc1N)C)C 34a_100011216242_100009893438 [0,1,0,0,0,0|3,0,0]=4 1466 B14R1.3152 C=C(F)COc1c(cc(cc1N)C)C 7a_100011216242_100000042424 [0,1,0,0,0,0|3,0,0]=4 1467 B14R1.3152 C=C(F)COc1c(cc(cc1N)F)C 34a_100000130126_100009893438 [0,1,0,0,0,0|3,0,0]=4 1468 B14R1.3152 C=C(F)COc1c(cc(cc1N)F)C 7a_100000130126_100000042424 [0,1,0,0,0,0|3,0,0]=4 1469 B14R1.3152 C=C(F)CSc1c(cc(cc1C)Br)C 62a_100000042424_100009814048 [0,1,0,0,0,0|2,1,0]=4 1470 B14R1.3152 C=C(F)CSc1c(cc(cc1C)Br)C 62a_100009814048_100000042424 [0,1,0,0,0,0|2,1,0]=4 1471 B14R1.3152 C=C(F)CSc1c(cc(cc1C)C)C 62a_100000042424_100011204320 [0,1,0,0,0,0|2,1,0]=4 1472 B14R1.3152 C=C(F)CSc1c(cc(cc1C)C)C 62a_100011204320_100000042424 [0,1,0,0,0,0|2,1,0]=4 1473 B14R1.3152 C=C(F)CSc1c(cc(cc1C)Cl)C 62a_100000042424_100010244930 [0,1,0,0,0,0|2,1,0]=4 1474 B14R1.3152 C=C(F)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100000042424 [0,1,0,0,0,0|2,1,0]=4 1475 B14R1.3152 C=C(F)CSc1c(cc(cc1C)F)C 62a_100000042424_100012356666 [0,1,0,0,0,0|2,1,0]=4 1476 B14R1.3152 C=C(F)CSc1c(cc(cc1C)F)C 62a_100012356666_100000042424 [0,1,0,0,0,0|2,1,0]=4 1477 B14R1.3152 C=C(F)CSc1c(cc(cc1C)N)C 62a_100000042424_100000215964 [0,1,0,0,0,0|2,1,0]=4 1478 B14R1.3152 C=C(F)CSc1c(cc(cc1C)N)C 62a_100000215964_100000042424 [0,1,0,0,0,0|2,1,0]=4 1479 B14R1.3152 C=C(F)CSc1c(cc(cc1C)O)C 62a_100000042424_100000243743 [0,1,0,0,0,0|2,1,0]=4 1480 B14R1.3152 C=C(F)CSc1c(cc(cc1C)O)C 62a_100000243743_100000042424 [0,1,0,0,0,0|2,1,0]=4 1481 B14R1.3152 CC(=O)C=Cc1c(cc(cc1C)C)C 1458a_100011191989_200000210301 [0,1,0,0,0,0|2,0,1]=4 1482 B14R1.3152 CC(=O)COc1c(cc(cc1C)Br)C 1458a_100009812269_200000210301 [0,1,0,0,0,0|1,0,0]=2 1483 B14R1.3152 CC(=O)COc1c(cc(cc1C)C)C 1458a_200000183695_200000210301 [0,1,0,0,0,0|1,0,0]=2 1484 B14R1.3152 CC(=O)COc1c(cc(cc1C)Cl)C 1458a_100000183735_200000210301 [0,1,0,0,0,0|1,0,0]=2 1485 B14R1.3152 CC(=O)COc1c(cc(cc1Cl)Br)C 1458a_100000179748_200000210301 [0,1,0,0,0,0|2,0,0]=3 1486 B14R1.3152 CC(=O)COc1c(cc(cc1Cl)C)C 1458a_200000013560_200000210301 [0,1,0,0,0,0|2,0,0]=3 1487 B14R1.3152 CC(=O)COc1c(cc(cc1Cl)Cl)C 1458a_100000013561_200000210301 [0,1,0,0,0,0|2,0,0]=3 1488 B14R1.3152 CC(=O)COc1c(cc(cc1Cl)Cl)Cl 1458a_100000246012_200000210301 [0,1,0,0,0,0|3,0,0]=4 1489 B14R1.3152 CC(=O)NCc1c(cc(cc1C)C)C 11a_100000737526_100015343762 [0,1,0,0,0,0|3,0,0]=4 1490 B14R1.3152 CC(=O)NCc1c(cc(cc1C)C)C 1626a_100000737526_100015343762 [0,1,0,0,0,0|3,0,0]=4 1491 B14R1.3152 CC(=O)NCc1c(cc(cc1C)C)C 240690a_100000737526_100015343762 [0,1,0,0,0,0|3,0,0]=4 1492 B14R1.3152 CC(=O)NCc1c(cc(cc1C)C)C 527a_100000737526_100103153847 [0,1,0,0,0,0|3,0,0]=4 1493 B14R1.3152 CC(=O)NNc1c(cc(cc1C)Br)C 22a_100020646918_100000070787 [0,1,0,0,0,0|3,0,0]=4 1494 B14R1.3152 CC(=O)NNc1c(cc(cc1C)C)C 22a_100000764542_100000070787 [0,1,0,0,0,0|3,0,0]=4 1495 B14R1.3152 Cc1cc(c(c(c1)Br)NCC(=O)N)C 34a_100000688863_100000187820 [0,1,0,0,0,0|3,0,0]=4 1496 B14R1.3152 Cc1cc(c(c(c1)Br)NCC(=O)[O-])C 34a_100000688863_100020667443 [0,1,0,0,0,0|2,0,1]=4 1497 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)Br 34a_100000203795_100000187820 [0,1,0,0,0,0|3,0,0]=4 1498 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)Br 7a_100000203795_100000187820 [0,1,0,0,0,0|3,0,0]=4 1499 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)C 34a_100011934984_100000187820 [0,1,0,0,0,0|2,0,0]=3 1500 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)C 7a_100011934984_100000187820 [0,1,0,0,0,0|2,0,0]=3 1501 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)F 34a_200010713133_100000187820 [0,1,0,0,0,0|3,0,0]=4 1502 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)N)F 7a_200010713133_100000187820 [0,1,0,0,0,0|3,0,0]=4 1503 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)[O-])Br 34a_100000203795_100020667443 [0,1,0,0,0,0|2,0,1]=4 1504 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)[O-])C 34a_100011934984_100020667443 [0,1,0,0,0,0|1,0,1]=3 1505 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(=O)[O-])F 34a_200010713133_100020667443 [0,1,0,0,0,0|2,0,1]=4 1506 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(C)O)C 34a_100011934984_100011218427 [0,1,0,0,0,0|2,0,1]=4 1507 B14R1.3152 Cc1cc(c(c(c1)Br)OCC(C)O)C 7a_100011934984_100011218427 [0,1,0,0,0,0|2,0,1]=4 1508 B14R1.3152 Cc1cc(c(c(c1)Br)OC[C@@H](C)O)C 34a_100011934984_100009817552 [0,1,0,0,0,0|2,0,1]=4 1509 B14R1.3152 Cc1cc(c(c(c1)Br)OC[C@@H](C)O)C 7a_100011934984_100009817552 [0,1,0,0,0,0|2,0,1]=4 1510 B14R1.3152 Cc1cc(c(c(c1)Br)OC[N+](=O)[O-])C 34a_100011934984_100000761209 [0,1,0,0,0,0|2,0,1]=4 1511 B14R1.3152 Cc1cc(c(c(c1)Br)SCC(=O)N)C 62a_100000747473_200012353697 [0,1,0,0,0,0|2,1,0]=4 1512 B14R1.3152 Cc1cc(c(c(c1)Br)SCC(=O)N)C 62a_200012353697_100000747473 [0,1,0,0,0,0|2,1,0]=4 1513 B14R1.3152 Cc1cc(c(c(c1)Br)SCC(=O)[O-])C 62a_100020667443_200012353697 [0,1,0,0,0,0|1,1,1]=4 1514 B14R1.3152 Cc1cc(c(c(c1)Br)SCC(=O)[O-])C 62a_200012353697_100020667443 [0,1,0,0,0,0|1,1,1]=4 1515 B14R1.3152 Cc1cc(c(c(c1)C)C=CC(=O)[13CH3])C 1458a_100011191989_200025704644 [0,1,0,0,0,0|2,0,1]=4 1516 B14R1.3152 Cc1cc(c(c(c1)C)NCC(=O)N)C 34a_100000210045_100000187820 [0,1,0,0,0,0|2,0,0]=3 1517 B14R1.3152 Cc1cc(c(c(c1)C)NCC(=O)N)C 7a_100000210045_100000187820 [0,1,0,0,0,0|2,0,0]=3 1518 B14R1.3152 Cc1cc(c(c(c1)C)NCC(=O)[O-])C 34a_100000210045_100020667443 [0,1,0,0,0,0|1,0,1]=3 1519 B14R1.3152 Cc1cc(c(c(c1)C)NCC(C)O)C 34a_100000210045_100011218427 [0,1,0,0,0,0|2,0,1]=4 1520 B14R1.3152 Cc1cc(c(c(c1)C)NCC(C)O)C 7a_100000210045_100011218427 [0,1,0,0,0,0|2,0,1]=4 1521 B14R1.3152 Cc1cc(c(c(c1)C)NC[C@@H](C)O)C 34a_100000210045_100009817552 [0,1,0,0,0,0|2,0,1]=4 1522 B14R1.3152 Cc1cc(c(c(c1)C)NC[C@@H](C)O)C 7a_100000210045_100009817552 [0,1,0,0,0,0|2,0,1]=4 1523 B14R1.3152 Cc1cc(c(c(c1)C)NC[N+](=O)[O-])C 34a_100000210045_100000761209 [0,1,0,0,0,0|2,0,1]=4 1524 B14R1.3152 Cc1cc(c(c(c1)C)OCC(=O)N)C 34a_100000212074_100000187820 [0,1,0,0,0,0|1,0,0]=2 1525 B14R1.3152 Cc1cc(c(c(c1)C)OCC(=O)N)C 7a_100000212074_100000187820 [0,1,0,0,0,0|1,0,0]=2 1526 B14R1.3152 Cc1cc(c(c(c1)C)OCC(=O)[13CH3])C 1458a_200000183695_200025704644 [0,1,0,0,0,0|1,0,0]=2 1527 B14R1.3152 Cc1cc(c(c(c1)C)OCC(=O)[O-])C 34a_100000212074_100020667443 [0,1,0,0,0,0|0,0,1]=2 1528 B14R1.3152 Cc1cc(c(c(c1)C)OCC(C)C)C 34a_100000212074_100000210624 [0,1,0,0,0,0|2,0,1]=4 1529 B14R1.3152 Cc1cc(c(c(c1)C)OCC(C)C)C 7a_100000212074_100000210760 [0,1,0,0,0,0|2,0,1]=4 1530 B14R1.3152 Cc1cc(c(c(c1)C)OCC(C)O)C 34a_100000212074_100011218427 [0,1,0,0,0,0|1,0,1]=3 1531 B14R1.3152 Cc1cc(c(c(c1)C)OCC(C)O)C 7a_100000212074_100011218427 [0,1,0,0,0,0|1,0,1]=3 1532 B14R1.3152 Cc1cc(c(c(c1)C)OCC(F)F)C 34a_100000212074_100011934356 [0,1,0,0,0,0|2,0,1]=4 1533 B14R1.3152 Cc1cc(c(c(c1)C)OCC(F)F)C 7a_100000212074_100011934356 [0,1,0,0,0,0|2,0,1]=4 1534 B14R1.3152 Cc1cc(c(c(c1)C)OC[C@@H](C)O)C 34a_100000212074_100009817552 [0,1,0,0,0,0|1,0,1]=3 1535 B14R1.3152 Cc1cc(c(c(c1)C)OC[C@@H](C)O)C 7a_100000212074_100009817552 [0,1,0,0,0,0|1,0,1]=3 1536 B14R1.3152 Cc1cc(c(c(c1)C)OC[N+](=O)[O-])C 34a_100000212074_100000761209 [0,1,0,0,0,0|1,0,1]=3 1537 B14R1.3152 Cc1cc(c(c(c1)C)SCC(=O)N)C 62a_100000747473_100011204320 [0,1,0,0,0,0|1,1,0]=3 1538 B14R1.3152 Cc1cc(c(c(c1)C)SCC(=O)N)C 62a_100011204320_100000747473 [0,1,0,0,0,0|1,1,0]=3 1539 B14R1.3152 Cc1cc(c(c(c1)C)SCC(=O)[O-])C 62a_100011204320_100020667443 [0,1,0,0,0,0|0,1,1]=3 1540 B14R1.3152 Cc1cc(c(c(c1)C)SCC(=O)[O-])C 62a_100020667443_100011204320 [0,1,0,0,0,0|0,1,1]=3 1541 B14R1.3152 Cc1cc(c(c(c1)C)SCC(C)O)C 62a_100011204320_100011218427 [0,1,0,0,0,0|1,1,1]=4 1542 B14R1.3152 Cc1cc(c(c(c1)C)SCC(C)O)C 62a_100011218427_100011204320 [0,1,0,0,0,0|1,1,1]=4 1543 B14R1.3152 Cc1cc(c(c(c1)C)SC[C@@H](C)O)C 62a_100009817552_100011204320 [0,1,0,0,0,0|1,1,1]=4 1544 B14R1.3152 Cc1cc(c(c(c1)C)SC[C@@H](C)O)C 62a_100011204320_100009817552 [0,1,0,0,0,0|1,1,1]=4 1545 B14R1.3152 Cc1cc(c(c(c1)C)SC[N+](=O)[O-])C 62a_100011204320_100000761209 [0,1,0,0,0,0|1,1,1]=4 1546 B14R1.3152 Cc1cc(c(c(c1)Cl)NCC(=O)N)C 34a_100000211461_100000187820 [0,1,0,0,0,0|3,0,0]=4 1547 B14R1.3152 Cc1cc(c(c(c1)Cl)NCC(=O)N)C 7a_100000211461_100000187820 [0,1,0,0,0,0|3,0,0]=4 1548 B14R1.3152 Cc1cc(c(c(c1)Cl)NCC(=O)[O-])C 34a_100000211461_100020667443 [0,1,0,0,0,0|2,0,1]=4 1549 B14R1.3152 Cc1cc(c(c(c1)Cl)OCC(=O)N)Cl 34a_100000034925_100000187820 [0,1,0,0,0,0|3,0,0]=4 1550 B14R1.3152 Cc1cc(c(c(c1)Cl)OCC(=O)N)Cl 7a_100000034925_100000187820 [0,1,0,0,0,0|3,0,0]=4 1551 B14R1.3152 Cc1cc(c(c(c1)Cl)OCC(=O)[13CH3])C 1458a_200000013560_200025704644 [0,1,0,0,0,0|2,0,0]=3 1552 B14R1.3152 Cc1cc(c(c(c1)Cl)OCC(=O)[O-])Cl 34a_100000034925_100020667443 [0,1,0,0,0,0|2,0,1]=4 1553 B14R1.3152 Cc1cc(c(c(c1)I)OCC(=O)N)F 34a_200135191068_100000187820 [0,1,0,0,0,0|3,0,0]=4 1554 B14R1.3152 Cc1cc(c(c(c1)I)OCC(=O)N)F 7a_200135191068_100000187820 [0,1,0,0,0,0|3,0,0]=4 1555 B14R1.3152 Cc1cc(c(c(c1)I)OCC(=O)[O-])F 34a_200135191068_100020667443 [0,1,0,0,0,0|2,0,1]=4 1556 B14R1.3152 Cc1cc(c(c(c1)N)OCC(=O)N)C 34a_100011216242_100000187820 [0,1,0,0,0,0|2,0,0]=3 1557 B14R1.3152 Cc1cc(c(c(c1)N)OCC(=O)N)C 7a_100011216242_100000187820 [0,1,0,0,0,0|2,0,0]=3 1558 B14R1.3152 Cc1cc(c(c(c1)N)OCC(=O)[O-])C 34a_100011216242_100020667443 [0,1,0,0,0,0|1,0,1]=3 1559 B14R1.3152 Cc1cc(c(c(c1)N)OCC(C)O)C 34a_100011216242_100011218427 [0,1,0,0,0,0|2,0,1]=4 1560 B14R1.3152 Cc1cc(c(c(c1)N)OCC(C)O)C 7a_100011216242_100011218427 [0,1,0,0,0,0|2,0,1]=4 1561 B14R1.3152 Cc1cc(c(c(c1)N)OC[C@@H](C)O)C 34a_100011216242_100009817552 [0,1,0,0,0,0|2,0,1]=4 1562 B14R1.3152 Cc1cc(c(c(c1)N)OC[C@@H](C)O)C 7a_100011216242_100009817552 [0,1,0,0,0,0|2,0,1]=4 1563 B14R1.3152 Cc1cc(c(c(c1)N)OC[N+](=O)[O-])C 34a_100011216242_100000761209 [0,1,0,0,0,0|2,0,1]=4 1564 B14R1.3152 Cc1cc(c(c(c1)O)OCC(=O)N)C 271570a_203496583355_200010173088 [0,1,0,0,0,0|2,0,0]=3 1565 B14R1.3152 Cc1cc(c(c(c1)O)SCC(=O)N)C 62a_100000747473_100010342985 [0,1,0,0,0,0|2,1,0]=4 1566 B14R1.3152 Cc1cc(c(c(c1)O)SCC(=O)N)C 62a_100010342985_100000747473 [0,1,0,0,0,0|2,1,0]=4 1567 B14R1.3152 Cc1cc(c(c(c1)O)SCC(=O)[O-])C 62a_100010342985_100020667443 [0,1,0,0,0,0|1,1,1]=4 1568 B14R1.3152 Cc1cc(c(c(c1)O)SCC(=O)[O-])C 62a_100020667443_100010342985 [0,1,0,0,0,0|1,1,1]=4 1569 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)Br 34a_100012047207_100000187820 [0,1,0,0,0,0|3,0,0]=4 1570 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)Br 7a_100012047207_100000187820 [0,1,0,0,0,0|3,0,0]=4 1571 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)Cl 34a_100012353696_100000187820 [0,1,0,0,0,0|3,0,0]=4 1572 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)Cl 7a_100012353696_100000187820 [0,1,0,0,0,0|3,0,0]=4 1573 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)F 34a_100011216670_100000187820 [0,1,0,0,0,0|3,0,0]=4 1574 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Br)F 7a_100011216670_100000187820 [0,1,0,0,0,0|3,0,0]=4 1575 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)Br 34a_100000737279_100000187820 [0,1,0,0,0,0|2,0,0]=3 1576 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)Br 7a_100000737279_100000187820 [0,1,0,0,0,0|2,0,0]=3 1577 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)Cl 34a_100000692879_100000187820 [0,1,0,0,0,0|2,0,0]=3 1578 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)Cl 7a_100000692879_100000187820 [0,1,0,0,0,0|2,0,0]=3 1579 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)F 34a_100011290887_100000187820 [0,1,0,0,0,0|2,0,0]=3 1580 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)F 7a_100011290887_100000187820 [0,1,0,0,0,0|2,0,0]=3 1581 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)I 7a_100011356821_100000187820 [0,1,0,0,0,0|2,0,0]=3 1582 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)C)O 34a_100011934200_100000187820 [0,1,0,0,0,0|2,0,0]=3 1583 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)Br 34a_100000741131_100000187820 [0,1,0,0,0,0|3,0,0]=4 1584 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)Br 7a_100000741131_100000187820 [0,1,0,0,0,0|3,0,0]=4 1585 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)Cl 34a_100011215104_100000187820 [0,1,0,0,0,0|3,0,0]=4 1586 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)Cl 7a_100011215104_100000187820 [0,1,0,0,0,0|3,0,0]=4 1587 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)F 34a_100000725997_100000187820 [0,1,0,0,0,0|3,0,0]=4 1588 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)Cl)F 7a_100000725997_100000187820 [0,1,0,0,0,0|3,0,0]=4 1589 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)F)Br 34a_100000709789_100000187820 [0,1,0,0,0,0|3,0,0]=4 1590 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)F)Br 7a_100000709789_100000187820 [0,1,0,0,0,0|3,0,0]=4 1591 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)F)Cl 34a_100012017672_100000187820 [0,1,0,0,0,0|3,0,0]=4 1592 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)F)Cl 7a_100012017672_100000187820 [0,1,0,0,0,0|3,0,0]=4 1593 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)I)Br 7a_200000690823_100000187820 [0,1,0,0,0,0|3,0,0]=4 1594 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)I)Cl 7a_100012344046_100000187820 [0,1,0,0,0,0|3,0,0]=4 1595 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)O)Br 34a_100010371313_100000187820 [0,1,0,0,0,0|3,0,0]=4 1596 B14R1.3152 Cc1cc(cc(c1NCC(=O)N)O)Br 7a_100010371313_100000187820 [0,1,0,0,0,0|3,0,0]=4 1597 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Br)Br 34a_100012047207_100020667443 [0,1,0,0,0,0|2,0,1]=4 1598 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Br)Cl 34a_100012353696_100020667443 [0,1,0,0,0,0|2,0,1]=4 1599 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Br)F 34a_100011216670_100020667443 [0,1,0,0,0,0|2,0,1]=4 1600 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])C)Br 34a_100000737279_100020667443 [0,1,0,0,0,0|1,0,1]=3 1601 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])C)Cl 34a_100000692879_100020667443 [0,1,0,0,0,0|1,0,1]=3 1602 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])C)F 34a_100011290887_100020667443 [0,1,0,0,0,0|1,0,1]=3 1603 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])C)O 34a_100011934200_100020667443 [0,1,0,0,0,0|1,0,1]=3 1604 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Cl)Br 34a_100000741131_100020667443 [0,1,0,0,0,0|2,0,1]=4 1605 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Cl)Cl 34a_100011215104_100020667443 [0,1,0,0,0,0|2,0,1]=4 1606 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])Cl)F 34a_100000725997_100020667443 [0,1,0,0,0,0|2,0,1]=4 1607 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])F)Br 34a_100000709789_100020667443 [0,1,0,0,0,0|2,0,1]=4 1608 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])F)Cl 34a_100012017672_100020667443 [0,1,0,0,0,0|2,0,1]=4 1609 B14R1.3152 Cc1cc(cc(c1NCC(=O)[O-])O)Br 34a_100010371313_100020667443 [0,1,0,0,0,0|2,0,1]=4 1610 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)Br 34a_100000737279_100011218427 [0,1,0,0,0,0|2,0,1]=4 1611 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)Br 7a_100000737279_100011218427 [0,1,0,0,0,0|2,0,1]=4 1612 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)Cl 34a_100000692879_100011218427 [0,1,0,0,0,0|2,0,1]=4 1613 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)Cl 7a_100000692879_100011218427 [0,1,0,0,0,0|2,0,1]=4 1614 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)F 34a_100011290887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1615 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)F 7a_100011290887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1616 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)I 7a_100011356821_100011218427 [0,1,0,0,0,0|2,0,1]=4 1617 B14R1.3152 Cc1cc(cc(c1NCC(C)O)C)O 34a_100011934200_100011218427 [0,1,0,0,0,0|2,0,1]=4 1618 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)Br 34a_100000737279_100009817552 [0,1,0,0,0,0|2,0,1]=4 1619 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)Br 7a_100000737279_100009817552 [0,1,0,0,0,0|2,0,1]=4 1620 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)Cl 34a_100000692879_100009817552 [0,1,0,0,0,0|2,0,1]=4 1621 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)Cl 7a_100000692879_100009817552 [0,1,0,0,0,0|2,0,1]=4 1622 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)F 34a_100011290887_100009817552 [0,1,0,0,0,0|2,0,1]=4 1623 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)F 7a_100011290887_100009817552 [0,1,0,0,0,0|2,0,1]=4 1624 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)I 7a_100011356821_100009817552 [0,1,0,0,0,0|2,0,1]=4 1625 B14R1.3152 Cc1cc(cc(c1NC[C@@H](C)O)C)O 34a_100011934200_100009817552 [0,1,0,0,0,0|2,0,1]=4 1626 B14R1.3152 Cc1cc(cc(c1NC[N+](=O)[O-])C)Br 34a_100000737279_100000761209 [0,1,0,0,0,0|2,0,1]=4 1627 B14R1.3152 Cc1cc(cc(c1NC[N+](=O)[O-])C)Cl 34a_100000692879_100000761209 [0,1,0,0,0,0|2,0,1]=4 1628 B14R1.3152 Cc1cc(cc(c1NC[N+](=O)[O-])C)F 34a_100011290887_100000761209 [0,1,0,0,0,0|2,0,1]=4 1629 B14R1.3152 Cc1cc(cc(c1NC[N+](=O)[O-])C)O 34a_100011934200_100000761209 [0,1,0,0,0,0|2,0,1]=4 1630 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)Br 34a_100000186369_100000187820 [0,1,0,0,0,0|2,0,0]=3 1631 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)Br 7a_100000186369_100000187820 [0,1,0,0,0,0|2,0,0]=3 1632 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)Cl 34a_100012337756_100000187820 [0,1,0,0,0,0|2,0,0]=3 1633 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)Cl 7a_100012337756_100000187820 [0,1,0,0,0,0|2,0,0]=3 1634 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)I 34a_100010982682_100000187820 [0,1,0,0,0,0|2,0,0]=3 1635 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)I 7a_100010982682_100000187820 [0,1,0,0,0,0|2,0,0]=3 1636 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)N 34a_100010064301_100000187820 [0,1,0,0,0,0|2,0,0]=3 1637 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Br)N 7a_100010064301_100000187820 [0,1,0,0,0,0|2,0,0]=3 1638 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)Br 34a_100000187306_100000187820 [0,1,0,0,0,0|1,0,0]=2 1639 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)Br 7a_100000187306_100000187820 [0,1,0,0,0,0|1,0,0]=2 1640 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)Cl 34a_100000211519_100000187820 [0,1,0,0,0,0|1,0,0]=2 1641 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)Cl 7a_100000211519_100000187820 [0,1,0,0,0,0|1,0,0]=2 1642 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)F 34a_100000081862_100000187820 [0,1,0,0,0,0|1,0,0]=2 1643 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)F 7a_100000081862_100000187820 [0,1,0,0,0,0|1,0,0]=2 1644 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)I 34a_100011216129_100000187820 [0,1,0,0,0,0|1,0,0]=2 1645 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)I 7a_100011216129_100000187820 [0,1,0,0,0,0|1,0,0]=2 1646 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)N 34a_100000703291_100000187820 [0,1,0,0,0,0|1,0,0]=2 1647 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)C)N 7a_100000703291_100000187820 [0,1,0,0,0,0|1,0,0]=2 1648 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)Br 34a_100000211485_100000187820 [0,1,0,0,0,0|2,0,0]=3 1649 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)Br 7a_100000211485_100000187820 [0,1,0,0,0,0|2,0,0]=3 1650 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)Cl 34a_100011218458_100000187820 [0,1,0,0,0,0|2,0,0]=3 1651 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)Cl 7a_100011218458_100000187820 [0,1,0,0,0,0|2,0,0]=3 1652 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)I 34a_200015900153_100000187820 [0,1,0,0,0,0|2,0,0]=3 1653 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)Cl)I 7a_200015900153_100000187820 [0,1,0,0,0,0|2,0,0]=3 1654 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)I)Cl 34a_100012343667_100000187820 [0,1,0,0,0,0|2,0,0]=3 1655 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)I)Cl 7a_100012343667_100000187820 [0,1,0,0,0,0|2,0,0]=3 1656 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)N)Br 34a_100011825904_100000187820 [0,1,0,0,0,0|2,0,0]=3 1657 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)N)Br 7a_100011825904_100000187820 [0,1,0,0,0,0|2,0,0]=3 1658 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)N)F 34a_100000130126_100000187820 [0,1,0,0,0,0|2,0,0]=3 1659 B14R1.3152 Cc1cc(cc(c1OCC(=O)N)N)F 7a_100000130126_100000187820 [0,1,0,0,0,0|2,0,0]=3 1660 B14R1.3152 Cc1cc(cc(c1OCC(=O)[13CH3])C)Br 1458a_100009812269_200025704644 [0,1,0,0,0,0|1,0,0]=2 1661 B14R1.3152 Cc1cc(cc(c1OCC(=O)[13CH3])C)Cl 1458a_100000183735_200025704644 [0,1,0,0,0,0|1,0,0]=2 1662 B14R1.3152 Cc1cc(cc(c1OCC(=O)[13CH3])Cl)Br 1458a_100000179748_200025704644 [0,1,0,0,0,0|2,0,0]=3 1663 B14R1.3152 Cc1cc(cc(c1OCC(=O)[13CH3])Cl)Cl 1458a_100000013561_200025704644 [0,1,0,0,0,0|2,0,0]=3 1664 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Br)Br 34a_100000186369_100020667443 [0,1,0,0,0,0|1,0,1]=3 1665 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Br)Cl 34a_100012337756_100020667443 [0,1,0,0,0,0|1,0,1]=3 1666 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Br)I 34a_100010982682_100020667443 [0,1,0,0,0,0|1,0,1]=3 1667 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Br)N 34a_100010064301_100020667443 [0,1,0,0,0,0|1,0,1]=3 1668 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])C)Br 34a_100000187306_100020667443 [0,1,0,0,0,0|0,0,1]=2 1669 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])C)Cl 34a_100000211519_100020667443 [0,1,0,0,0,0|0,0,1]=2 1670 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])C)F 34a_100000081862_100020667443 [0,1,0,0,0,0|0,0,1]=2 1671 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])C)I 34a_100011216129_100020667443 [0,1,0,0,0,0|0,0,1]=2 1672 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])C)N 34a_100000703291_100020667443 [0,1,0,0,0,0|0,0,1]=2 1673 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Cl)Br 34a_100000211485_100020667443 [0,1,0,0,0,0|1,0,1]=3 1674 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Cl)Cl 34a_100011218458_100020667443 [0,1,0,0,0,0|1,0,1]=3 1675 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])Cl)I 34a_200015900153_100020667443 [0,1,0,0,0,0|1,0,1]=3 1676 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])I)Cl 34a_100012343667_100020667443 [0,1,0,0,0,0|1,0,1]=3 1677 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])N)Br 34a_100011825904_100020667443 [0,1,0,0,0,0|1,0,1]=3 1678 B14R1.3152 Cc1cc(cc(c1OCC(=O)[O-])N)F 34a_100000130126_100020667443 [0,1,0,0,0,0|1,0,1]=3 1679 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)Br 34a_100000187306_100000210624 [0,1,0,0,0,0|2,0,1]=4 1680 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)Br 7a_100000187306_100000210760 [0,1,0,0,0,0|2,0,1]=4 1681 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)Cl 34a_100000211519_100000210624 [0,1,0,0,0,0|2,0,1]=4 1682 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)Cl 7a_100000211519_100000210760 [0,1,0,0,0,0|2,0,1]=4 1683 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)F 34a_100000081862_100000210624 [0,1,0,0,0,0|2,0,1]=4 1684 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)F 7a_100000081862_100000210760 [0,1,0,0,0,0|2,0,1]=4 1685 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)I 34a_100011216129_100000210624 [0,1,0,0,0,0|2,0,1]=4 1686 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)I 7a_100011216129_100000210760 [0,1,0,0,0,0|2,0,1]=4 1687 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)N 34a_100000703291_100000210624 [0,1,0,0,0,0|2,0,1]=4 1688 B14R1.3152 Cc1cc(cc(c1OCC(C)C)C)N 7a_100000703291_100000210760 [0,1,0,0,0,0|2,0,1]=4 1689 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)Br 34a_100000186369_100011218427 [0,1,0,0,0,0|2,0,1]=4 1690 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)Br 7a_100000186369_100011218427 [0,1,0,0,0,0|2,0,1]=4 1691 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)Cl 34a_100012337756_100011218427 [0,1,0,0,0,0|2,0,1]=4 1692 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)Cl 7a_100012337756_100011218427 [0,1,0,0,0,0|2,0,1]=4 1693 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)I 34a_100010982682_100011218427 [0,1,0,0,0,0|2,0,1]=4 1694 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)I 7a_100010982682_100011218427 [0,1,0,0,0,0|2,0,1]=4 1695 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)N 34a_100010064301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1696 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Br)N 7a_100010064301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1697 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)Br 34a_100000187306_100011218427 [0,1,0,0,0,0|1,0,1]=3 1698 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)Br 7a_100000187306_100011218427 [0,1,0,0,0,0|1,0,1]=3 1699 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)Cl 34a_100000211519_100011218427 [0,1,0,0,0,0|1,0,1]=3 1700 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)Cl 7a_100000211519_100011218427 [0,1,0,0,0,0|1,0,1]=3 1701 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)F 34a_100000081862_100011218427 [0,1,0,0,0,0|1,0,1]=3 1702 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)F 7a_100000081862_100011218427 [0,1,0,0,0,0|1,0,1]=3 1703 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)I 34a_100011216129_100011218427 [0,1,0,0,0,0|1,0,1]=3 1704 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)I 7a_100011216129_100011218427 [0,1,0,0,0,0|1,0,1]=3 1705 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)N 34a_100000703291_100011218427 [0,1,0,0,0,0|1,0,1]=3 1706 B14R1.3152 Cc1cc(cc(c1OCC(C)O)C)N 7a_100000703291_100011218427 [0,1,0,0,0,0|1,0,1]=3 1707 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)Br 34a_100000211485_100011218427 [0,1,0,0,0,0|2,0,1]=4 1708 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)Br 7a_100000211485_100011218427 [0,1,0,0,0,0|2,0,1]=4 1709 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)Cl 34a_100011218458_100011218427 [0,1,0,0,0,0|2,0,1]=4 1710 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)Cl 7a_100011218458_100011218427 [0,1,0,0,0,0|2,0,1]=4 1711 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)I 34a_200015900153_100011218427 [0,1,0,0,0,0|2,0,1]=4 1712 B14R1.3152 Cc1cc(cc(c1OCC(C)O)Cl)I 7a_200015900153_100011218427 [0,1,0,0,0,0|2,0,1]=4 1713 B14R1.3152 Cc1cc(cc(c1OCC(C)O)I)Cl 34a_100012343667_100011218427 [0,1,0,0,0,0|2,0,1]=4 1714 B14R1.3152 Cc1cc(cc(c1OCC(C)O)I)Cl 7a_100012343667_100011218427 [0,1,0,0,0,0|2,0,1]=4 1715 B14R1.3152 Cc1cc(cc(c1OCC(C)O)N)Br 34a_100011825904_100011218427 [0,1,0,0,0,0|2,0,1]=4 1716 B14R1.3152 Cc1cc(cc(c1OCC(C)O)N)Br 7a_100011825904_100011218427 [0,1,0,0,0,0|2,0,1]=4 1717 B14R1.3152 Cc1cc(cc(c1OCC(C)O)N)F 34a_100000130126_100011218427 [0,1,0,0,0,0|2,0,1]=4 1718 B14R1.3152 Cc1cc(cc(c1OCC(C)O)N)F 7a_100000130126_100011218427 [0,1,0,0,0,0|2,0,1]=4 1719 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)Br 34a_100000187306_100011934356 [0,1,0,0,0,0|2,0,1]=4 1720 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)Br 7a_100000187306_100011934356 [0,1,0,0,0,0|2,0,1]=4 1721 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)Cl 34a_100000211519_100011934356 [0,1,0,0,0,0|2,0,1]=4 1722 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)Cl 7a_100000211519_100011934356 [0,1,0,0,0,0|2,0,1]=4 1723 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)F 34a_100000081862_100011934356 [0,1,0,0,0,0|2,0,1]=4 1724 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)F 7a_100000081862_100011934356 [0,1,0,0,0,0|2,0,1]=4 1725 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)I 34a_100011216129_100011934356 [0,1,0,0,0,0|2,0,1]=4 1726 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)I 7a_100011216129_100011934356 [0,1,0,0,0,0|2,0,1]=4 1727 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)N 34a_100000703291_100011934356 [0,1,0,0,0,0|2,0,1]=4 1728 B14R1.3152 Cc1cc(cc(c1OCC(F)F)C)N 7a_100000703291_100011934356 [0,1,0,0,0,0|2,0,1]=4 1729 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)Br 34a_100000186369_100009817552 [0,1,0,0,0,0|2,0,1]=4 1730 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)Br 7a_100000186369_100009817552 [0,1,0,0,0,0|2,0,1]=4 1731 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)Cl 34a_100012337756_100009817552 [0,1,0,0,0,0|2,0,1]=4 1732 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)Cl 7a_100012337756_100009817552 [0,1,0,0,0,0|2,0,1]=4 1733 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)I 34a_100010982682_100009817552 [0,1,0,0,0,0|2,0,1]=4 1734 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)I 7a_100010982682_100009817552 [0,1,0,0,0,0|2,0,1]=4 1735 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)N 34a_100010064301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1736 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Br)N 7a_100010064301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1737 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)Br 34a_100000187306_100009817552 [0,1,0,0,0,0|1,0,1]=3 1738 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)Br 7a_100000187306_100009817552 [0,1,0,0,0,0|1,0,1]=3 1739 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)Cl 34a_100000211519_100009817552 [0,1,0,0,0,0|1,0,1]=3 1740 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)Cl 7a_100000211519_100009817552 [0,1,0,0,0,0|1,0,1]=3 1741 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)F 34a_100000081862_100009817552 [0,1,0,0,0,0|1,0,1]=3 1742 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)F 7a_100000081862_100009817552 [0,1,0,0,0,0|1,0,1]=3 1743 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)I 34a_100011216129_100009817552 [0,1,0,0,0,0|1,0,1]=3 1744 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)I 7a_100011216129_100009817552 [0,1,0,0,0,0|1,0,1]=3 1745 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)N 34a_100000703291_100009817552 [0,1,0,0,0,0|1,0,1]=3 1746 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)C)N 7a_100000703291_100009817552 [0,1,0,0,0,0|1,0,1]=3 1747 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)Br 34a_100000211485_100009817552 [0,1,0,0,0,0|2,0,1]=4 1748 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)Br 7a_100000211485_100009817552 [0,1,0,0,0,0|2,0,1]=4 1749 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)Cl 34a_100011218458_100009817552 [0,1,0,0,0,0|2,0,1]=4 1750 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)Cl 7a_100011218458_100009817552 [0,1,0,0,0,0|2,0,1]=4 1751 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)I 34a_200015900153_100009817552 [0,1,0,0,0,0|2,0,1]=4 1752 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)Cl)I 7a_200015900153_100009817552 [0,1,0,0,0,0|2,0,1]=4 1753 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)I)Cl 34a_100012343667_100009817552 [0,1,0,0,0,0|2,0,1]=4 1754 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)I)Cl 7a_100012343667_100009817552 [0,1,0,0,0,0|2,0,1]=4 1755 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)N)Br 34a_100011825904_100009817552 [0,1,0,0,0,0|2,0,1]=4 1756 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)N)Br 7a_100011825904_100009817552 [0,1,0,0,0,0|2,0,1]=4 1757 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)N)F 34a_100000130126_100009817552 [0,1,0,0,0,0|2,0,1]=4 1758 B14R1.3152 Cc1cc(cc(c1OC[C@@H](C)O)N)F 7a_100000130126_100009817552 [0,1,0,0,0,0|2,0,1]=4 1759 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Br)Br 34a_100000186369_100000761209 [0,1,0,0,0,0|2,0,1]=4 1760 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Br)Cl 34a_100012337756_100000761209 [0,1,0,0,0,0|2,0,1]=4 1761 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Br)I 34a_100010982682_100000761209 [0,1,0,0,0,0|2,0,1]=4 1762 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Br)N 34a_100010064301_100000761209 [0,1,0,0,0,0|2,0,1]=4 1763 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])C)Br 34a_100000187306_100000761209 [0,1,0,0,0,0|1,0,1]=3 1764 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])C)Cl 34a_100000211519_100000761209 [0,1,0,0,0,0|1,0,1]=3 1765 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])C)F 34a_100000081862_100000761209 [0,1,0,0,0,0|1,0,1]=3 1766 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])C)I 34a_100011216129_100000761209 [0,1,0,0,0,0|1,0,1]=3 1767 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])C)N 34a_100000703291_100000761209 [0,1,0,0,0,0|1,0,1]=3 1768 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Cl)Br 34a_100000211485_100000761209 [0,1,0,0,0,0|2,0,1]=4 1769 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Cl)Cl 34a_100011218458_100000761209 [0,1,0,0,0,0|2,0,1]=4 1770 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])Cl)I 34a_200015900153_100000761209 [0,1,0,0,0,0|2,0,1]=4 1771 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])I)Cl 34a_100012343667_100000761209 [0,1,0,0,0,0|2,0,1]=4 1772 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])N)Br 34a_100011825904_100000761209 [0,1,0,0,0,0|2,0,1]=4 1773 B14R1.3152 Cc1cc(cc(c1OC[N+](=O)[O-])N)F 34a_100000130126_100000761209 [0,1,0,0,0,0|2,0,1]=4 1774 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Br)Br 62a_100000747473_200010208242 [0,1,0,0,0,0|2,1,0]=4 1775 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Br)Br 62a_200010208242_100000747473 [0,1,0,0,0,0|2,1,0]=4 1776 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Br)F 62a_100000747473_100010208209 [0,1,0,0,0,0|2,1,0]=4 1777 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Br)F 62a_100010208209_100000747473 [0,1,0,0,0,0|2,1,0]=4 1778 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)Br 62a_100000747473_100009814048 [0,1,0,0,0,0|1,1,0]=3 1779 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)Br 62a_100009814048_100000747473 [0,1,0,0,0,0|1,1,0]=3 1780 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)Cl 62a_100000747473_100010244930 [0,1,0,0,0,0|1,1,0]=3 1781 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)Cl 62a_100010244930_100000747473 [0,1,0,0,0,0|1,1,0]=3 1782 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)F 62a_100000747473_100012356666 [0,1,0,0,0,0|1,1,0]=3 1783 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)F 62a_100012356666_100000747473 [0,1,0,0,0,0|1,1,0]=3 1784 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)N 62a_100000215964_100000747473 [0,1,0,0,0,0|1,1,0]=3 1785 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)N 62a_100000747473_100000215964 [0,1,0,0,0,0|1,1,0]=3 1786 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)O 62a_100000243743_100000747473 [0,1,0,0,0,0|1,1,0]=3 1787 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)C)O 62a_100000747473_100000243743 [0,1,0,0,0,0|1,1,0]=3 1788 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Cl)Cl 62a_100000747473_200000035511 [0,1,0,0,0,0|2,1,0]=4 1789 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Cl)Cl 62a_200000035511_100000747473 [0,1,0,0,0,0|2,1,0]=4 1790 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Cl)F 62a_100000747473_100010079234 [0,1,0,0,0,0|2,1,0]=4 1791 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)Cl)F 62a_100010079234_100000747473 [0,1,0,0,0,0|2,1,0]=4 1792 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)F)F 62a_100000747473_100015332101 [0,1,0,0,0,0|2,1,0]=4 1793 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)F)F 62a_100015332101_100000747473 [0,1,0,0,0,0|2,1,0]=4 1794 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)F)N 62a_100000747473_100010115923 [0,1,0,0,0,0|2,1,0]=4 1795 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)F)N 62a_100010115923_100000747473 [0,1,0,0,0,0|2,1,0]=4 1796 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)N)Cl 62a_100000698757_100000747473 [0,1,0,0,0,0|2,1,0]=4 1797 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)N)Cl 62a_100000747473_100000698757 [0,1,0,0,0,0|2,1,0]=4 1798 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)O)Cl 62a_100000747473_100010254216 [0,1,0,0,0,0|2,1,0]=4 1799 B14R1.3152 Cc1cc(cc(c1SCC(=O)N)O)Cl 62a_100010254216_100000747473 [0,1,0,0,0,0|2,1,0]=4 1800 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Br)Br 62a_100020667443_200010208242 [0,1,0,0,0,0|1,1,1]=4 1801 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Br)Br 62a_200010208242_100020667443 [0,1,0,0,0,0|1,1,1]=4 1802 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Br)F 62a_100010208209_100020667443 [0,1,0,0,0,0|1,1,1]=4 1803 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Br)F 62a_100020667443_100010208209 [0,1,0,0,0,0|1,1,1]=4 1804 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)Br 62a_100009814048_100020667443 [0,1,0,0,0,0|0,1,1]=3 1805 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)Br 62a_100020667443_100009814048 [0,1,0,0,0,0|0,1,1]=3 1806 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)Cl 62a_100010244930_100020667443 [0,1,0,0,0,0|0,1,1]=3 1807 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)Cl 62a_100020667443_100010244930 [0,1,0,0,0,0|0,1,1]=3 1808 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)F 62a_100012356666_100020667443 [0,1,0,0,0,0|0,1,1]=3 1809 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)F 62a_100020667443_100012356666 [0,1,0,0,0,0|0,1,1]=3 1810 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)N 62a_100000215964_100020667443 [0,1,0,0,0,0|0,1,1]=3 1811 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)N 62a_100020667443_100000215964 [0,1,0,0,0,0|0,1,1]=3 1812 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)O 62a_100000243743_100020667443 [0,1,0,0,0,0|0,1,1]=3 1813 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])C)O 62a_100020667443_100000243743 [0,1,0,0,0,0|0,1,1]=3 1814 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Cl)Cl 62a_100020667443_200000035511 [0,1,0,0,0,0|1,1,1]=4 1815 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Cl)Cl 62a_200000035511_100020667443 [0,1,0,0,0,0|1,1,1]=4 1816 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Cl)F 62a_100010079234_100020667443 [0,1,0,0,0,0|1,1,1]=4 1817 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])Cl)F 62a_100020667443_100010079234 [0,1,0,0,0,0|1,1,1]=4 1818 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])F)F 62a_100015332101_100020667443 [0,1,0,0,0,0|1,1,1]=4 1819 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])F)F 62a_100020667443_100015332101 [0,1,0,0,0,0|1,1,1]=4 1820 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])F)N 62a_100010115923_100020667443 [0,1,0,0,0,0|1,1,1]=4 1821 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])F)N 62a_100020667443_100010115923 [0,1,0,0,0,0|1,1,1]=4 1822 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])N)Cl 62a_100000698757_100020667443 [0,1,0,0,0,0|1,1,1]=4 1823 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])N)Cl 62a_100020667443_100000698757 [0,1,0,0,0,0|1,1,1]=4 1824 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])O)Cl 62a_100010254216_100020667443 [0,1,0,0,0,0|1,1,1]=4 1825 B14R1.3152 Cc1cc(cc(c1SCC(=O)[O-])O)Cl 62a_100020667443_100010254216 [0,1,0,0,0,0|1,1,1]=4 1826 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)Br 62a_100009814048_100011218427 [0,1,0,0,0,0|1,1,1]=4 1827 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)Br 62a_100011218427_100009814048 [0,1,0,0,0,0|1,1,1]=4 1828 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)Cl 62a_100010244930_100011218427 [0,1,0,0,0,0|1,1,1]=4 1829 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)Cl 62a_100011218427_100010244930 [0,1,0,0,0,0|1,1,1]=4 1830 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)F 62a_100011218427_100012356666 [0,1,0,0,0,0|1,1,1]=4 1831 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)F 62a_100012356666_100011218427 [0,1,0,0,0,0|1,1,1]=4 1832 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)N 62a_100000215964_100011218427 [0,1,0,0,0,0|1,1,1]=4 1833 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)N 62a_100011218427_100000215964 [0,1,0,0,0,0|1,1,1]=4 1834 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)O 62a_100000243743_100011218427 [0,1,0,0,0,0|1,1,1]=4 1835 B14R1.3152 Cc1cc(cc(c1SCC(C)O)C)O 62a_100011218427_100000243743 [0,1,0,0,0,0|1,1,1]=4 1836 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)Br 62a_100009814048_100009817552 [0,1,0,0,0,0|1,1,1]=4 1837 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)Br 62a_100009817552_100009814048 [0,1,0,0,0,0|1,1,1]=4 1838 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)Cl 62a_100009817552_100010244930 [0,1,0,0,0,0|1,1,1]=4 1839 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)Cl 62a_100010244930_100009817552 [0,1,0,0,0,0|1,1,1]=4 1840 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)F 62a_100009817552_100012356666 [0,1,0,0,0,0|1,1,1]=4 1841 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)F 62a_100012356666_100009817552 [0,1,0,0,0,0|1,1,1]=4 1842 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)N 62a_100000215964_100009817552 [0,1,0,0,0,0|1,1,1]=4 1843 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)N 62a_100009817552_100000215964 [0,1,0,0,0,0|1,1,1]=4 1844 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)O 62a_100000243743_100009817552 [0,1,0,0,0,0|1,1,1]=4 1845 B14R1.3152 Cc1cc(cc(c1SC[C@@H](C)O)C)O 62a_100009817552_100000243743 [0,1,0,0,0,0|1,1,1]=4 1846 B14R1.3152 Cc1cc(cc(c1SC[N+](=O)[O-])C)Br 62a_100009814048_100000761209 [0,1,0,0,0,0|1,1,1]=4 1847 B14R1.3152 Cc1cc(cc(c1SC[N+](=O)[O-])C)Cl 62a_100010244930_100000761209 [0,1,0,0,0,0|1,1,1]=4 1848 B14R1.3152 Cc1cc(cc(c1SC[N+](=O)[O-])C)F 62a_100012356666_100000761209 [0,1,0,0,0,0|1,1,1]=4 1849 B14R1.3152 Cc1cc(cc(c1SC[N+](=O)[O-])C)N 62a_100000215964_100000761209 [0,1,0,0,0,0|1,1,1]=4 1850 B14R1.3152 Cc1cc(cc(c1SC[N+](=O)[O-])C)O 62a_100000243743_100000761209 [0,1,0,0,0,0|1,1,1]=4 1851 B14R1.3152 Cc1cc(nc(c1SCC(=O)N)C)N 62a_100000699364_100000747473 [0,1,0,0,0,0|2,1,0]=4 1852 B14R1.3152 Cc1cc(nc(c1SCC(=O)N)C)N 62a_100000747473_100000699364 [0,1,0,0,0,0|2,1,0]=4 1853 B14R1.3152 Cc1cc(nc(c1SCC(=O)[O-])C)N 62a_100000699364_100020667443 [0,1,0,0,0,0|1,1,1]=4 1854 B14R1.3152 Cc1cc(nc(c1SCC(=O)[O-])C)N 62a_100020667443_100000699364 [0,1,0,0,0,0|1,1,1]=4 1855 B14R1.3152 Cc1nc(cc(c1OCC(=O)N)Br)Br 34a_200010233669_100000187820 [0,1,0,0,0,0|3,0,0]=4 1856 B14R1.3152 Cc1nc(cc(c1OCC(=O)N)Br)Br 7a_200010233669_100000187820 [0,1,0,0,0,0|3,0,0]=4 1857 B14R1.3152 Cc1nc(cc(c1OCC(=O)[O-])Br)Br 34a_200010233669_100020667443 [0,1,0,0,0,0|2,0,1]=4 1858 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100000187820 [0,1,0,0,0,0|3,0,0]=4 1859 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100000187820 [0,1,0,0,0,0|3,0,0]=4 1860 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000187820 [0,1,0,0,0,0|3,0,0]=4 1861 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000187820 [0,1,0,0,0,0|3,0,0]=4 1862 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)F 34a_100011216695_100000187820 [0,1,0,0,0,0|3,0,0]=4 1863 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)F 7a_100011216695_100000187820 [0,1,0,0,0,0|3,0,0]=4 1864 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)N 34a_100010781877_100000187820 [0,1,0,0,0,0|3,0,0]=4 1865 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Br)N 7a_100010781877_100000187820 [0,1,0,0,0,0|3,0,0]=4 1866 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000187820 [0,1,0,0,0,0|3,0,0]=4 1867 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000187820 [0,1,0,0,0,0|3,0,0]=4 1868 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000187820 [0,1,0,0,0,0|3,0,0]=4 1869 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000187820 [0,1,0,0,0,0|3,0,0]=4 1870 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100000187820 [0,1,0,0,0,0|3,0,0]=4 1871 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100000187820 [0,1,0,0,0,0|3,0,0]=4 1872 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100000187820 [0,1,0,0,0,0|3,0,0]=4 1873 B14R1.3152 NC(=O)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100000187820 [0,1,0,0,0,0|3,0,0]=4 1874 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)Br 34a_100011215434_100000187820 [0,1,0,0,0,0|3,0,0]=4 1875 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)Br 7a_100011215434_100000187820 [0,1,0,0,0,0|3,0,0]=4 1876 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100000187820 [0,1,0,0,0,0|3,0,0]=4 1877 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100000187820 [0,1,0,0,0,0|3,0,0]=4 1878 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)F 34a_100000688693_100000187820 [0,1,0,0,0,0|3,0,0]=4 1879 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)F 7a_100000688693_100000187820 [0,1,0,0,0,0|3,0,0]=4 1880 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)N 34a_200011217456_100000187820 [0,1,0,0,0,0|3,0,0]=4 1881 B14R1.3152 NC(=O)COc1c(cc(cc1Br)F)N 7a_200011217456_100000187820 [0,1,0,0,0,0|3,0,0]=4 1882 B14R1.3152 NC(=O)COc1c(cc(cc1Br)N)Br 34a_200000186426_100000187820 [0,1,0,0,0,0|3,0,0]=4 1883 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000187820 [0,1,0,0,0,0|3,0,0]=4 1884 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000187820 [0,1,0,0,0,0|3,0,0]=4 1885 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100000187820 [0,1,0,0,0,0|3,0,0]=4 1886 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100000187820 [0,1,0,0,0,0|3,0,0]=4 1887 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)N 34a_100000694353_100000187820 [0,1,0,0,0,0|3,0,0]=4 1888 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Br)N 7a_100000694353_100000187820 [0,1,0,0,0,0|3,0,0]=4 1889 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000187820 [0,1,0,0,0,0|3,0,0]=4 1890 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000187820 [0,1,0,0,0,0|3,0,0]=4 1891 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000187820 [0,1,0,0,0,0|3,0,0]=4 1892 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000187820 [0,1,0,0,0,0|3,0,0]=4 1893 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000187820 [0,1,0,0,0,0|3,0,0]=4 1894 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000187820 [0,1,0,0,0,0|3,0,0]=4 1895 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)F)F 34a_100011935252_100000187820 [0,1,0,0,0,0|3,0,0]=4 1896 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)F)F 7a_100011935252_100000187820 [0,1,0,0,0,0|3,0,0]=4 1897 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000187820 [0,1,0,0,0,0|3,0,0]=4 1898 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000187820 [0,1,0,0,0,0|3,0,0]=4 1899 B14R1.3152 NC(=O)COc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000187820 [0,1,0,0,0,0|3,0,0]=4 1900 B14R1.3152 NC(=O)COc1c(cc(cc1F)Br)F 34a_100011216917_100000187820 [0,1,0,0,0,0|3,0,0]=4 1901 B14R1.3152 NC(=O)COc1c(cc(cc1F)Br)F 7a_100011216917_100000187820 [0,1,0,0,0,0|3,0,0]=4 1902 B14R1.3152 NC(=O)COc1c(cc(cc1F)Br)N 34a_100011217383_100000187820 [0,1,0,0,0,0|3,0,0]=4 1903 B14R1.3152 NC(=O)COc1c(cc(cc1F)Br)N 7a_100011217383_100000187820 [0,1,0,0,0,0|3,0,0]=4 1904 B14R1.3152 NC(=O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100000187820 [0,1,0,0,0,0|3,0,0]=4 1905 B14R1.3152 NC(=O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100000187820 [0,1,0,0,0,0|3,0,0]=4 1906 B14R1.3152 NC(=O)COc1c(cc(cc1F)F)F 34a_100011218396_100000187820 [0,1,0,0,0,0|3,0,0]=4 1907 B14R1.3152 NC(=O)COc1c(cc(cc1F)F)F 7a_100011218396_100000187820 [0,1,0,0,0,0|3,0,0]=4 1908 B14R1.3152 NC(=O)COc1c(cc(cc1F)F)N 34a_100015205836_100000187820 [0,1,0,0,0,0|3,0,0]=4 1909 B14R1.3152 NC(=O)COc1c(cc(cc1F)F)N 7a_100015205836_100000187820 [0,1,0,0,0,0|3,0,0]=4 1910 B14R1.3152 NC(=O)COc1c(cc(cc1F)I)F 34a_200011830255_100000187820 [0,1,0,0,0,0|3,0,0]=4 1911 B14R1.3152 NC(=O)COc1c(cc(cc1F)I)F 7a_200011830255_100000187820 [0,1,0,0,0,0|3,0,0]=4 1912 B14R1.3152 NC(=O)COc1c(cc(cc1F)N)F 34a_100016987357_100000187820 [0,1,0,0,0,0|3,0,0]=4 1913 B14R1.3152 NC(=O)COc1c(cc(cc1F)N)F 7a_100016987357_100000187820 [0,1,0,0,0,0|3,0,0]=4 1914 B14R1.3152 NC(=O)COc1c(cc(cc1I)Br)F 34a_100013354677_100000187820 [0,1,0,0,0,0|3,0,0]=4 1915 B14R1.3152 NC(=O)COc1c(cc(cc1I)Br)F 7a_100013354677_100000187820 [0,1,0,0,0,0|3,0,0]=4 1916 B14R1.3152 NC(=O)COc1c(cc(cc1I)Br)I 7a_100009997433_100000187820 [0,1,0,0,0,0|3,0,0]=4 1917 B14R1.3152 NC(=O)COc1c(cc(cc1I)Br)N 7a_100016071998_100000187820 [0,1,0,0,0,0|3,0,0]=4 1918 B14R1.3152 NC(=O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000187820 [0,1,0,0,0,0|3,0,0]=4 1919 B14R1.3152 NC(=O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000187820 [0,1,0,0,0,0|3,0,0]=4 1920 B14R1.3152 NC(=O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100000187820 [0,1,0,0,0,0|3,0,0]=4 1921 B14R1.3152 NC(=O)COc1c(cc(cc1I)F)Br 34a_200013085147_100000187820 [0,1,0,0,0,0|3,0,0]=4 1922 B14R1.3152 NC(=O)COc1c(cc(cc1I)F)Br 7a_200013085147_100000187820 [0,1,0,0,0,0|3,0,0]=4 1923 B14R1.3152 NC(=O)COc1c(cc(cc1I)F)F 34a_200013204775_100000187820 [0,1,0,0,0,0|3,0,0]=4 1924 B14R1.3152 NC(=O)COc1c(cc(cc1I)F)F 7a_200013204775_100000187820 [0,1,0,0,0,0|3,0,0]=4 1925 B14R1.3152 NC(=O)COc1c(cc(cc1I)I)Cl 7a_100009997439_100000187820 [0,1,0,0,0,0|3,0,0]=4 1926 B14R1.3152 Nc1cc(c(c(c1)Br)OCC(=O)[O-])Br 34a_200000186426_100020667443 [0,1,0,0,0,0|2,0,1]=4 1927 B14R1.3152 Nc1cc(c(c(c1)Cl)OCC(=O)[O-])Cl 34a_100000695418_100020667443 [0,1,0,0,0,0|2,0,1]=4 1928 B14R1.3152 Nc1cc(c(c(c1)F)OCC(=O)[O-])F 34a_100016987357_100020667443 [0,1,0,0,0,0|2,0,1]=4 1929 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])Br)Br 34a_100010781877_100020667443 [0,1,0,0,0,0|2,0,1]=4 1930 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])Br)Cl 34a_106741647128_100020667443 [0,1,0,0,0,0|2,0,1]=4 1931 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])Br)F 34a_200011217456_100020667443 [0,1,0,0,0,0|2,0,1]=4 1932 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])Cl)Br 34a_100000694353_100020667443 [0,1,0,0,0,0|2,0,1]=4 1933 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])Cl)Cl 34a_100000695819_100020667443 [0,1,0,0,0,0|2,0,1]=4 1934 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])F)Br 34a_100011217383_100020667443 [0,1,0,0,0,0|2,0,1]=4 1935 B14R1.3152 Nc1cc(cc(c1OCC(=O)[O-])F)F 34a_100015205836_100020667443 [0,1,0,0,0,0|2,0,1]=4 1936 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Br)Br 34a_100000210219_100020667443 [0,1,0,0,0,0|2,0,1]=4 1937 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100020667443 [0,1,0,0,0,0|2,0,1]=4 1938 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Br)F 34a_100011216695_100020667443 [0,1,0,0,0,0|2,0,1]=4 1939 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100020667443 [0,1,0,0,0,0|2,0,1]=4 1940 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100020667443 [0,1,0,0,0,0|2,0,1]=4 1941 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)Cl)F 34a_100011830412_100020667443 [0,1,0,0,0,0|2,0,1]=4 1942 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)F)Br 34a_100011215434_100020667443 [0,1,0,0,0,0|2,0,1]=4 1943 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)F)Cl 34a_100011830411_100020667443 [0,1,0,0,0,0|2,0,1]=4 1944 B14R1.3152 O=C([O-])COc1c(cc(cc1Br)F)F 34a_100000688693_100020667443 [0,1,0,0,0,0|2,0,1]=4 1945 B14R1.3152 O=C([O-])COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100020667443 [0,1,0,0,0,0|2,0,1]=4 1946 B14R1.3152 O=C([O-])COc1c(cc(cc1Cl)Br)F 34a_100011216646_100020667443 [0,1,0,0,0,0|2,0,1]=4 1947 B14R1.3152 O=C([O-])COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100020667443 [0,1,0,0,0,0|2,0,1]=4 1948 B14R1.3152 O=C([O-])COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100020667443 [0,1,0,0,0,0|2,0,1]=4 1949 B14R1.3152 O=C([O-])COc1c(cc(cc1Cl)F)F 34a_100011935252_100020667443 [0,1,0,0,0,0|2,0,1]=4 1950 B14R1.3152 O=C([O-])COc1c(cc(cc1F)Br)F 34a_100011216917_100020667443 [0,1,0,0,0,0|2,0,1]=4 1951 B14R1.3152 O=C([O-])COc1c(cc(cc1F)Cl)F 34a_100011830429_100020667443 [0,1,0,0,0,0|2,0,1]=4 1952 B14R1.3152 O=C([O-])COc1c(cc(cc1F)F)F 34a_100011218396_100020667443 [0,1,0,0,0,0|2,0,1]=4 1953 B14R1.3152 O=C([O-])COc1c(cc(cc1F)I)F 34a_200011830255_100020667443 [0,1,0,0,0,0|2,0,1]=4 1954 B14R1.3152 O=C([O-])COc1c(cc(cc1I)Br)F 34a_100013354677_100020667443 [0,1,0,0,0,0|2,0,1]=4 1955 B14R1.3152 O=C([O-])COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100020667443 [0,1,0,0,0,0|2,0,1]=4 1956 B14R1.3152 O=C([O-])COc1c(cc(cc1I)F)Br 34a_200013085147_100020667443 [0,1,0,0,0,0|2,0,1]=4 1957 B14R1.3152 O=C([O-])COc1c(cc(cc1I)F)F 34a_200013204775_100020667443 [0,1,0,0,0,0|2,0,1]=4 1958 B14R1.3152 [13CH3]C(=O)COc1c(cc(cc1Cl)Cl)Cl 1458a_100000246012_200025704644 [0,1,0,0,0,0|3,0,0]=4 1959 B14R1.4921 Cc1cccc(c1NCC(C)(C)O)C 34a_100000185769_100000764493 [0,1,0,0,0,0|2,0,1]=4 1960 B14R1.4921 Cc1cccc(c1NCS(=O)(=O)[O-])C 34a_100000185769_100009817235 [0,1,0,0,0,0|2,0,1]=4 1961 B14R1.4921 Cc1cccc(c1OCC(C)(C)C)C 34a_100000210341_100011219605 [0,1,0,0,0,0|2,0,1]=4 1962 B14R1.4921 Cc1cccc(c1OCC(C)(C)F)C 34a_100000210341_100011997219 [0,1,0,0,0,0|2,0,1]=4 1963 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)Br 34a_100009817157_100000764493 [0,1,0,0,0,0|2,0,1]=4 1964 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)Br 7a_100009817157_100000764493 [0,1,0,0,0,0|2,0,1]=4 1965 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)C 34a_100000210341_100000764493 [0,1,0,0,0,0|1,0,1]=3 1966 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)C 7a_100000210341_100000764493 [0,1,0,0,0,0|1,0,1]=3 1967 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)Cl 34a_100000033731_100000764493 [0,1,0,0,0,0|2,0,1]=4 1968 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)Cl 7a_100000033731_100000764493 [0,1,0,0,0,0|2,0,1]=4 1969 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)F 34a_100011659162_100000764493 [0,1,0,0,0,0|2,0,1]=4 1970 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)F 7a_100011659162_100000764493 [0,1,0,0,0,0|2,0,1]=4 1971 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)N 34a_100000756359_100000764493 [0,1,0,0,0,0|2,0,1]=4 1972 B14R1.4921 Cc1cccc(c1OCC(C)(C)O)N 7a_100000756359_100000764493 [0,1,0,0,0,0|2,0,1]=4 1973 B14R1.4921 Cc1cccc(c1OCS(=O)(=O)[O-])Br 34a_100009817157_100009817235 [0,1,0,0,0,0|2,0,1]=4 1974 B14R1.4921 Cc1cccc(c1OCS(=O)(=O)[O-])C 34a_100000210341_100009817235 [0,1,0,0,0,0|1,0,1]=3 1975 B14R1.4921 Cc1cccc(c1OCS(=O)(=O)[O-])Cl 34a_100000033731_100009817235 [0,1,0,0,0,0|2,0,1]=4 1976 B14R1.4921 Cc1cccc(c1OCS(=O)(=O)[O-])F 34a_100011659162_100009817235 [0,1,0,0,0,0|2,0,1]=4 1977 B14R1.4921 Cc1cccc(c1OCS(=O)(=O)[O-])N 34a_100000756359_100009817235 [0,1,0,0,0,0|2,0,1]=4 1978 B14R1.4921 Cc1cccc(c1OC[Si](C)(C)C)C 7a_100000210341_100000233785 [0,1,0,0,0,0|2,1,0]=4 1979 B14R1.4921 Cc1cccc(c1SCC(C)(C)O)C 62a_100000033847_100000764493 [0,1,0,0,0,0|1,1,1]=4 1980 B14R1.4921 Cc1cccc(c1SCC(C)(C)O)C 62a_100000764493_100000033847 [0,1,0,0,0,0|1,1,1]=4 1981 B14R1.4921 Cc1cccc(c1SCS(=O)(=O)N)C 62a_100000033847_100000741382 [0,1,0,0,0,0|1,1,1]=4 1982 B14R1.4921 Cc1cccc(c1SCS(=O)(=O)N)C 62a_100000741382_100000033847 [0,1,0,0,0,0|1,1,1]=4 1983 B14R1.4921 Cc1cccc(c1SCS(=O)(=O)[O-])C 62a_100000033847_100009817235 [0,1,0,0,0,0|1,1,1]=4 1984 B14R1.4921 Cc1cccc(c1SCS(=O)(=O)[O-])C 62a_100009817235_100000033847 [0,1,0,0,0,0|1,1,1]=4 1985 B14R1.4921 Cc1ccnc(c1OCC(C)(C)O)C 34a_100011934651_100000764493 [0,1,0,0,0,0|2,0,1]=4 1986 B14R1.4921 Cc1ccnc(c1OCC(C)(C)O)C 7a_100011934651_100000764493 [0,1,0,0,0,0|2,0,1]=4 1987 B14R1.4921 Cc1ccnc(c1OCS(=O)(=O)[O-])C 34a_100011934651_100009817235 [0,1,0,0,0,0|2,0,1]=4 1988 B14R1.5958 C=C(C)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000748629 [0,1,0,0,0,0|3,0,0]=4 1989 B14R1.5958 C=C(C)CN(C)c1c(cccc1C)C 2230a_100011645471_100000748629 [0,1,0,0,0,0|3,0,0]=4 1990 B14R1.5958 C=C(C)CN(C)c1c(cccc1C)C 269982a_100011645471_100000748629 [0,1,0,0,0,0|3,0,0]=4 1991 B14R1.5958 C=C(C)CN(C)c1c(cccc1C)C 34a_100011645471_100000748629 [0,1,0,0,0,0|3,0,0]=4 1992 B14R1.5958 C=C(F)CC(=O)c1c(cccc1C)C 1458a_100000758298_100009893438 [0,1,0,0,0,0|3,0,0]=4 1993 B14R1.5958 C=C(F)CN(C)c1c(cccc1C)C 2230a_100011645471_100009893438 [0,1,0,0,0,0|3,0,0]=4 1994 B14R1.5958 C=C(F)CN(C)c1c(cccc1C)C 269982a_100011645471_100009893438 [0,1,0,0,0,0|3,0,0]=4 1995 B14R1.5958 C=C(F)CN(C)c1c(cccc1C)C 34a_100011645471_100009893438 [0,1,0,0,0,0|3,0,0]=4 1996 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 11a_100016987977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1997 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 1626a_100016987977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1998 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 240690a_100016987977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1999 B14R1.5958 CC(=O)N[C@@H](C)c1c(cccc1C)C 527a_100016987977_100103153847 [0,1,0,0,0,0|3,0,0]=4 2000 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)Br 1458a_100000701904_100000187820 [0,1,0,0,0,0|3,0,0]=4 2001 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)C 1458a_100000758298_100000187820 [0,1,0,0,0,0|2,0,0]=3 2002 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)Cl 1458a_100000692601_100000187820 [0,1,0,0,0,0|3,0,0]=4 2003 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)F 1458a_100000762013_100000187820 [0,1,0,0,0,0|3,0,0]=4 2004 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)I 1458a_100000688020_100000187820 [0,1,0,0,0,0|3,0,0]=4 2005 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)O 1458a_100011934116_100000187820 [0,1,0,0,0,0|3,0,0]=4 2006 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])Br 1458a_100000701904_100020667443 [0,1,0,0,0,0|2,0,1]=4 2007 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])C 1458a_100000758298_100020667443 [0,1,0,0,0,0|1,0,1]=3 2008 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])Cl 1458a_100000692601_100020667443 [0,1,0,0,0,0|2,0,1]=4 2009 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])F 1458a_100000762013_100020667443 [0,1,0,0,0,0|2,0,1]=4 2010 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])I 1458a_100000688020_100020667443 [0,1,0,0,0,0|2,0,1]=4 2011 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])O 1458a_100011934116_100020667443 [0,1,0,0,0,0|2,0,1]=4 2012 B14R1.5958 Cc1cccc(c1C(=O)CC(C)O)C 1458a_100000758298_100011218427 [0,1,0,0,0,0|2,0,1]=4 2013 B14R1.5958 Cc1cccc(c1C(=O)C[N+](=O)[O-])C 1458a_100000758298_100000761209 [0,1,0,0,0,0|2,0,1]=4 2014 B14R1.5958 Cc1cccc(c1N(C)CC(=O)N)C 2230a_100011645471_100000747473 [0,1,0,0,0,0|2,0,0]=3 2015 B14R1.5958 Cc1cccc(c1N(C)CC(=O)N)C 269982a_100011645471_100000187820 [0,1,0,0,0,0|2,0,0]=3 2016 B14R1.5958 Cc1cccc(c1N(C)CC(=O)N)C 34a_100011645471_100000187820 [0,1,0,0,0,0|2,0,0]=3 2017 B14R1.5958 Cc1cccc(c1N(C)CC(=O)[O-])C 269982a_100011645471_100020667443 [0,1,0,0,0,0|1,0,1]=3 2018 B14R1.5958 Cc1cccc(c1N(C)CC(=O)[O-])C 34a_100011645471_100020667443 [0,1,0,0,0,0|1,0,1]=3 2019 B14R1.5958 Cc1cccc(c1N(C)CC(C)O)C 2230a_100011645471_100011218427 [0,1,0,0,0,0|2,0,1]=4 2020 B14R1.5958 Cc1cccc(c1N(C)CC(C)O)C 269982a_100011645471_100011218427 [0,1,0,0,0,0|2,0,1]=4 2021 B14R1.5958 Cc1cccc(c1N(C)CC(C)O)C 34a_100011645471_100011218427 [0,1,0,0,0,0|2,0,1]=4 2022 B14R1.5958 Cc1cccc(c1N(C)C[C@@H](C)O)C 2230a_100011645471_100009817552 [0,1,0,0,0,0|2,0,1]=4 2023 B14R1.5958 Cc1cccc(c1N(C)C[C@@H](C)O)C 269982a_100011645471_100009817552 [0,1,0,0,0,0|2,0,1]=4 2024 B14R1.5958 Cc1cccc(c1N(C)C[C@@H](C)O)C 34a_100011645471_100009817552 [0,1,0,0,0,0|2,0,1]=4 2025 B14R1.5958 Cc1cccc(c1N(C)C[N+](=O)[O-])C 269982a_100011645471_100000761209 [0,1,0,0,0,0|2,0,1]=4 2026 B14R1.5958 Cc1cccc(c1N(C)C[N+](=O)[O-])C 34a_100011645471_100000761209 [0,1,0,0,0,0|2,0,1]=4 2027 B14R1.5971 CC(=O)C(=O)Nc1c(cccc1C)C 1458a_100000689146_200000210301 [0,1,0,0,0,0|2,0,1]=4 2028 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Br)Br 7a_100000736428_100000179758 [0,1,0,0,0,0|3,0,0]=4 2029 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Br)C 7a_100009817157_100000179758 [0,1,0,0,0,0|2,0,0]=3 2030 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000179758 [0,1,0,0,0,0|3,0,0]=4 2031 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Br)F 7a_100009813666_100000179758 [0,1,0,0,0,0|3,0,0]=4 2032 B14R1.5971 CC(=O)C(C)Oc1c(cccc1C)C 7a_100000210341_100000179758 [0,1,0,0,0,0|1,0,0]=2 2033 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000179758 [0,1,0,0,0,0|2,0,0]=3 2034 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000179758 [0,1,0,0,0,0|3,0,0]=4 2035 B14R1.5971 CC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000179758 [0,1,0,0,0,0|3,0,0]=4 2036 B14R1.5971 CC(=O)C(C)Oc1c(cccc1F)C 7a_100011659162_100000179758 [0,1,0,0,0,0|2,0,0]=3 2037 B14R1.5971 CC(=O)C(C)Oc1c(cccc1F)F 7a_100000230165_100000179758 [0,1,0,0,0,0|3,0,0]=4 2038 B14R1.5971 CC(=O)C(C)Oc1c(cccc1I)Br 7a_100010084509_100000179758 [0,1,0,0,0,0|3,0,0]=4 2039 B14R1.5971 CC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000179758 [0,1,0,0,0,0|3,0,0]=4 2040 B14R1.5971 CC(=O)C(C)Oc1c(cccc1I)F 7a_100010186298_100000179758 [0,1,0,0,0,0|3,0,0]=4 2041 B14R1.5971 CC(=O)C(C)Oc1c(cccc1N)C 7a_100000756359_100000179758 [0,1,0,0,0,0|2,0,0]=3 2042 B14R1.5971 CC(=O)C(C)Oc1c(ccnc1C)C 7a_100011934651_100000179758 [0,1,0,0,0,0|2,0,0]=3 2043 B14R1.5971 CC(=O)C(C)Oc1c(ccnc1Cl)C 7a_100000696282_100000179758 [0,1,0,0,0,0|3,0,0]=4 2044 B14R1.5971 CC(=O)C(C)Oc1c(ncnc1C)C 7a_100009878406_100000179758 [0,1,0,0,0,0|3,0,0]=4 2045 B14R1.5971 CC(=O)C(C)Sc1c(cccc1Br)C 62a_100009814033_100010141302 [0,1,0,0,0,0|2,1,0]=4 2046 B14R1.5971 CC(=O)C(C)Sc1c(cccc1Br)C 62a_100010141302_100009814033 [0,1,0,0,0,0|2,1,0]=4 2047 B14R1.5971 CC(=O)C(C)Sc1c(cccc1C)C 62a_100000033847_100009814033 [0,1,0,0,0,0|1,1,0]=3 2048 B14R1.5971 CC(=O)C(C)Sc1c(cccc1C)C 62a_100009814033_100000033847 [0,1,0,0,0,0|1,1,0]=3 2049 B14R1.5971 CC(=O)C(C)Sc1c(cccc1Cl)C 62a_100000043165_100009814033 [0,1,0,0,0,0|2,1,0]=4 2050 B14R1.5971 CC(=O)C(C)Sc1c(cccc1Cl)C 62a_100009814033_100000043165 [0,1,0,0,0,0|2,1,0]=4 2051 B14R1.5971 CC(=O)C(C)Sc1c(cccc1F)C 62a_100009814033_100011218421 [0,1,0,0,0,0|2,1,0]=4 2052 B14R1.5971 CC(=O)C(C)Sc1c(cccc1F)C 62a_100011218421_100009814033 [0,1,0,0,0,0|2,1,0]=4 2053 B14R1.5971 CC(=O)C(C)Sc1c(cccc1N)C 62a_100000684715_100009814033 [0,1,0,0,0,0|2,1,0]=4 2054 B14R1.5971 CC(=O)C(C)Sc1c(cccc1N)C 62a_100009814033_100000684715 [0,1,0,0,0,0|2,1,0]=4 2055 B14R1.5971 CC(=O)C(C)Sc1c(cccc1O)C 62a_100000686692_100009814033 [0,1,0,0,0,0|2,1,0]=4 2056 B14R1.5971 CC(=O)C(C)Sc1c(cccc1O)C 62a_100009814033_100000686692 [0,1,0,0,0,0|2,1,0]=4 2057 B14R1.5971 CC(=O)C(C)Sc1c(ccnc1C)C 62a_100009814033_100012000501 [0,1,0,0,0,0|2,1,0]=4 2058 B14R1.5971 CC(=O)C(C)Sc1c(ccnc1C)C 62a_100012000501_100009814033 [0,1,0,0,0,0|2,1,0]=4 2059 B14R1.5971 CC(=O)C(C)Sc1c(cncc1C)C 62a_100009814033_100009817138 [0,1,0,0,0,0|2,1,0]=4 2060 B14R1.5971 CC(=O)C(C)Sc1c(cncc1C)C 62a_100009817138_100009814033 [0,1,0,0,0,0|2,1,0]=4 2061 B14R1.5971 CC(Oc1c(cccc1Br)Br)C(=O)N 34a_100000736428_100000702099 [0,1,0,0,0,0|3,0,0]=4 2062 B14R1.5971 CC(Oc1c(cccc1Br)Br)C(=O)N 7a_100000736428_100000702099 [0,1,0,0,0,0|3,0,0]=4 2063 B14R1.5971 CC(Oc1c(cccc1Br)Cl)C(=O)N 34a_100010214474_100000702099 [0,1,0,0,0,0|3,0,0]=4 2064 B14R1.5971 CC(Oc1c(cccc1Br)Cl)C(=O)N 7a_100010214474_100000702099 [0,1,0,0,0,0|3,0,0]=4 2065 B14R1.5971 CC(Oc1c(cccc1Br)F)C(=O)N 34a_100009813666_100000702099 [0,1,0,0,0,0|3,0,0]=4 2066 B14R1.5971 CC(Oc1c(cccc1Br)F)C(=O)N 7a_100009813666_100000702099 [0,1,0,0,0,0|3,0,0]=4 2067 B14R1.5971 CC(Oc1c(cccc1Br)N)C(=O)N 34a_100011934915_100000702099 [0,1,0,0,0,0|3,0,0]=4 2068 B14R1.5971 CC(Oc1c(cccc1Cl)Cl)C(=O)N 34a_100000211709_100000702099 [0,1,0,0,0,0|3,0,0]=4 2069 B14R1.5971 CC(Oc1c(cccc1Cl)Cl)C(=O)N 7a_100000211709_100000702099 [0,1,0,0,0,0|3,0,0]=4 2070 B14R1.5971 CC(Oc1c(cccc1Cl)F)C(=O)N 34a_100000694953_100000702099 [0,1,0,0,0,0|3,0,0]=4 2071 B14R1.5971 CC(Oc1c(cccc1Cl)F)C(=O)N 7a_100000694953_100000702099 [0,1,0,0,0,0|3,0,0]=4 2072 B14R1.5971 CC(Oc1c(cccc1Cl)N)C(=O)N 34a_100000754742_100000702099 [0,1,0,0,0,0|3,0,0]=4 2073 B14R1.5971 CC(Oc1c(cccc1F)F)C(=O)N 34a_100000230165_100000702099 [0,1,0,0,0,0|3,0,0]=4 2074 B14R1.5971 CC(Oc1c(cccc1F)F)C(=O)N 7a_100000230165_100000702099 [0,1,0,0,0,0|3,0,0]=4 2075 B14R1.5971 CC(Oc1c(cccc1F)N)C(=O)N 34a_100011934987_100000702099 [0,1,0,0,0,0|3,0,0]=4 2076 B14R1.5971 CC(Oc1c(cccc1I)Br)C(=O)N 34a_100010084509_100000702099 [0,1,0,0,0,0|3,0,0]=4 2077 B14R1.5971 CC(Oc1c(cccc1I)Br)C(=O)N 7a_100010084509_100000702099 [0,1,0,0,0,0|3,0,0]=4 2078 B14R1.5971 CC(Oc1c(cccc1I)Cl)C(=O)N 34a_100010202889_100000702099 [0,1,0,0,0,0|3,0,0]=4 2079 B14R1.5971 CC(Oc1c(cccc1I)Cl)C(=O)N 7a_100010202889_100000702099 [0,1,0,0,0,0|3,0,0]=4 2080 B14R1.5971 CC(Oc1c(cccc1I)F)C(=O)N 34a_100010186298_100000702099 [0,1,0,0,0,0|3,0,0]=4 2081 B14R1.5971 CC(Oc1c(cccc1I)F)C(=O)N 7a_100010186298_100000702099 [0,1,0,0,0,0|3,0,0]=4 2082 B14R1.5971 CC(Oc1c(cccc1I)N)C(=O)N 34a_100010084371_100000702099 [0,1,0,0,0,0|3,0,0]=4 2083 B14R1.5971 CC(Oc1c(cccc1N)N)C(=O)N 34a_200016994477_100000702099 [0,1,0,0,0,0|3,0,0]=4 2084 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)C 22a_100000185769_100011215815 [0,1,0,0,0,0|2,0,1]=4 2085 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)[13CH3])C 1458a_100000689146_200025704644 [0,1,0,0,0,0|2,0,1]=4 2086 B14R1.5971 Cc1cccc(c1NC(C)C(=O)N)Br 34a_100011834072_100000702099 [0,1,0,0,0,0|3,0,0]=4 2087 B14R1.5971 Cc1cccc(c1NC(C)C(=O)N)C 34a_100000185769_100000702099 [0,1,0,0,0,0|2,0,0]=3 2088 B14R1.5971 Cc1cccc(c1NC(C)C(=O)N)Cl 34a_100000756524_100000702099 [0,1,0,0,0,0|3,0,0]=4 2089 B14R1.5971 Cc1cccc(c1NC(C)C(=O)N)F 34a_100000766463_100000702099 [0,1,0,0,0,0|3,0,0]=4 2090 B14R1.5971 Cc1cccc(c1NC(C)C(=O)N)O 34a_100000743429_100000702099 [0,1,0,0,0,0|3,0,0]=4 2091 B14R1.5971 Cc1cccc(c1NC(F)C(=O)N)Br 34a_100011834072_100009813875 [0,1,0,0,0,0|3,0,0]=4 2092 B14R1.5971 Cc1cccc(c1NC(F)C(=O)N)C 34a_100000185769_100009813875 [0,1,0,0,0,0|2,0,0]=3 2093 B14R1.5971 Cc1cccc(c1NC(F)C(=O)N)Cl 34a_100000756524_100009813875 [0,1,0,0,0,0|3,0,0]=4 2094 B14R1.5971 Cc1cccc(c1NC(F)C(=O)N)F 34a_100000766463_100009813875 [0,1,0,0,0,0|3,0,0]=4 2095 B14R1.5971 Cc1cccc(c1NC(F)C(=O)N)O 34a_100000743429_100009813875 [0,1,0,0,0,0|3,0,0]=4 2096 B14R1.5971 Cc1cccc(c1NC(F)C(=O)[O-])Br 34a_100011834072_100020610796 [0,1,0,0,0,0|2,0,1]=4 2097 B14R1.5971 Cc1cccc(c1NC(F)C(=O)[O-])C 34a_100000185769_100020610796 [0,1,0,0,0,0|1,0,1]=3 2098 B14R1.5971 Cc1cccc(c1NC(F)C(=O)[O-])Cl 34a_100000756524_100020610796 [0,1,0,0,0,0|2,0,1]=4 2099 B14R1.5971 Cc1cccc(c1NC(F)C(=O)[O-])F 34a_100000766463_100020610796 [0,1,0,0,0,0|2,0,1]=4 2100 B14R1.5971 Cc1cccc(c1NC(F)C(=O)[O-])O 34a_100000743429_100020610796 [0,1,0,0,0,0|2,0,1]=4 2101 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)Br 34a_100009817157_100000702099 [0,1,0,0,0,0|2,0,0]=3 2102 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)Br 7a_100009817157_100000702099 [0,1,0,0,0,0|2,0,0]=3 2103 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)C 34a_100000210341_100000702099 [0,1,0,0,0,0|1,0,0]=2 2104 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)C 7a_100000210341_100000702099 [0,1,0,0,0,0|1,0,0]=2 2105 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)Cl 34a_100000033731_100000702099 [0,1,0,0,0,0|2,0,0]=3 2106 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)Cl 7a_100000033731_100000702099 [0,1,0,0,0,0|2,0,0]=3 2107 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)F 34a_100011659162_100000702099 [0,1,0,0,0,0|2,0,0]=3 2108 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)F 7a_100011659162_100000702099 [0,1,0,0,0,0|2,0,0]=3 2109 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)N 34a_100000756359_100000702099 [0,1,0,0,0,0|2,0,0]=3 2110 B14R1.5971 Cc1cccc(c1OC(C)C(=O)N)N 7a_100000756359_100000702099 [0,1,0,0,0,0|2,0,0]=3 2111 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)Br 34a_100009817157_100009813875 [0,1,0,0,0,0|2,0,0]=3 2112 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)Br 7a_100009817157_100009813875 [0,1,0,0,0,0|2,0,0]=3 2113 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)C 34a_100000210341_100009813875 [0,1,0,0,0,0|1,0,0]=2 2114 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)C 7a_100000210341_100009813875 [0,1,0,0,0,0|1,0,0]=2 2115 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)Cl 34a_100000033731_100009813875 [0,1,0,0,0,0|2,0,0]=3 2116 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)Cl 7a_100000033731_100009813875 [0,1,0,0,0,0|2,0,0]=3 2117 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)F 34a_100011659162_100009813875 [0,1,0,0,0,0|2,0,0]=3 2118 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)F 7a_100011659162_100009813875 [0,1,0,0,0,0|2,0,0]=3 2119 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)N 34a_100000756359_100009813875 [0,1,0,0,0,0|2,0,0]=3 2120 B14R1.5971 Cc1cccc(c1OC(F)C(=O)N)N 7a_100000756359_100009813875 [0,1,0,0,0,0|2,0,0]=3 2121 B14R1.5971 Cc1cccc(c1OC(F)C(=O)[O-])Br 34a_100009817157_100020610796 [0,1,0,0,0,0|1,0,1]=3 2122 B14R1.5971 Cc1cccc(c1OC(F)C(=O)[O-])C 34a_100000210341_100020610796 [0,1,0,0,0,0|0,0,1]=2 2123 B14R1.5971 Cc1cccc(c1OC(F)C(=O)[O-])Cl 34a_100000033731_100020610796 [0,1,0,0,0,0|1,0,1]=3 2124 B14R1.5971 Cc1cccc(c1OC(F)C(=O)[O-])F 34a_100011659162_100020610796 [0,1,0,0,0,0|1,0,1]=3 2125 B14R1.5971 Cc1cccc(c1OC(F)C(=O)[O-])N 34a_100000756359_100020610796 [0,1,0,0,0,0|1,0,1]=3 2126 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)Br 62a_100000702099_100010141302 [0,1,0,0,0,0|2,1,0]=4 2127 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)Br 62a_100010141302_100000702099 [0,1,0,0,0,0|2,1,0]=4 2128 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)C 62a_100000033847_100000702099 [0,1,0,0,0,0|1,1,0]=3 2129 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)C 62a_100000702099_100000033847 [0,1,0,0,0,0|1,1,0]=3 2130 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)Cl 62a_100000043165_100000702099 [0,1,0,0,0,0|2,1,0]=4 2131 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)Cl 62a_100000702099_100000043165 [0,1,0,0,0,0|2,1,0]=4 2132 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)F 62a_100000702099_100011218421 [0,1,0,0,0,0|2,1,0]=4 2133 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)F 62a_100011218421_100000702099 [0,1,0,0,0,0|2,1,0]=4 2134 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)N 62a_100000684715_100000702099 [0,1,0,0,0,0|2,1,0]=4 2135 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)N 62a_100000702099_100000684715 [0,1,0,0,0,0|2,1,0]=4 2136 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)O 62a_100000686692_100000702099 [0,1,0,0,0,0|2,1,0]=4 2137 B14R1.5971 Cc1cccc(c1SC(C)C(=O)N)O 62a_100000702099_100000686692 [0,1,0,0,0,0|2,1,0]=4 2138 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)Br 62a_100009813875_100010141302 [0,1,0,0,0,0|2,1,0]=4 2139 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)Br 62a_100010141302_100009813875 [0,1,0,0,0,0|2,1,0]=4 2140 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)C 62a_100000033847_100009813875 [0,1,0,0,0,0|1,1,0]=3 2141 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)C 62a_100009813875_100000033847 [0,1,0,0,0,0|1,1,0]=3 2142 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)Cl 62a_100000043165_100009813875 [0,1,0,0,0,0|2,1,0]=4 2143 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)Cl 62a_100009813875_100000043165 [0,1,0,0,0,0|2,1,0]=4 2144 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)F 62a_100009813875_100011218421 [0,1,0,0,0,0|2,1,0]=4 2145 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)F 62a_100011218421_100009813875 [0,1,0,0,0,0|2,1,0]=4 2146 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)N 62a_100000684715_100009813875 [0,1,0,0,0,0|2,1,0]=4 2147 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)N 62a_100009813875_100000684715 [0,1,0,0,0,0|2,1,0]=4 2148 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)O 62a_100000686692_100009813875 [0,1,0,0,0,0|2,1,0]=4 2149 B14R1.5971 Cc1cccc(c1SC(F)C(=O)N)O 62a_100009813875_100000686692 [0,1,0,0,0,0|2,1,0]=4 2150 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])Br 62a_100010141302_100020610796 [0,1,0,0,0,0|1,1,1]=4 2151 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])Br 62a_100020610796_100010141302 [0,1,0,0,0,0|1,1,1]=4 2152 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])C 62a_100000033847_100020610796 [0,1,0,0,0,0|0,1,1]=3 2153 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])C 62a_100020610796_100000033847 [0,1,0,0,0,0|0,1,1]=3 2154 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])Cl 62a_100000043165_100020610796 [0,1,0,0,0,0|1,1,1]=4 2155 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])Cl 62a_100020610796_100000043165 [0,1,0,0,0,0|1,1,1]=4 2156 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])F 62a_100011218421_100020610796 [0,1,0,0,0,0|1,1,1]=4 2157 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])F 62a_100020610796_100011218421 [0,1,0,0,0,0|1,1,1]=4 2158 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])N 62a_100000684715_100020610796 [0,1,0,0,0,0|1,1,1]=4 2159 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])N 62a_100020610796_100000684715 [0,1,0,0,0,0|1,1,1]=4 2160 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])O 62a_100000686692_100020610796 [0,1,0,0,0,0|1,1,1]=4 2161 B14R1.5971 Cc1cccc(c1SC(F)C(=O)[O-])O 62a_100020610796_100000686692 [0,1,0,0,0,0|1,1,1]=4 2162 B14R1.5971 Cc1ccnc(c1OC(C)C(=O)N)C 34a_100011934651_100000702099 [0,1,0,0,0,0|2,0,0]=3 2163 B14R1.5971 Cc1ccnc(c1OC(C)C(=O)N)C 7a_100011934651_100000702099 [0,1,0,0,0,0|2,0,0]=3 2164 B14R1.5971 Cc1ccnc(c1OC(C)C(=O)N)Cl 34a_100000696282_100000702099 [0,1,0,0,0,0|3,0,0]=4 2165 B14R1.5971 Cc1ccnc(c1OC(C)C(=O)N)Cl 7a_100000696282_100000702099 [0,1,0,0,0,0|3,0,0]=4 2166 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)N)C 34a_100011934651_100009813875 [0,1,0,0,0,0|2,0,0]=3 2167 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)N)C 7a_100011934651_100009813875 [0,1,0,0,0,0|2,0,0]=3 2168 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)N)Cl 34a_100000696282_100009813875 [0,1,0,0,0,0|3,0,0]=4 2169 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)N)Cl 7a_100000696282_100009813875 [0,1,0,0,0,0|3,0,0]=4 2170 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)[O-])C 34a_100011934651_100020610796 [0,1,0,0,0,0|1,0,1]=3 2171 B14R1.5971 Cc1ccnc(c1OC(F)C(=O)[O-])Cl 34a_100000696282_100020610796 [0,1,0,0,0,0|2,0,1]=4 2172 B14R1.5971 Cc1ccnc(c1SC(C)C(=O)N)C 62a_100000702099_100012000501 [0,1,0,0,0,0|2,1,0]=4 2173 B14R1.5971 Cc1ccnc(c1SC(C)C(=O)N)C 62a_100012000501_100000702099 [0,1,0,0,0,0|2,1,0]=4 2174 B14R1.5971 Cc1ccnc(c1SC(F)C(=O)N)C 62a_100009813875_100012000501 [0,1,0,0,0,0|2,1,0]=4 2175 B14R1.5971 Cc1ccnc(c1SC(F)C(=O)N)C 62a_100012000501_100009813875 [0,1,0,0,0,0|2,1,0]=4 2176 B14R1.5971 Cc1ccnc(c1SC(F)C(=O)[O-])C 62a_100012000501_100020610796 [0,1,0,0,0,0|1,1,1]=4 2177 B14R1.5971 Cc1ccnc(c1SC(F)C(=O)[O-])C 62a_100020610796_100012000501 [0,1,0,0,0,0|1,1,1]=4 2178 B14R1.5971 Cc1cncc(c1SC(C)C(=O)N)C 62a_100000702099_100009817138 [0,1,0,0,0,0|2,1,0]=4 2179 B14R1.5971 Cc1cncc(c1SC(C)C(=O)N)C 62a_100009817138_100000702099 [0,1,0,0,0,0|2,1,0]=4 2180 B14R1.5971 Cc1cncc(c1SC(F)C(=O)N)C 62a_100009813875_100009817138 [0,1,0,0,0,0|2,1,0]=4 2181 B14R1.5971 Cc1cncc(c1SC(F)C(=O)N)C 62a_100009817138_100009813875 [0,1,0,0,0,0|2,1,0]=4 2182 B14R1.5971 Cc1cncc(c1SC(F)C(=O)[O-])C 62a_100009817138_100020610796 [0,1,0,0,0,0|1,1,1]=4 2183 B14R1.5971 Cc1cncc(c1SC(F)C(=O)[O-])C 62a_100020610796_100009817138 [0,1,0,0,0,0|1,1,1]=4 2184 B14R1.5971 Cc1ncnc(c1OC(C)C(=O)N)C 34a_100009878406_100000702099 [0,1,0,0,0,0|3,0,0]=4 2185 B14R1.5971 Cc1ncnc(c1OC(C)C(=O)N)C 7a_100009878406_100000702099 [0,1,0,0,0,0|3,0,0]=4 2186 B14R1.5971 Cc1ncnc(c1OC(F)C(=O)N)C 34a_100009878406_100009813875 [0,1,0,0,0,0|3,0,0]=4 2187 B14R1.5971 Cc1ncnc(c1OC(F)C(=O)N)C 7a_100009878406_100009813875 [0,1,0,0,0,0|3,0,0]=4 2188 B14R1.5971 Cc1ncnc(c1OC(F)C(=O)[O-])C 34a_100009878406_100020610796 [0,1,0,0,0,0|2,0,1]=4 2189 B14R1.5971 Cc1occc(=O)c1OC(C)C(=O)N 34a_100000031901_100000702099 [0,1,0,0,0,0|3,0,0]=4 2190 B14R1.5971 Cc1occc(=O)c1OC(F)C(=O)N 34a_100000031901_100009813875 [0,1,0,0,0,0|3,0,0]=4 2191 B14R1.5971 Cc1occc(=O)c1OC(F)C(=O)[O-] 34a_100000031901_100020610796 [0,1,0,0,0,0|2,0,1]=4 2192 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)Br 34a_100000736428_100009813875 [0,1,0,0,0,0|3,0,0]=4 2193 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)Br 7a_100000736428_100009813875 [0,1,0,0,0,0|3,0,0]=4 2194 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)Cl 34a_100010214474_100009813875 [0,1,0,0,0,0|3,0,0]=4 2195 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)Cl 7a_100010214474_100009813875 [0,1,0,0,0,0|3,0,0]=4 2196 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)F 34a_100009813666_100009813875 [0,1,0,0,0,0|3,0,0]=4 2197 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)F 7a_100009813666_100009813875 [0,1,0,0,0,0|3,0,0]=4 2198 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Br)N 34a_100011934915_100009813875 [0,1,0,0,0,0|3,0,0]=4 2199 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Cl)Cl 34a_100000211709_100009813875 [0,1,0,0,0,0|3,0,0]=4 2200 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Cl)Cl 7a_100000211709_100009813875 [0,1,0,0,0,0|3,0,0]=4 2201 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Cl)F 34a_100000694953_100009813875 [0,1,0,0,0,0|3,0,0]=4 2202 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Cl)F 7a_100000694953_100009813875 [0,1,0,0,0,0|3,0,0]=4 2203 B14R1.5971 NC(=O)C(F)Oc1c(cccc1Cl)N 34a_100000754742_100009813875 [0,1,0,0,0,0|3,0,0]=4 2204 B14R1.5971 NC(=O)C(F)Oc1c(cccc1F)F 34a_100000230165_100009813875 [0,1,0,0,0,0|3,0,0]=4 2205 B14R1.5971 NC(=O)C(F)Oc1c(cccc1F)F 7a_100000230165_100009813875 [0,1,0,0,0,0|3,0,0]=4 2206 B14R1.5971 NC(=O)C(F)Oc1c(cccc1F)N 34a_100011934987_100009813875 [0,1,0,0,0,0|3,0,0]=4 2207 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)Br 34a_100010084509_100009813875 [0,1,0,0,0,0|3,0,0]=4 2208 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)Br 7a_100010084509_100009813875 [0,1,0,0,0,0|3,0,0]=4 2209 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)Cl 34a_100010202889_100009813875 [0,1,0,0,0,0|3,0,0]=4 2210 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)Cl 7a_100010202889_100009813875 [0,1,0,0,0,0|3,0,0]=4 2211 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)F 34a_100010186298_100009813875 [0,1,0,0,0,0|3,0,0]=4 2212 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)F 7a_100010186298_100009813875 [0,1,0,0,0,0|3,0,0]=4 2213 B14R1.5971 NC(=O)C(F)Oc1c(cccc1I)N 34a_100010084371_100009813875 [0,1,0,0,0,0|3,0,0]=4 2214 B14R1.5971 NC(=O)C(F)Oc1c(cccc1N)N 34a_200016994477_100009813875 [0,1,0,0,0,0|3,0,0]=4 2215 B14R1.5971 Nc1cccc(c1OC(F)C(=O)[O-])Br 34a_100011934915_100020610796 [0,1,0,0,0,0|2,0,1]=4 2216 B14R1.5971 Nc1cccc(c1OC(F)C(=O)[O-])Cl 34a_100000754742_100020610796 [0,1,0,0,0,0|2,0,1]=4 2217 B14R1.5971 Nc1cccc(c1OC(F)C(=O)[O-])F 34a_100011934987_100020610796 [0,1,0,0,0,0|2,0,1]=4 2218 B14R1.5971 Nc1cccc(c1OC(F)C(=O)[O-])I 34a_100010084371_100020610796 [0,1,0,0,0,0|2,0,1]=4 2219 B14R1.5971 Nc1cccc(c1OC(F)C(=O)[O-])N 34a_200016994477_100020610796 [0,1,0,0,0,0|2,0,1]=4 2220 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1Br)Br 34a_100000736428_100020610796 [0,1,0,0,0,0|2,0,1]=4 2221 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1Br)Cl 34a_100010214474_100020610796 [0,1,0,0,0,0|2,0,1]=4 2222 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1Br)F 34a_100009813666_100020610796 [0,1,0,0,0,0|2,0,1]=4 2223 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1Cl)Cl 34a_100000211709_100020610796 [0,1,0,0,0,0|2,0,1]=4 2224 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1Cl)F 34a_100000694953_100020610796 [0,1,0,0,0,0|2,0,1]=4 2225 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1F)F 34a_100000230165_100020610796 [0,1,0,0,0,0|2,0,1]=4 2226 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1I)Br 34a_100010084509_100020610796 [0,1,0,0,0,0|2,0,1]=4 2227 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1I)Cl 34a_100010202889_100020610796 [0,1,0,0,0,0|2,0,1]=4 2228 B14R1.5971 O=C([O-])C(F)Oc1c(cccc1I)F 34a_100010186298_100020610796 [0,1,0,0,0,0|2,0,1]=4 2229 B14R1.6054 C=C(C)CNc1c(ccc(c1C)Br)C 34a_200010074581_100000748629 [0,1,0,0,0,0|3,0,0]=4 2230 B14R1.6054 C=C(C)CNc1c(ccc(c1C)C)C 2230a_100000117417_100000748629 [0,1,0,0,0,0|3,0,0]=4 2231 B14R1.6054 C=C(C)CNc1c(ccc(c1C)C)C 34a_100000117417_100000748629 [0,1,0,0,0,0|3,0,0]=4 2232 B14R1.6054 C=C(C)CNc1c(ccc(c1C)C)C 7a_100000117417_100000748629 [0,1,0,0,0,0|3,0,0]=4 2233 B14R1.6054 C=C(C)CNc1c(ccc(c1C)Cl)C 2230a_200020642106_100000748629 [0,1,0,0,0,0|3,0,0]=4 2234 B14R1.6054 C=C(C)CNc1c(ccc(c1C)Cl)C 34a_200020642106_100000748629 [0,1,0,0,0,0|3,0,0]=4 2235 B14R1.6054 C=C(C)CNc1c(ccc(c1C)I)C 34a_200010115591_100000748629 [0,1,0,0,0,0|3,0,0]=4 2236 B14R1.6054 C=C(C)COc1c(ccc(c1C)C)C 34a_100000211305_100000748629 [0,1,0,0,0,0|2,0,0]=3 2237 B14R1.6054 C=C(C)COc1c(ccc(c1C)C)C 7a_100000211305_100000748629 [0,1,0,0,0,0|2,0,0]=3 2238 B14R1.6054 C=C(C)COc1c(ccc(c1C)Cl)Br 34a_200010391122_100000748629 [0,1,0,0,0,0|3,0,0]=4 2239 B14R1.6054 C=C(C)COc1c(ccc(c1C)Cl)Br 7a_200010391122_100000748629 [0,1,0,0,0,0|3,0,0]=4 2240 B14R1.6054 C=C(C)COc1c(ccc(c1C)F)Br 34a_200010391124_100000748629 [0,1,0,0,0,0|3,0,0]=4 2241 B14R1.6054 C=C(C)COc1c(ccc(c1C)F)Br 7a_200010391124_100000748629 [0,1,0,0,0,0|3,0,0]=4 2242 B14R1.6054 C=C(C)COc1c(ccc(c1Cl)N)C 34a_100000036876_100000748629 [0,1,0,0,0,0|3,0,0]=4 2243 B14R1.6054 C=C(C)COc1c(ccc(c1Cl)N)C 7a_100000036876_100000748629 [0,1,0,0,0,0|3,0,0]=4 2244 B14R1.6054 C=C(C)CSc1c(ccc(c1C)F)C 62a_100000748629_100011068659 [0,1,0,0,0,0|2,1,0]=4 2245 B14R1.6054 C=C(C)CSc1c(ccc(c1C)F)C 62a_100011068659_100000211660 [0,1,0,0,0,0|2,1,0]=4 2246 B14R1.6054 C=C(C)CSc1c(ccc(c1C)N)C 62a_100000748629_106354213274 [0,1,0,0,0,0|2,1,0]=4 2247 B14R1.6054 C=C(C)CSc1c(ccc(c1C)N)C 62a_106354213274_100000211660 [0,1,0,0,0,0|2,1,0]=4 2248 B14R1.6054 C=C(C)CSc1c(ccc(c1C)O)C 62a_100000748629_100010659238 [0,1,0,0,0,0|2,1,0]=4 2249 B14R1.6054 C=C(C)CSc1c(ccc(c1C)O)C 62a_100010659238_100000211660 [0,1,0,0,0,0|2,1,0]=4 2250 B14R1.6054 C=C(F)CNc1c(ccc(c1C)Br)C 34a_200010074581_100009893438 [0,1,0,0,0,0|3,0,0]=4 2251 B14R1.6054 C=C(F)CNc1c(ccc(c1C)C)C 2230a_100000117417_100009893438 [0,1,0,0,0,0|3,0,0]=4 2252 B14R1.6054 C=C(F)CNc1c(ccc(c1C)C)C 34a_100000117417_100009893438 [0,1,0,0,0,0|3,0,0]=4 2253 B14R1.6054 C=C(F)CNc1c(ccc(c1C)C)C 7a_100000117417_100000042424 [0,1,0,0,0,0|3,0,0]=4 2254 B14R1.6054 C=C(F)CNc1c(ccc(c1C)Cl)C 2230a_200020642106_100009893438 [0,1,0,0,0,0|3,0,0]=4 2255 B14R1.6054 C=C(F)CNc1c(ccc(c1C)Cl)C 34a_200020642106_100009893438 [0,1,0,0,0,0|3,0,0]=4 2256 B14R1.6054 C=C(F)CNc1c(ccc(c1C)I)C 34a_200010115591_100009893438 [0,1,0,0,0,0|3,0,0]=4 2257 B14R1.6054 C=C(F)COc1c(ccc(c1C)C)C 34a_100000211305_100009893438 [0,1,0,0,0,0|2,0,0]=3 2258 B14R1.6054 C=C(F)COc1c(ccc(c1C)C)C 7a_100000211305_100000042424 [0,1,0,0,0,0|2,0,0]=3 2259 B14R1.6054 C=C(F)COc1c(ccc(c1C)Cl)Br 34a_200010391122_100009893438 [0,1,0,0,0,0|3,0,0]=4 2260 B14R1.6054 C=C(F)COc1c(ccc(c1C)Cl)Br 7a_200010391122_100000042424 [0,1,0,0,0,0|3,0,0]=4 2261 B14R1.6054 C=C(F)COc1c(ccc(c1C)F)Br 34a_200010391124_100009893438 [0,1,0,0,0,0|3,0,0]=4 2262 B14R1.6054 C=C(F)COc1c(ccc(c1C)F)Br 7a_200010391124_100000042424 [0,1,0,0,0,0|3,0,0]=4 2263 B14R1.6054 C=C(F)COc1c(ccc(c1Cl)N)C 34a_100000036876_100009893438 [0,1,0,0,0,0|3,0,0]=4 2264 B14R1.6054 C=C(F)COc1c(ccc(c1Cl)N)C 7a_100000036876_100000042424 [0,1,0,0,0,0|3,0,0]=4 2265 B14R1.6054 C=C(F)CSc1c(ccc(c1C)F)C 62a_100000042424_100011068659 [0,1,0,0,0,0|2,1,0]=4 2266 B14R1.6054 C=C(F)CSc1c(ccc(c1C)F)C 62a_100011068659_100000042424 [0,1,0,0,0,0|2,1,0]=4 2267 B14R1.6054 C=C(F)CSc1c(ccc(c1C)N)C 62a_100000042424_106354213274 [0,1,0,0,0,0|2,1,0]=4 2268 B14R1.6054 C=C(F)CSc1c(ccc(c1C)N)C 62a_106354213274_100000042424 [0,1,0,0,0,0|2,1,0]=4 2269 B14R1.6054 C=C(F)CSc1c(ccc(c1C)O)C 62a_100000042424_100010659238 [0,1,0,0,0,0|2,1,0]=4 2270 B14R1.6054 C=C(F)CSc1c(ccc(c1C)O)C 62a_100010659238_100000042424 [0,1,0,0,0,0|2,1,0]=4 2271 B14R1.6054 Cc1c(c(=O)ccn1C)OCC(=O)N 34a_100000032683_100000187820 [0,1,0,0,0,0|3,0,0]=4 2272 B14R1.6054 Cc1c(c(=O)ccn1C)OCC(=O)N 7a_100000032683_100000187820 [0,1,0,0,0,0|3,0,0]=4 2273 B14R1.6054 Cc1c(c(=O)ccn1C)OCC(=O)[O-] 34a_100000032683_100020667443 [0,1,0,0,0,0|2,0,1]=4 2274 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)Br)F 34a_100011009917_100000187820 [0,1,0,0,0,0|3,0,0]=4 2275 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)Cl)Cl 34a_100009961198_100000187820 [0,1,0,0,0,0|3,0,0]=4 2276 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)F)Br 2230a_100010588651_100000747473 [0,1,0,0,0,0|3,0,0]=4 2277 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)F)Br 34a_100010588651_100000187820 [0,1,0,0,0,0|3,0,0]=4 2278 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)O)Br 34a_100013039247_100000187820 [0,1,0,0,0,0|3,0,0]=4 2279 B14R1.6054 Cc1c(ccc(c1NCC(=O)[O-])Br)F 34a_100011009917_100020667443 [0,1,0,0,0,0|2,0,1]=4 2280 B14R1.6054 Cc1c(ccc(c1NCC(=O)[O-])Cl)Cl 34a_100009961198_100020667443 [0,1,0,0,0,0|2,0,1]=4 2281 B14R1.6054 Cc1c(ccc(c1NCC(=O)[O-])F)Br 34a_100010588651_100020667443 [0,1,0,0,0,0|2,0,1]=4 2282 B14R1.6054 Cc1c(ccc(c1NCC(=O)[O-])O)Br 34a_100013039247_100020667443 [0,1,0,0,0,0|2,0,1]=4 2283 B14R1.6054 Cc1c(ccc(c1OCC(=O)N)Br)Cl 34a_200010391122_100000187820 [0,1,0,0,0,0|2,0,0]=3 2284 B14R1.6054 Cc1c(ccc(c1OCC(=O)N)Br)Cl 7a_200010391122_100000187820 [0,1,0,0,0,0|2,0,0]=3 2285 B14R1.6054 Cc1c(ccc(c1OCC(=O)N)Br)F 34a_200010391124_100000187820 [0,1,0,0,0,0|2,0,0]=3 2286 B14R1.6054 Cc1c(ccc(c1OCC(=O)N)Br)F 7a_200010391124_100000187820 [0,1,0,0,0,0|2,0,0]=3 2287 B14R1.6054 Cc1c(ccc(c1OCC(=O)[O-])Br)Cl 34a_200010391122_100020667443 [0,1,0,0,0,0|1,0,1]=3 2288 B14R1.6054 Cc1c(ccc(c1OCC(=O)[O-])Br)F 34a_200010391124_100020667443 [0,1,0,0,0,0|1,0,1]=3 2289 B14R1.6054 Cc1c(ccc(c1OCC(C)O)Br)Cl 34a_200010391122_100011218427 [0,1,0,0,0,0|2,0,1]=4 2290 B14R1.6054 Cc1c(ccc(c1OCC(C)O)Br)Cl 7a_200010391122_100011218427 [0,1,0,0,0,0|2,0,1]=4 2291 B14R1.6054 Cc1c(ccc(c1OCC(C)O)Br)F 34a_200010391124_100011218427 [0,1,0,0,0,0|2,0,1]=4 2292 B14R1.6054 Cc1c(ccc(c1OCC(C)O)Br)F 7a_200010391124_100011218427 [0,1,0,0,0,0|2,0,1]=4 2293 B14R1.6054 Cc1c(ccc(c1OC[C@@H](C)O)Br)Cl 34a_200010391122_100009817552 [0,1,0,0,0,0|2,0,1]=4 2294 B14R1.6054 Cc1c(ccc(c1OC[C@@H](C)O)Br)Cl 7a_200010391122_100009817552 [0,1,0,0,0,0|2,0,1]=4 2295 B14R1.6054 Cc1c(ccc(c1OC[C@@H](C)O)Br)F 34a_200010391124_100009817552 [0,1,0,0,0,0|2,0,1]=4 2296 B14R1.6054 Cc1c(ccc(c1OC[C@@H](C)O)Br)F 7a_200010391124_100009817552 [0,1,0,0,0,0|2,0,1]=4 2297 B14R1.6054 Cc1c(ccc(c1OC[N+](=O)[O-])Br)Cl 34a_200010391122_100000761209 [0,1,0,0,0,0|2,0,1]=4 2298 B14R1.6054 Cc1c(ccc(c1OC[N+](=O)[O-])Br)F 34a_200010391124_100000761209 [0,1,0,0,0,0|2,0,1]=4 2299 B14R1.6054 Cc1c(ccc(c1SCC(=O)N)F)F 62a_100000747473_100010167959 [0,1,0,0,0,0|2,1,0]=4 2300 B14R1.6054 Cc1c(ccc(c1SCC(=O)N)F)F 62a_100010167959_100000747473 [0,1,0,0,0,0|2,1,0]=4 2301 B14R1.6054 Cc1c(ccc(c1SCC(=O)[O-])F)F 62a_100010167959_100020667443 [0,1,0,0,0,0|1,1,1]=4 2302 B14R1.6054 Cc1c(ccc(c1SCC(=O)[O-])F)F 62a_100020667443_100010167959 [0,1,0,0,0,0|1,1,1]=4 2303 B14R1.6054 Cc1ccc(c(c1Br)OCC(=O)N)F 34a_200010223207_100000187820 [0,1,0,0,0,0|3,0,0]=4 2304 B14R1.6054 Cc1ccc(c(c1Br)OCC(=O)N)F 7a_200010223207_100000187820 [0,1,0,0,0,0|3,0,0]=4 2305 B14R1.6054 Cc1ccc(c(c1Br)OCC(=O)[O-])F 34a_200010223207_100020667443 [0,1,0,0,0,0|2,0,1]=4 2306 B14R1.6054 Cc1ccc(c(c1C)NCC(=O)N)C 2230a_100000117417_100000747473 [0,1,0,0,0,0|2,0,0]=3 2307 B14R1.6054 Cc1ccc(c(c1C)NCC(=O)N)C 34a_100000117417_100000187820 [0,1,0,0,0,0|2,0,0]=3 2308 B14R1.6054 Cc1ccc(c(c1C)NCC(=O)N)C 7a_100000117417_100000187820 [0,1,0,0,0,0|2,0,0]=3 2309 B14R1.6054 Cc1ccc(c(c1C)NCC(=O)[O-])C 34a_100000117417_100020667443 [0,1,0,0,0,0|1,0,1]=3 2310 B14R1.6054 Cc1ccc(c(c1C)NCC(C)O)C 2230a_100000117417_100011218427 [0,1,0,0,0,0|2,0,1]=4 2311 B14R1.6054 Cc1ccc(c(c1C)NCC(C)O)C 34a_100000117417_100011218427 [0,1,0,0,0,0|2,0,1]=4 2312 B14R1.6054 Cc1ccc(c(c1C)NCC(C)O)C 7a_100000117417_100011218427 [0,1,0,0,0,0|2,0,1]=4 2313 B14R1.6054 Cc1ccc(c(c1C)NC[C@@H](C)O)C 2230a_100000117417_100009817552 [0,1,0,0,0,0|2,0,1]=4 2314 B14R1.6054 Cc1ccc(c(c1C)NC[C@@H](C)O)C 34a_100000117417_100009817552 [0,1,0,0,0,0|2,0,1]=4 2315 B14R1.6054 Cc1ccc(c(c1C)NC[C@@H](C)O)C 7a_100000117417_100009817552 [0,1,0,0,0,0|2,0,1]=4 2316 B14R1.6054 Cc1ccc(c(c1C)NC[N+](=O)[O-])C 34a_100000117417_100000761209 [0,1,0,0,0,0|2,0,1]=4 2317 B14R1.6054 Cc1ccc(c(c1C)OCC(=O)N)C 34a_100000211305_100000187820 [0,1,0,0,0,0|1,0,0]=2 2318 B14R1.6054 Cc1ccc(c(c1C)OCC(=O)N)C 7a_100000211305_100000187820 [0,1,0,0,0,0|1,0,0]=2 2319 B14R1.6054 Cc1ccc(c(c1C)OCC(=O)[O-])C 34a_100000211305_100020667443 [0,1,0,0,0,0|0,0,1]=2 2320 B14R1.6054 Cc1ccc(c(c1C)OCC(C)C)C 34a_100000211305_100000210624 [0,1,0,0,0,0|2,0,1]=4 2321 B14R1.6054 Cc1ccc(c(c1C)OCC(C)C)C 7a_100000211305_100000210760 [0,1,0,0,0,0|2,0,1]=4 2322 B14R1.6054 Cc1ccc(c(c1C)OCC(C)O)C 34a_100000211305_100011218427 [0,1,0,0,0,0|1,0,1]=3 2323 B14R1.6054 Cc1ccc(c(c1C)OCC(C)O)C 7a_100000211305_100011218427 [0,1,0,0,0,0|1,0,1]=3 2324 B14R1.6054 Cc1ccc(c(c1C)OCC(F)F)C 34a_100000211305_100011934356 [0,1,0,0,0,0|2,0,1]=4 2325 B14R1.6054 Cc1ccc(c(c1C)OCC(F)F)C 7a_100000211305_100011934356 [0,1,0,0,0,0|2,0,1]=4 2326 B14R1.6054 Cc1ccc(c(c1C)OC[C@@H](C)O)C 34a_100000211305_100009817552 [0,1,0,0,0,0|1,0,1]=3 2327 B14R1.6054 Cc1ccc(c(c1C)OC[C@@H](C)O)C 7a_100000211305_100009817552 [0,1,0,0,0,0|1,0,1]=3 2328 B14R1.6054 Cc1ccc(c(c1C)OC[N+](=O)[O-])C 34a_100000211305_100000761209 [0,1,0,0,0,0|1,0,1]=3 2329 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)N)Cl 34a_200000087117_100000187820 [0,1,0,0,0,0|3,0,0]=4 2330 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)N)Cl 7a_200000087117_100000187820 [0,1,0,0,0,0|3,0,0]=4 2331 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)N)F 34a_100000035349_100000187820 [0,1,0,0,0,0|3,0,0]=4 2332 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)N)F 7a_100000035349_100000187820 [0,1,0,0,0,0|3,0,0]=4 2333 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)[O-])Cl 34a_200000087117_100020667443 [0,1,0,0,0,0|2,0,1]=4 2334 B14R1.6054 Cc1ccc(c(c1Cl)OCC(=O)[O-])F 34a_100000035349_100020667443 [0,1,0,0,0,0|2,0,1]=4 2335 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)Br 34a_100000722096_100000187820 [0,1,0,0,0,0|3,0,0]=4 2336 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)Br 7a_100000722096_100000187820 [0,1,0,0,0,0|3,0,0]=4 2337 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)Cl 34a_200000034537_100000187820 [0,1,0,0,0,0|3,0,0]=4 2338 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)Cl 7a_200000034537_100000187820 [0,1,0,0,0,0|3,0,0]=4 2339 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)F 34a_100011216644_100000187820 [0,1,0,0,0,0|3,0,0]=4 2340 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)N)F 7a_100011216644_100000187820 [0,1,0,0,0,0|3,0,0]=4 2341 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)[O-])Br 34a_100000722096_100020667443 [0,1,0,0,0,0|2,0,1]=4 2342 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)[O-])Cl 34a_200000034537_100020667443 [0,1,0,0,0,0|2,0,1]=4 2343 B14R1.6054 Cc1ccc(c(c1F)OCC(=O)[O-])F 34a_100011216644_100020667443 [0,1,0,0,0,0|2,0,1]=4 2344 B14R1.6054 Cc1ccc(c(c1NCC(=O)N)C)Br 34a_200010074581_100000187820 [0,1,0,0,0,0|2,0,0]=3 2345 B14R1.6054 Cc1ccc(c(c1NCC(=O)N)C)Cl 2230a_200020642106_100000747473 [0,1,0,0,0,0|2,0,0]=3 2346 B14R1.6054 Cc1ccc(c(c1NCC(=O)N)C)Cl 34a_200020642106_100000187820 [0,1,0,0,0,0|2,0,0]=3 2347 B14R1.6054 Cc1ccc(c(c1NCC(=O)N)C)I 34a_200010115591_100000187820 [0,1,0,0,0,0|2,0,0]=3 2348 B14R1.6054 Cc1ccc(c(c1NCC(=O)[O-])C)Br 34a_200010074581_100020667443 [0,1,0,0,0,0|1,0,1]=3 2349 B14R1.6054 Cc1ccc(c(c1NCC(=O)[O-])C)Cl 34a_200020642106_100020667443 [0,1,0,0,0,0|1,0,1]=3 2350 B14R1.6054 Cc1ccc(c(c1NCC(=O)[O-])C)I 34a_200010115591_100020667443 [0,1,0,0,0,0|1,0,1]=3 2351 B14R1.6054 Cc1ccc(c(c1NCC(C)O)C)Br 34a_200010074581_100011218427 [0,1,0,0,0,0|2,0,1]=4 2352 B14R1.6054 Cc1ccc(c(c1NCC(C)O)C)Cl 2230a_200020642106_100011218427 [0,1,0,0,0,0|2,0,1]=4 2353 B14R1.6054 Cc1ccc(c(c1NCC(C)O)C)Cl 34a_200020642106_100011218427 [0,1,0,0,0,0|2,0,1]=4 2354 B14R1.6054 Cc1ccc(c(c1NCC(C)O)C)I 34a_200010115591_100011218427 [0,1,0,0,0,0|2,0,1]=4 2355 B14R1.6054 Cc1ccc(c(c1NC[C@@H](C)O)C)Br 34a_200010074581_100009817552 [0,1,0,0,0,0|2,0,1]=4 2356 B14R1.6054 Cc1ccc(c(c1NC[C@@H](C)O)C)Cl 2230a_200020642106_100009817552 [0,1,0,0,0,0|2,0,1]=4 2357 B14R1.6054 Cc1ccc(c(c1NC[C@@H](C)O)C)Cl 34a_200020642106_100009817552 [0,1,0,0,0,0|2,0,1]=4 2358 B14R1.6054 Cc1ccc(c(c1NC[C@@H](C)O)C)I 34a_200010115591_100009817552 [0,1,0,0,0,0|2,0,1]=4 2359 B14R1.6054 Cc1ccc(c(c1NC[N+](=O)[O-])C)Br 34a_200010074581_100000761209 [0,1,0,0,0,0|2,0,1]=4 2360 B14R1.6054 Cc1ccc(c(c1NC[N+](=O)[O-])C)Cl 34a_200020642106_100000761209 [0,1,0,0,0,0|2,0,1]=4 2361 B14R1.6054 Cc1ccc(c(c1NC[N+](=O)[O-])C)I 34a_200010115591_100000761209 [0,1,0,0,0,0|2,0,1]=4 2362 B14R1.6054 Cc1ccc(c(c1OCC(=O)N)Cl)N 34a_100000036876_100000187820 [0,1,0,0,0,0|2,0,0]=3 2363 B14R1.6054 Cc1ccc(c(c1OCC(=O)N)Cl)N 7a_100000036876_100000187820 [0,1,0,0,0,0|2,0,0]=3 2364 B14R1.6054 Cc1ccc(c(c1OCC(=O)[O-])Cl)N 34a_100000036876_100020667443 [0,1,0,0,0,0|1,0,1]=3 2365 B14R1.6054 Cc1ccc(c(c1OCC(C)O)Cl)N 34a_100000036876_100011218427 [0,1,0,0,0,0|2,0,1]=4 2366 B14R1.6054 Cc1ccc(c(c1OCC(C)O)Cl)N 7a_100000036876_100011218427 [0,1,0,0,0,0|2,0,1]=4 2367 B14R1.6054 Cc1ccc(c(c1OC[C@@H](C)O)Cl)N 34a_100000036876_100009817552 [0,1,0,0,0,0|2,0,1]=4 2368 B14R1.6054 Cc1ccc(c(c1OC[C@@H](C)O)Cl)N 7a_100000036876_100009817552 [0,1,0,0,0,0|2,0,1]=4 2369 B14R1.6054 Cc1ccc(c(c1OC[N+](=O)[O-])Cl)N 34a_100000036876_100000761209 [0,1,0,0,0,0|2,0,1]=4 2370 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)F 62a_100000747473_100011068659 [0,1,0,0,0,0|1,1,0]=3 2371 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)F 62a_100011068659_100000747473 [0,1,0,0,0,0|1,1,0]=3 2372 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)N 62a_100000747473_106354213274 [0,1,0,0,0,0|1,1,0]=3 2373 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)N 62a_106354213274_100000747473 [0,1,0,0,0,0|1,1,0]=3 2374 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)O 62a_100000747473_100010659238 [0,1,0,0,0,0|1,1,0]=3 2375 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)O 62a_100010659238_100000747473 [0,1,0,0,0,0|1,1,0]=3 2376 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)O)F 62a_100000747473_200010223207 [0,1,0,0,0,0|2,1,0]=4 2377 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)O)F 62a_200010223207_100000747473 [0,1,0,0,0,0|2,1,0]=4 2378 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)F 62a_100011068659_100020667443 [0,1,0,0,0,0|0,1,1]=3 2379 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)F 62a_100020667443_100011068659 [0,1,0,0,0,0|0,1,1]=3 2380 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)N 62a_100020667443_106354213274 [0,1,0,0,0,0|0,1,1]=3 2381 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)N 62a_106354213274_100020667443 [0,1,0,0,0,0|0,1,1]=3 2382 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)O 62a_100010659238_100020667443 [0,1,0,0,0,0|0,1,1]=3 2383 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)O 62a_100020667443_100010659238 [0,1,0,0,0,0|0,1,1]=3 2384 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])O)F 62a_100020667443_200010223207 [0,1,0,0,0,0|1,1,1]=4 2385 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])O)F 62a_200010223207_100020667443 [0,1,0,0,0,0|1,1,1]=4 2386 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)F 62a_100011068659_100011218427 [0,1,0,0,0,0|1,1,1]=4 2387 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)F 62a_100011218427_100011068659 [0,1,0,0,0,0|1,1,1]=4 2388 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)N 62a_100011218427_106354213274 [0,1,0,0,0,0|1,1,1]=4 2389 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)N 62a_106354213274_100011218427 [0,1,0,0,0,0|1,1,1]=4 2390 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)O 62a_100010659238_100011218427 [0,1,0,0,0,0|1,1,1]=4 2391 B14R1.6054 Cc1ccc(c(c1SCC(C)O)C)O 62a_100011218427_100010659238 [0,1,0,0,0,0|1,1,1]=4 2392 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)F 62a_100009817552_100011068659 [0,1,0,0,0,0|1,1,1]=4 2393 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)F 62a_100011068659_100009817552 [0,1,0,0,0,0|1,1,1]=4 2394 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)N 62a_100009817552_106354213274 [0,1,0,0,0,0|1,1,1]=4 2395 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)N 62a_106354213274_100009817552 [0,1,0,0,0,0|1,1,1]=4 2396 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)O 62a_100009817552_100010659238 [0,1,0,0,0,0|1,1,1]=4 2397 B14R1.6054 Cc1ccc(c(c1SC[C@@H](C)O)C)O 62a_100010659238_100009817552 [0,1,0,0,0,0|1,1,1]=4 2398 B14R1.6054 Cc1ccc(c(c1SC[N+](=O)[O-])C)F 62a_100011068659_100000761209 [0,1,0,0,0,0|1,1,1]=4 2399 B14R1.6054 Cc1ccc(c(c1SC[N+](=O)[O-])C)N 62a_106354213274_100000761209 [0,1,0,0,0,0|1,1,1]=4 2400 B14R1.6054 Cc1ccc(c(c1SC[N+](=O)[O-])C)O 62a_100010659238_100000761209 [0,1,0,0,0,0|1,1,1]=4 2401 B14R1.6054 Cc1cnc(c(c1SCC(=O)N)C)F 62a_100000747473_100011016222 [0,1,0,0,0,0|2,1,0]=4 2402 B14R1.6054 Cc1cnc(c(c1SCC(=O)N)C)F 62a_100011016222_100000747473 [0,1,0,0,0,0|2,1,0]=4 2403 B14R1.6054 Cc1cnc(c(c1SCC(=O)[O-])C)F 62a_100011016222_100020667443 [0,1,0,0,0,0|1,1,1]=4 2404 B14R1.6054 Cc1cnc(c(c1SCC(=O)[O-])C)F 62a_100020667443_100011016222 [0,1,0,0,0,0|1,1,1]=4 2405 B14R1.6054 Cc1ncc(c(c1SCC(=O)N)C)N 62a_100000747473_100012352430 [0,1,0,0,0,0|2,1,0]=4 2406 B14R1.6054 Cc1ncc(c(c1SCC(=O)N)C)N 62a_100012352430_100000747473 [0,1,0,0,0,0|2,1,0]=4 2407 B14R1.6054 Cc1ncc(c(c1SCC(=O)[O-])C)N 62a_100012352430_100020667443 [0,1,0,0,0,0|1,1,1]=4 2408 B14R1.6054 Cc1ncc(c(c1SCC(=O)[O-])C)N 62a_100020667443_100012352430 [0,1,0,0,0,0|1,1,1]=4 2409 B14R1.6054 NC(=O)COc1c(ccc(c1Br)F)F 34a_100010170822_100000187820 [0,1,0,0,0,0|3,0,0]=4 2410 B14R1.6054 NC(=O)COc1c(ccc(c1Br)F)F 7a_100010170822_100000187820 [0,1,0,0,0,0|3,0,0]=4 2411 B14R1.6054 NC(=O)COc1c(ccc(c1Br)F)N 34a_100010128263_100000187820 [0,1,0,0,0,0|3,0,0]=4 2412 B14R1.6054 NC(=O)COc1c(ccc(c1Br)F)N 7a_100010128263_100000187820 [0,1,0,0,0,0|3,0,0]=4 2413 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100000187820 [0,1,0,0,0,0|3,0,0]=4 2414 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100000187820 [0,1,0,0,0,0|3,0,0]=4 2415 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100000187820 [0,1,0,0,0,0|3,0,0]=4 2416 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100000187820 [0,1,0,0,0,0|3,0,0]=4 2417 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Cl)F 34a_100000062035_100000187820 [0,1,0,0,0,0|3,0,0]=4 2418 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)Cl)F 7a_100000062035_100000187820 [0,1,0,0,0,0|3,0,0]=4 2419 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)F)Br 34a_100014979575_100000187820 [0,1,0,0,0,0|3,0,0]=4 2420 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)F)Br 7a_100014979575_100000187820 [0,1,0,0,0,0|3,0,0]=4 2421 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)F)F 34a_100000038336_100000187820 [0,1,0,0,0,0|3,0,0]=4 2422 B14R1.6054 NC(=O)COc1c(ccc(c1Cl)F)F 7a_100000038336_100000187820 [0,1,0,0,0,0|3,0,0]=4 2423 B14R1.6054 NC(=O)COc1c(ccc(c1F)Br)Cl 34a_100010240321_100000187820 [0,1,0,0,0,0|3,0,0]=4 2424 B14R1.6054 NC(=O)COc1c(ccc(c1F)Br)Cl 7a_100010240321_100000187820 [0,1,0,0,0,0|3,0,0]=4 2425 B14R1.6054 NC(=O)COc1c(ccc(c1F)Br)F 34a_100010167067_100000187820 [0,1,0,0,0,0|3,0,0]=4 2426 B14R1.6054 NC(=O)COc1c(ccc(c1F)Br)F 7a_100010167067_100000187820 [0,1,0,0,0,0|3,0,0]=4 2427 B14R1.6054 NC(=O)COc1c(ccc(c1F)Cl)Br 34a_100010081130_100000187820 [0,1,0,0,0,0|3,0,0]=4 2428 B14R1.6054 NC(=O)COc1c(ccc(c1F)Cl)Br 7a_100010081130_100000187820 [0,1,0,0,0,0|3,0,0]=4 2429 B14R1.6054 NC(=O)COc1c(ccc(c1F)Cl)F 34a_100000034634_100000187820 [0,1,0,0,0,0|3,0,0]=4 2430 B14R1.6054 NC(=O)COc1c(ccc(c1F)Cl)F 7a_100000034634_100000187820 [0,1,0,0,0,0|3,0,0]=4 2431 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)Br 34a_100010243909_100000187820 [0,1,0,0,0,0|3,0,0]=4 2432 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)Br 7a_100010243909_100000187820 [0,1,0,0,0,0|3,0,0]=4 2433 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)F 34a_100000031686_100000187820 [0,1,0,0,0,0|3,0,0]=4 2434 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)F 7a_100000031686_100000187820 [0,1,0,0,0,0|3,0,0]=4 2435 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)N 34a_100015205010_100000187820 [0,1,0,0,0,0|3,0,0]=4 2436 B14R1.6054 NC(=O)COc1c(ccc(c1F)F)N 7a_100015205010_100000187820 [0,1,0,0,0,0|3,0,0]=4 2437 B14R1.6054 NC(=O)COc1c(ccc(c1F)I)Br 34a_200010782288_100000187820 [0,1,0,0,0,0|3,0,0]=4 2438 B14R1.6054 NC(=O)COc1c(ccc(c1F)I)Br 7a_200010782288_100000187820 [0,1,0,0,0,0|3,0,0]=4 2439 B14R1.6054 Nc1ccc(c(c1OCC(=O)[O-])Br)F 34a_100010128263_100020667443 [0,1,0,0,0,0|2,0,1]=4 2440 B14R1.6054 Nc1ccc(c(c1OCC(=O)[O-])F)F 34a_100015205010_100020667443 [0,1,0,0,0,0|2,0,1]=4 2441 B14R1.6054 O=C([O-])COc1c(ccc(c1Br)F)F 34a_100010170822_100020667443 [0,1,0,0,0,0|2,0,1]=4 2442 B14R1.6054 O=C([O-])COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100020667443 [0,1,0,0,0,0|2,0,1]=4 2443 B14R1.6054 O=C([O-])COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100020667443 [0,1,0,0,0,0|2,0,1]=4 2444 B14R1.6054 O=C([O-])COc1c(ccc(c1Cl)Cl)F 34a_100000062035_100020667443 [0,1,0,0,0,0|2,0,1]=4 2445 B14R1.6054 O=C([O-])COc1c(ccc(c1Cl)F)Br 34a_100014979575_100020667443 [0,1,0,0,0,0|2,0,1]=4 2446 B14R1.6054 O=C([O-])COc1c(ccc(c1Cl)F)F 34a_100000038336_100020667443 [0,1,0,0,0,0|2,0,1]=4 2447 B14R1.6054 O=C([O-])COc1c(ccc(c1F)Br)Cl 34a_100010240321_100020667443 [0,1,0,0,0,0|2,0,1]=4 2448 B14R1.6054 O=C([O-])COc1c(ccc(c1F)Br)F 34a_100010167067_100020667443 [0,1,0,0,0,0|2,0,1]=4 2449 B14R1.6054 O=C([O-])COc1c(ccc(c1F)Cl)Br 34a_100010081130_100020667443 [0,1,0,0,0,0|2,0,1]=4 2450 B14R1.6054 O=C([O-])COc1c(ccc(c1F)Cl)F 34a_100000034634_100020667443 [0,1,0,0,0,0|2,0,1]=4 2451 B14R1.6054 O=C([O-])COc1c(ccc(c1F)F)Br 34a_100010243909_100020667443 [0,1,0,0,0,0|2,0,1]=4 2452 B14R1.6054 O=C([O-])COc1c(ccc(c1F)F)F 34a_100000031686_100020667443 [0,1,0,0,0,0|2,0,1]=4 2453 B14R1.6054 O=C([O-])COc1c(ccc(c1F)I)Br 34a_200010782288_100020667443 [0,1,0,0,0,0|2,0,1]=4 2454 B14R1.19598 C=C(C#N)CNc1c(cccc1C)C 34a_100000185769_100000694840 [0,1,0,0,0,0|3,0,0]=4 2455 B14R1.19598 C=C(C#N)COc1c(cccc1Br)C 34a_100009817157_100000694840 [0,1,0,0,0,0|3,0,0]=4 2456 B14R1.19598 C=C(C#N)COc1c(cccc1C)C 34a_100000210341_100000694840 [0,1,0,0,0,0|2,0,0]=3 2457 B14R1.19598 C=C(C#N)COc1c(cccc1Cl)C 34a_100000033731_100000694840 [0,1,0,0,0,0|3,0,0]=4 2458 B14R1.19598 C=C(C#N)COc1c(cccc1F)C 34a_100011659162_100000694840 [0,1,0,0,0,0|3,0,0]=4 2459 B14R1.19598 C=C(C#N)COc1c(cccc1N)C 34a_100000756359_100000694840 [0,1,0,0,0,0|3,0,0]=4 2460 B14R1.19598 C=C(C#N)COc1c(ccnc1C)C 34a_100011934651_100000694840 [0,1,0,0,0,0|3,0,0]=4 2461 B14R1.19598 C=C(C#N)CSc1c(cccc1C)C 62a_100000033847_100000694840 [0,1,0,0,0,0|2,1,0]=4 2462 B14R1.19598 C=CC(=O)NCc1c(cccc1C)C 1626a_100000689800_100000185746 [0,1,0,0,0,0|3,0,0]=4 2463 B14R1.19598 C=CC(=O)NCc1c(cccc1C)C 240690a_100000689800_200121576911 [0,1,0,0,0,0|3,0,0]=4 2464 B14R1.19598 C=CC(=O)NNc1c(cccc1C)C 22a_100016987787_100000185746 [0,1,0,0,0,0|3,0,0]=4 2465 B14R1.19598 C=CC(O)CNc1c(cccc1C)C 34a_100000185769_100000730141 [0,1,0,0,0,0|2,0,1]=4 2466 B14R1.19598 C=CC(O)COc1c(cccc1Br)C 34a_100009817157_100000730141 [0,1,0,0,0,0|2,0,1]=4 2467 B14R1.19598 C=CC(O)COc1c(cccc1Br)C 7a_100009817157_100000730141 [0,1,0,0,0,0|2,0,1]=4 2468 B14R1.19598 C=CC(O)COc1c(cccc1C)C 34a_100000210341_100000730141 [0,1,0,0,0,0|1,0,1]=3 2469 B14R1.19598 C=CC(O)COc1c(cccc1C)C 7a_100000210341_100000730141 [0,1,0,0,0,0|1,0,1]=3 2470 B14R1.19598 C=CC(O)COc1c(cccc1Cl)C 34a_100000033731_100000730141 [0,1,0,0,0,0|2,0,1]=4 2471 B14R1.19598 C=CC(O)COc1c(cccc1Cl)C 7a_100000033731_100000730141 [0,1,0,0,0,0|2,0,1]=4 2472 B14R1.19598 C=CC(O)COc1c(cccc1F)C 34a_100011659162_100000730141 [0,1,0,0,0,0|2,0,1]=4 2473 B14R1.19598 C=CC(O)COc1c(cccc1F)C 7a_100011659162_100000730141 [0,1,0,0,0,0|2,0,1]=4 2474 B14R1.19598 C=CC(O)COc1c(cccc1N)C 34a_100000756359_100000730141 [0,1,0,0,0,0|2,0,1]=4 2475 B14R1.19598 C=CC(O)COc1c(cccc1N)C 7a_100000756359_100000730141 [0,1,0,0,0,0|2,0,1]=4 2476 B14R1.19598 C=CC(O)COc1c(ccnc1C)C 34a_100011934651_100000730141 [0,1,0,0,0,0|2,0,1]=4 2477 B14R1.19598 C=CC(O)COc1c(ccnc1C)C 7a_100011934651_100000730141 [0,1,0,0,0,0|2,0,1]=4 2478 B14R1.19598 C=CC(O)CSc1c(cccc1C)C 62a_100000033847_100000730141 [0,1,0,0,0,0|1,1,1]=4 2479 B14R1.19598 C=CC(O)CSc1c(cccc1C)C 62a_100000730141_100000033847 [0,1,0,0,0,0|1,1,1]=4 2480 B14R1.19598 CC(=NNc1c(cccc1C)C)CO 4a_100016987787_100000211253 [0,1,0,0,0,0|3,0,0]=4 2481 B14R1.19598 CCC(=O)CCc1c(cccc1C)C 1458a_200011998103_100000210202 [0,1,0,0,0,0|2,0,0]=3 2482 B14R1.19598 CCC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000747405 [0,1,0,0,0,0|3,0,0]=4 2483 B14R1.19598 CCC(=O)COc1c(cccc1Br)C 7a_100009817157_100000747405 [0,1,0,0,0,0|2,0,0]=3 2484 B14R1.19598 CCC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000747405 [0,1,0,0,0,0|3,0,0]=4 2485 B14R1.19598 CCC(=O)COc1c(cccc1Br)F 7a_100009813666_100000747405 [0,1,0,0,0,0|3,0,0]=4 2486 B14R1.19598 CCC(=O)COc1c(cccc1C)C 1458a_100000184085_100000210202 [0,1,0,0,0,0|1,0,0]=2 2487 B14R1.19598 CCC(=O)COc1c(cccc1C)C 7a_100000210341_100000747405 [0,1,0,0,0,0|1,0,0]=2 2488 B14R1.19598 CCC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000747405 [0,1,0,0,0,0|2,0,0]=3 2489 B14R1.19598 CCC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_100000210202 [0,1,0,0,0,0|3,0,0]=4 2490 B14R1.19598 CCC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000747405 [0,1,0,0,0,0|3,0,0]=4 2491 B14R1.19598 CCC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000747405 [0,1,0,0,0,0|3,0,0]=4 2492 B14R1.19598 CCC(=O)COc1c(cccc1F)C 7a_100011659162_100000747405 [0,1,0,0,0,0|2,0,0]=3 2493 B14R1.19598 CCC(=O)COc1c(cccc1F)F 7a_100000230165_100000747405 [0,1,0,0,0,0|3,0,0]=4 2494 B14R1.19598 CCC(=O)COc1c(cccc1I)Br 7a_100010084509_100000747405 [0,1,0,0,0,0|3,0,0]=4 2495 B14R1.19598 CCC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000747405 [0,1,0,0,0,0|3,0,0]=4 2496 B14R1.19598 CCC(=O)COc1c(cccc1I)F 7a_100010186298_100000747405 [0,1,0,0,0,0|3,0,0]=4 2497 B14R1.19598 CCC(=O)COc1c(cccc1N)C 7a_100000756359_100000747405 [0,1,0,0,0,0|2,0,0]=3 2498 B14R1.19598 CCC(=O)COc1c(ccnc1C)C 7a_100011934651_100000747405 [0,1,0,0,0,0|2,0,0]=3 2499 B14R1.19598 CCC(=O)COc1c(ccnc1Cl)C 7a_100000696282_100000747405 [0,1,0,0,0,0|3,0,0]=4 2500 B14R1.19598 CCC(=O)COc1c(ncnc1C)C 7a_100009878406_100000747405 [0,1,0,0,0,0|3,0,0]=4 2501 B14R1.19598 CCC(=O)CSc1c(cccc1Br)C 62a_100000747405_100010141302 [0,1,0,0,0,0|2,1,0]=4 2502 B14R1.19598 CCC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000747405 [0,1,0,0,0,0|2,1,0]=4 2503 B14R1.19598 CCC(=O)CSc1c(cccc1C)C 62a_100000033847_100000747405 [0,1,0,0,0,0|1,1,0]=3 2504 B14R1.19598 CCC(=O)CSc1c(cccc1C)C 62a_100000747405_100000033847 [0,1,0,0,0,0|1,1,0]=3 2505 B14R1.19598 CCC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000747405 [0,1,0,0,0,0|2,1,0]=4 2506 B14R1.19598 CCC(=O)CSc1c(cccc1Cl)C 62a_100000747405_100000043165 [0,1,0,0,0,0|2,1,0]=4 2507 B14R1.19598 CCC(=O)CSc1c(cccc1F)C 62a_100000747405_100011218421 [0,1,0,0,0,0|2,1,0]=4 2508 B14R1.19598 CCC(=O)CSc1c(cccc1F)C 62a_100011218421_100000747405 [0,1,0,0,0,0|2,1,0]=4 2509 B14R1.19598 CCC(=O)CSc1c(cccc1N)C 62a_100000684715_100000747405 [0,1,0,0,0,0|2,1,0]=4 2510 B14R1.19598 CCC(=O)CSc1c(cccc1N)C 62a_100000747405_100000684715 [0,1,0,0,0,0|2,1,0]=4 2511 B14R1.19598 CCC(=O)CSc1c(cccc1O)C 62a_100000686692_100000747405 [0,1,0,0,0,0|2,1,0]=4 2512 B14R1.19598 CCC(=O)CSc1c(cccc1O)C 62a_100000747405_100000686692 [0,1,0,0,0,0|2,1,0]=4 2513 B14R1.19598 CCC(=O)CSc1c(ccnc1C)C 62a_100000747405_100012000501 [0,1,0,0,0,0|2,1,0]=4 2514 B14R1.19598 CCC(=O)CSc1c(ccnc1C)C 62a_100012000501_100000747405 [0,1,0,0,0,0|2,1,0]=4 2515 B14R1.19598 CCC(=O)CSc1c(cncc1C)C 62a_100000747405_100009817138 [0,1,0,0,0,0|2,1,0]=4 2516 B14R1.19598 CCC(=O)CSc1c(cncc1C)C 62a_100009817138_100000747405 [0,1,0,0,0,0|2,1,0]=4 2517 B14R1.19598 CCC(=O)NCc1c(cccc1C)C 11a_100000689800_100000210414 [0,1,0,0,0,0|3,0,0]=4 2518 B14R1.19598 CCC(=O)NCc1c(cccc1C)C 1626a_100000689800_100000210414 [0,1,0,0,0,0|3,0,0]=4 2519 B14R1.19598 CCC(=O)NCc1c(cccc1C)C 240690a_100000689800_100000210414 [0,1,0,0,0,0|3,0,0]=4 2520 B14R1.19598 CCC(=O)NCc1c(cccc1C)C 527a_100000689800_100000210414 [0,1,0,0,0,0|3,0,0]=4 2521 B14R1.19598 CCC(=O)NNc1c(cccc1C)C 22a_100016987787_100000210414 [0,1,0,0,0,0|3,0,0]=4 2522 B14R1.19598 CCC(C)COc1c(cccc1C)C 34a_100000210341_100000748023 [0,1,0,0,0,0|2,0,1]=4 2523 B14R1.19598 CCC(C)COc1c(cccc1C)C 7a_100000210341_100000748023 [0,1,0,0,0,0|2,0,1]=4 2524 B14R1.19598 CCC(O)CNc1c(cccc1C)C 34a_100000185769_100011218378 [0,1,0,0,0,0|2,0,1]=4 2525 B14R1.19598 CCC(O)COc1c(cccc1Br)C 34a_100009817157_100011218378 [0,1,0,0,0,0|2,0,1]=4 2526 B14R1.19598 CCC(O)COc1c(cccc1Br)C 7a_100009817157_100011218378 [0,1,0,0,0,0|2,0,1]=4 2527 B14R1.19598 CCC(O)COc1c(cccc1C)C 34a_100000210341_100011218378 [0,1,0,0,0,0|1,0,1]=3 2528 B14R1.19598 CCC(O)COc1c(cccc1C)C 7a_100000210341_100011218378 [0,1,0,0,0,0|1,0,1]=3 2529 B14R1.19598 CCC(O)COc1c(cccc1Cl)C 34a_100000033731_100011218378 [0,1,0,0,0,0|2,0,1]=4 2530 B14R1.19598 CCC(O)COc1c(cccc1Cl)C 7a_100000033731_100011218378 [0,1,0,0,0,0|2,0,1]=4 2531 B14R1.19598 CCC(O)COc1c(cccc1F)C 34a_100011659162_100011218378 [0,1,0,0,0,0|2,0,1]=4 2532 B14R1.19598 CCC(O)COc1c(cccc1F)C 7a_100011659162_100011218378 [0,1,0,0,0,0|2,0,1]=4 2533 B14R1.19598 CCC(O)COc1c(cccc1N)C 34a_100000756359_100011218378 [0,1,0,0,0,0|2,0,1]=4 2534 B14R1.19598 CCC(O)COc1c(cccc1N)C 7a_100000756359_100011218378 [0,1,0,0,0,0|2,0,1]=4 2535 B14R1.19598 CCC(O)COc1c(ccnc1C)C 34a_100011934651_100011218378 [0,1,0,0,0,0|2,0,1]=4 2536 B14R1.19598 CCC(O)COc1c(ccnc1C)C 7a_100011934651_100011218378 [0,1,0,0,0,0|2,0,1]=4 2537 B14R1.19598 CCC(O)CSc1c(cccc1C)C 62a_100000033847_100011218378 [0,1,0,0,0,0|1,1,1]=4 2538 B14R1.19598 CCC(O)CSc1c(cccc1C)C 62a_100011218378_100000033847 [0,1,0,0,0,0|1,1,1]=4 2539 B14R1.19598 CC[C@H](C)COc1c(cccc1C)C 34a_100000210341_100009816398 [0,1,0,0,0,0|2,0,1]=4 2540 B14R1.19598 CC[C@H](C)COc1c(cccc1C)C 7a_100000210341_100009816398 [0,1,0,0,0,0|2,0,1]=4 2541 B14R1.19598 CNC(=O)CCc1c(cccc1C)C 11a_106832991635_200011998103 [0,1,0,0,0,0|2,0,0]=3 2542 B14R1.19598 CNC(=O)CCc1c(cccc1C)C 1626a_100102657272_200011998103 [0,1,0,0,0,0|2,0,0]=3 2543 B14R1.19598 CNC(=O)CCc1c(cccc1C)C 240690a_100102657272_200011998103 [0,1,0,0,0,0|2,0,0]=3 2544 B14R1.19598 CNC(=O)CCc1c(cccc1C)C 527a_100102657272_200011998103 [0,1,0,0,0,0|2,0,0]=3 2545 B14R1.19598 CNC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000183359 [0,1,0,0,0,0|3,0,0]=4 2546 B14R1.19598 CNC(=O)CNc1c(cccc1C)C 34a_100000185769_100000183359 [0,1,0,0,0,0|2,0,0]=3 2547 B14R1.19598 CNC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000183359 [0,1,0,0,0,0|3,0,0]=4 2548 B14R1.19598 CNC(=O)CNc1c(cccc1F)C 34a_100000766463_100000183359 [0,1,0,0,0,0|3,0,0]=4 2549 B14R1.19598 CNC(=O)CNc1c(cccc1O)C 34a_100000743429_100000183359 [0,1,0,0,0,0|3,0,0]=4 2550 B14R1.19598 CNC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000183359 [0,1,0,0,0,0|3,0,0]=4 2551 B14R1.19598 CNC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000183359 [0,1,0,0,0,0|3,0,0]=4 2552 B14R1.19598 CNC(=O)COc1c(cccc1Br)C 34a_100009817157_100000183359 [0,1,0,0,0,0|2,0,0]=3 2553 B14R1.19598 CNC(=O)COc1c(cccc1Br)C 7a_100009817157_100000183359 [0,1,0,0,0,0|2,0,0]=3 2554 B14R1.19598 CNC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000183359 [0,1,0,0,0,0|3,0,0]=4 2555 B14R1.19598 CNC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000183359 [0,1,0,0,0,0|3,0,0]=4 2556 B14R1.19598 CNC(=O)COc1c(cccc1Br)F 34a_100009813666_100000183359 [0,1,0,0,0,0|3,0,0]=4 2557 B14R1.19598 CNC(=O)COc1c(cccc1Br)F 7a_100009813666_100000183359 [0,1,0,0,0,0|3,0,0]=4 2558 B14R1.19598 CNC(=O)COc1c(cccc1Br)N 34a_100011934915_100000183359 [0,1,0,0,0,0|3,0,0]=4 2559 B14R1.19598 CNC(=O)COc1c(cccc1C)C 11a_106832991635_100000184085 [0,1,0,0,0,0|1,0,0]=2 2560 B14R1.19598 CNC(=O)COc1c(cccc1C)C 1626a_100102657272_100000184085 [0,1,0,0,0,0|1,0,0]=2 2561 B14R1.19598 CNC(=O)COc1c(cccc1C)C 240690a_100102657272_100000184085 [0,1,0,0,0,0|1,0,0]=2 2562 B14R1.19598 CNC(=O)COc1c(cccc1C)C 34a_100000210341_100000183359 [0,1,0,0,0,0|1,0,0]=2 2563 B14R1.19598 CNC(=O)COc1c(cccc1C)C 527a_100102657272_100000184085 [0,1,0,0,0,0|1,0,0]=2 2564 B14R1.19598 CNC(=O)COc1c(cccc1C)C 7a_100000210341_100000183359 [0,1,0,0,0,0|1,0,0]=2 2565 B14R1.19598 CNC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000183359 [0,1,0,0,0,0|2,0,0]=3 2566 B14R1.19598 CNC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000183359 [0,1,0,0,0,0|2,0,0]=3 2567 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 11a_106832991635_100000184137 [0,1,0,0,0,0|3,0,0]=4 2568 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 1626a_100102657272_100000184137 [0,1,0,0,0,0|3,0,0]=4 2569 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 240690a_100102657272_100000184137 [0,1,0,0,0,0|3,0,0]=4 2570 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000183359 [0,1,0,0,0,0|3,0,0]=4 2571 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 527a_100102657272_100000184137 [0,1,0,0,0,0|3,0,0]=4 2572 B14R1.19598 CNC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000183359 [0,1,0,0,0,0|3,0,0]=4 2573 B14R1.19598 CNC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000183359 [0,1,0,0,0,0|3,0,0]=4 2574 B14R1.19598 CNC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000183359 [0,1,0,0,0,0|3,0,0]=4 2575 B14R1.19598 CNC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000183359 [0,1,0,0,0,0|3,0,0]=4 2576 B14R1.19598 CNC(=O)COc1c(cccc1F)C 34a_100011659162_100000183359 [0,1,0,0,0,0|2,0,0]=3 2577 B14R1.19598 CNC(=O)COc1c(cccc1F)C 7a_100011659162_100000183359 [0,1,0,0,0,0|2,0,0]=3 2578 B14R1.19598 CNC(=O)COc1c(cccc1F)F 34a_100000230165_100000183359 [0,1,0,0,0,0|3,0,0]=4 2579 B14R1.19598 CNC(=O)COc1c(cccc1F)F 7a_100000230165_100000183359 [0,1,0,0,0,0|3,0,0]=4 2580 B14R1.19598 CNC(=O)COc1c(cccc1F)N 34a_100011934987_100000183359 [0,1,0,0,0,0|3,0,0]=4 2581 B14R1.19598 CNC(=O)COc1c(cccc1I)Br 34a_100010084509_100000183359 [0,1,0,0,0,0|3,0,0]=4 2582 B14R1.19598 CNC(=O)COc1c(cccc1I)Br 7a_100010084509_100000183359 [0,1,0,0,0,0|3,0,0]=4 2583 B14R1.19598 CNC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000183359 [0,1,0,0,0,0|3,0,0]=4 2584 B14R1.19598 CNC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000183359 [0,1,0,0,0,0|3,0,0]=4 2585 B14R1.19598 CNC(=O)COc1c(cccc1I)F 34a_100010186298_100000183359 [0,1,0,0,0,0|3,0,0]=4 2586 B14R1.19598 CNC(=O)COc1c(cccc1I)F 7a_100010186298_100000183359 [0,1,0,0,0,0|3,0,0]=4 2587 B14R1.19598 CNC(=O)COc1c(cccc1I)N 34a_100010084371_100000183359 [0,1,0,0,0,0|3,0,0]=4 2588 B14R1.19598 CNC(=O)COc1c(cccc1N)C 34a_100000756359_100000183359 [0,1,0,0,0,0|2,0,0]=3 2589 B14R1.19598 CNC(=O)COc1c(cccc1N)C 7a_100000756359_100000183359 [0,1,0,0,0,0|2,0,0]=3 2590 B14R1.19598 CNC(=O)COc1c(cccc1N)N 34a_200016994477_100000183359 [0,1,0,0,0,0|3,0,0]=4 2591 B14R1.19598 CNC(=O)COc1c(ccnc1C)C 34a_100011934651_100000183359 [0,1,0,0,0,0|2,0,0]=3 2592 B14R1.19598 CNC(=O)COc1c(ccnc1C)C 7a_100011934651_100000183359 [0,1,0,0,0,0|2,0,0]=3 2593 B14R1.19598 CNC(=O)COc1c(ccnc1Cl)C 34a_100000696282_100000183359 [0,1,0,0,0,0|3,0,0]=4 2594 B14R1.19598 CNC(=O)COc1c(ccnc1Cl)C 7a_100000696282_100000183359 [0,1,0,0,0,0|3,0,0]=4 2595 B14R1.19598 CNC(=O)COc1c(ncnc1C)C 34a_100009878406_100000183359 [0,1,0,0,0,0|3,0,0]=4 2596 B14R1.19598 CNC(=O)COc1c(ncnc1C)C 7a_100009878406_100000183359 [0,1,0,0,0,0|3,0,0]=4 2597 B14R1.19598 CNC(=O)COc1c(occc1=O)C 34a_100000031901_100000183359 [0,1,0,0,0,0|3,0,0]=4 2598 B14R1.19598 CNC(=O)CSc1c(cccc1Br)C 62a_100000183359_100010141302 [0,1,0,0,0,0|2,1,0]=4 2599 B14R1.19598 CNC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000183359 [0,1,0,0,0,0|2,1,0]=4 2600 B14R1.19598 CNC(=O)CSc1c(cccc1C)C 62a_100000033847_100000183359 [0,1,0,0,0,0|1,1,0]=3 2601 B14R1.19598 CNC(=O)CSc1c(cccc1C)C 62a_100000183359_100000033847 [0,1,0,0,0,0|1,1,0]=3 2602 B14R1.19598 CNC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000183359 [0,1,0,0,0,0|2,1,0]=4 2603 B14R1.19598 CNC(=O)CSc1c(cccc1Cl)C 62a_100000183359_100000043165 [0,1,0,0,0,0|2,1,0]=4 2604 B14R1.19598 CNC(=O)CSc1c(cccc1F)C 62a_100000183359_100011218421 [0,1,0,0,0,0|2,1,0]=4 2605 B14R1.19598 CNC(=O)CSc1c(cccc1F)C 62a_100011218421_100000183359 [0,1,0,0,0,0|2,1,0]=4 2606 B14R1.19598 CNC(=O)CSc1c(cccc1N)C 62a_100000183359_100000684715 [0,1,0,0,0,0|2,1,0]=4 2607 B14R1.19598 CNC(=O)CSc1c(cccc1N)C 62a_100000684715_100000183359 [0,1,0,0,0,0|2,1,0]=4 2608 B14R1.19598 CNC(=O)CSc1c(cccc1O)C 62a_100000183359_100000686692 [0,1,0,0,0,0|2,1,0]=4 2609 B14R1.19598 CNC(=O)CSc1c(cccc1O)C 62a_100000686692_100000183359 [0,1,0,0,0,0|2,1,0]=4 2610 B14R1.19598 CNC(=O)CSc1c(ccnc1C)C 62a_100000183359_100012000501 [0,1,0,0,0,0|2,1,0]=4 2611 B14R1.19598 CNC(=O)CSc1c(ccnc1C)C 62a_100012000501_100000183359 [0,1,0,0,0,0|2,1,0]=4 2612 B14R1.19598 CNC(=O)CSc1c(cncc1C)C 62a_100000183359_100009817138 [0,1,0,0,0,0|2,1,0]=4 2613 B14R1.19598 CNC(=O)CSc1c(cncc1C)C 62a_100009817138_100000183359 [0,1,0,0,0,0|2,1,0]=4 2614 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 2708a_100000689800_106832991635 [0,1,0,0,0,0|3,0,0]=4 2615 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 2708a_100102657272_100000689800 [0,1,0,0,0,0|3,0,0]=4 2616 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 273464a_100000689800_100102657272 [0,1,0,0,0,0|3,0,0]=4 2617 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 273464a_100102657272_100000689800 [0,1,0,0,0,0|3,0,0]=4 2618 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 512a_100000689800_100102657272 [0,1,0,0,0,0|3,0,0]=4 2619 B14R1.19598 CNC(=O)NCc1c(cccc1C)C 512a_106832991638_100000689800 [0,1,0,0,0,0|3,0,0]=4 2620 B14R1.19598 CNC(=O)NNc1c(cccc1C)C 273464a_100102657272_100016987787 [0,1,0,0,0,0|3,0,0]=4 2621 B14R1.19598 CNC(=O)NNc1c(cccc1C)C 512a_106832991638_100016987787 [0,1,0,0,0,0|3,0,0]=4 2622 B14R1.19598 CNC(C)COc1c(cccc1C)C 2230a_100000744845_200000210301 [0,1,0,0,0,0|2,0,1]=4 2623 B14R1.19598 CNC(C)COc1c(cccc1C)C 270004a_106832991635_100011343208 [0,1,0,0,0,0|2,0,1]=4 2624 B14R1.19598 CNC(C)COc1c(cccc1C)C 34a_100000744845_200000210301 [0,1,0,0,0,0|2,0,1]=4 2625 B14R1.19598 COC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000747449 [0,1,0,0,0,0|3,0,0]=4 2626 B14R1.19598 COC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000747449 [0,1,0,0,0,0|2,0,0]=3 2627 B14R1.19598 COC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000747449 [0,1,0,0,0,0|3,0,0]=4 2628 B14R1.19598 COC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000747449 [0,1,0,0,0,0|3,0,0]=4 2629 B14R1.19598 COC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000747449 [0,1,0,0,0,0|3,0,0]=4 2630 B14R1.19598 COC(=O)CNc1c(cccc1C)C 34a_100000185769_100000747449 [0,1,0,0,0,0|1,0,0]=2 2631 B14R1.19598 COC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000747449 [0,1,0,0,0,0|2,0,0]=3 2632 B14R1.19598 COC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000747449 [0,1,0,0,0,0|3,0,0]=4 2633 B14R1.19598 COC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000747449 [0,1,0,0,0,0|3,0,0]=4 2634 B14R1.19598 COC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000747449 [0,1,0,0,0,0|3,0,0]=4 2635 B14R1.19598 COC(=O)CNc1c(cccc1F)C 34a_100000766463_100000747449 [0,1,0,0,0,0|2,0,0]=3 2636 B14R1.19598 COC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000747449 [0,1,0,0,0,0|3,0,0]=4 2637 B14R1.19598 COC(=O)CNc1c(cccc1F)F 34a_100000210704_100000747449 [0,1,0,0,0,0|3,0,0]=4 2638 B14R1.19598 COC(=O)CNc1c(cccc1F)O 34a_100020591140_100000747449 [0,1,0,0,0,0|3,0,0]=4 2639 B14R1.19598 COC(=O)CNc1c(cccc1I)F 34a_100000042321_100000747449 [0,1,0,0,0,0|3,0,0]=4 2640 B14R1.19598 COC(=O)CNc1c(cccc1O)C 34a_100000743429_100000747449 [0,1,0,0,0,0|2,0,0]=3 2641 B14R1.19598 COC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000747449 [0,1,0,0,0,0|2,0,0]=3 2642 B14R1.19598 COC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000747449 [0,1,0,0,0,0|2,0,0]=3 2643 B14R1.19598 COC(=O)COc1c(cccc1Br)C 34a_100009817157_100000747449 [0,1,0,0,0,0|1,0,0]=2 2644 B14R1.19598 COC(=O)COc1c(cccc1Br)C 7a_100009817157_100000747449 [0,1,0,0,0,0|1,0,0]=2 2645 B14R1.19598 COC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000747449 [0,1,0,0,0,0|2,0,0]=3 2646 B14R1.19598 COC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000747449 [0,1,0,0,0,0|2,0,0]=3 2647 B14R1.19598 COC(=O)COc1c(cccc1Br)F 34a_100009813666_100000747449 [0,1,0,0,0,0|2,0,0]=3 2648 B14R1.19598 COC(=O)COc1c(cccc1Br)F 7a_100009813666_100000747449 [0,1,0,0,0,0|2,0,0]=3 2649 B14R1.19598 COC(=O)COc1c(cccc1Br)N 34a_100011934915_100000747449 [0,1,0,0,0,0|2,0,0]=3 2650 B14R1.19598 COC(=O)COc1c(cccc1C)C 34a_100000210341_100000747449 [0,1,0,0,0,0|0,0,0]=1 2651 B14R1.19598 COC(=O)COc1c(cccc1C)C 7a_100000210341_100000747449 [0,1,0,0,0,0|0,0,0]=1 2652 B14R1.19598 COC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000747449 [0,1,0,0,0,0|1,0,0]=2 2653 B14R1.19598 COC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000747449 [0,1,0,0,0,0|1,0,0]=2 2654 B14R1.19598 COC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000747449 [0,1,0,0,0,0|2,0,0]=3 2655 B14R1.19598 COC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000747449 [0,1,0,0,0,0|2,0,0]=3 2656 B14R1.19598 COC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000747449 [0,1,0,0,0,0|2,0,0]=3 2657 B14R1.19598 COC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000747449 [0,1,0,0,0,0|2,0,0]=3 2658 B14R1.19598 COC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000747449 [0,1,0,0,0,0|2,0,0]=3 2659 B14R1.19598 COC(=O)COc1c(cccc1F)C 34a_100011659162_100000747449 [0,1,0,0,0,0|1,0,0]=2 2660 B14R1.19598 COC(=O)COc1c(cccc1F)C 7a_100011659162_100000747449 [0,1,0,0,0,0|1,0,0]=2 2661 B14R1.19598 COC(=O)COc1c(cccc1F)F 34a_100000230165_100000747449 [0,1,0,0,0,0|2,0,0]=3 2662 B14R1.19598 COC(=O)COc1c(cccc1F)F 7a_100000230165_100000747449 [0,1,0,0,0,0|2,0,0]=3 2663 B14R1.19598 COC(=O)COc1c(cccc1F)N 34a_100011934987_100000747449 [0,1,0,0,0,0|2,0,0]=3 2664 B14R1.19598 COC(=O)COc1c(cccc1I)Br 34a_100010084509_100000747449 [0,1,0,0,0,0|2,0,0]=3 2665 B14R1.19598 COC(=O)COc1c(cccc1I)Br 7a_100010084509_100000747449 [0,1,0,0,0,0|2,0,0]=3 2666 B14R1.19598 COC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000747449 [0,1,0,0,0,0|2,0,0]=3 2667 B14R1.19598 COC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000747449 [0,1,0,0,0,0|2,0,0]=3 2668 B14R1.19598 COC(=O)COc1c(cccc1I)F 34a_100010186298_100000747449 [0,1,0,0,0,0|2,0,0]=3 2669 B14R1.19598 COC(=O)COc1c(cccc1I)F 7a_100010186298_100000747449 [0,1,0,0,0,0|2,0,0]=3 2670 B14R1.19598 COC(=O)COc1c(cccc1I)N 34a_100010084371_100000747449 [0,1,0,0,0,0|2,0,0]=3 2671 B14R1.19598 COC(=O)COc1c(cccc1N)C 34a_100000756359_100000747449 [0,1,0,0,0,0|1,0,0]=2 2672 B14R1.19598 COC(=O)COc1c(cccc1N)C 7a_100000756359_100000747449 [0,1,0,0,0,0|1,0,0]=2 2673 B14R1.19598 COC(=O)COc1c(cccc1N)N 34a_200016994477_100000747449 [0,1,0,0,0,0|2,0,0]=3 2674 B14R1.19598 COC(=O)COc1c(ccnc1C)C 34a_100011934651_100000747449 [0,1,0,0,0,0|1,0,0]=2 2675 B14R1.19598 COC(=O)COc1c(ccnc1C)C 7a_100011934651_100000747449 [0,1,0,0,0,0|1,0,0]=2 2676 B14R1.19598 COC(=O)COc1c(ccnc1Cl)C 34a_100000696282_100000747449 [0,1,0,0,0,0|2,0,0]=3 2677 B14R1.19598 COC(=O)COc1c(ccnc1Cl)C 7a_100000696282_100000747449 [0,1,0,0,0,0|2,0,0]=3 2678 B14R1.19598 COC(=O)COc1c(ccnc1Cl)Cl 34a_100000118450_100000747449 [0,1,0,0,0,0|3,0,0]=4 2679 B14R1.19598 COC(=O)COc1c(ccnc1Cl)Cl 7a_100000118450_100000747449 [0,1,0,0,0,0|3,0,0]=4 2680 B14R1.19598 COC(=O)COc1c(ccnc1Cl)F 34a_100009867227_100000747449 [0,1,0,0,0,0|3,0,0]=4 2681 B14R1.19598 COC(=O)COc1c(ccnc1Cl)F 7a_100009867227_100000747449 [0,1,0,0,0,0|3,0,0]=4 2682 B14R1.19598 COC(=O)COc1c(ccnc1Cl)I 34a_100010067911_100000747449 [0,1,0,0,0,0|3,0,0]=4 2683 B14R1.19598 COC(=O)COc1c(ccnc1Cl)I 7a_100010067911_100000747449 [0,1,0,0,0,0|3,0,0]=4 2684 B14R1.19598 COC(=O)COc1c(ccnc1Cl)N 34a_100009844647_100000747449 [0,1,0,0,0,0|3,0,0]=4 2685 B14R1.19598 COC(=O)COc1c(ccnc1Cl)N 7a_100009844647_100000747449 [0,1,0,0,0,0|3,0,0]=4 2686 B14R1.19598 COC(=O)COc1c(ncnc1C)C 34a_100009878406_100000747449 [0,1,0,0,0,0|2,0,0]=3 2687 B14R1.19598 COC(=O)COc1c(ncnc1C)C 7a_100009878406_100000747449 [0,1,0,0,0,0|2,0,0]=3 2688 B14R1.19598 COC(=O)COc1c(occc1=O)C 34a_100000031901_100000747449 [0,1,0,0,0,0|2,0,0]=3 2689 B14R1.19598 COC(=O)CSc1c(ccc[n+]1[O-])C 62a_100000747449_100116209805 [0,1,0,0,0,0|2,1,0]=4 2690 B14R1.19598 COC(=O)CSc1c(cccc1Br)Br 62a_100000747449_100009994525 [0,1,0,0,0,0|2,1,0]=4 2691 B14R1.19598 COC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000747449 [0,1,0,0,0,0|2,1,0]=4 2692 B14R1.19598 COC(=O)CSc1c(cccc1Br)C 62a_100000747449_100010141302 [0,1,0,0,0,0|1,1,0]=3 2693 B14R1.19598 COC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000747449 [0,1,0,0,0,0|1,1,0]=3 2694 B14R1.19598 COC(=O)CSc1c(cccc1Br)Cl 62a_100000747449_100010214488 [0,1,0,0,0,0|2,1,0]=4 2695 B14R1.19598 COC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000747449 [0,1,0,0,0,0|2,1,0]=4 2696 B14R1.19598 COC(=O)CSc1c(cccc1Br)F 62a_100000747449_100011219512 [0,1,0,0,0,0|2,1,0]=4 2697 B14R1.19598 COC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000747449 [0,1,0,0,0,0|2,1,0]=4 2698 B14R1.19598 COC(=O)CSc1c(cccc1Br)N 62a_100000747449_100020590159 [0,1,0,0,0,0|2,1,0]=4 2699 B14R1.19598 COC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000747449 [0,1,0,0,0,0|2,1,0]=4 2700 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100000747449_100010187912 [0,1,0,0,0,0|2,1,0]=4 2701 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747449 [0,1,0,0,0,0|2,1,0]=4 2702 B14R1.19598 COC(=O)CSc1c(cccc1C)C 62a_100000033847_100000747449 [0,1,0,0,0,0|0,1,0]=2 2703 B14R1.19598 COC(=O)CSc1c(cccc1C)C 62a_100000747449_100000033847 [0,1,0,0,0,0|0,1,0]=2 2704 B14R1.19598 COC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000747449 [0,1,0,0,0,0|1,1,0]=3 2705 B14R1.19598 COC(=O)CSc1c(cccc1Cl)C 62a_100000747449_100000043165 [0,1,0,0,0,0|1,1,0]=3 2706 B14R1.19598 COC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000747449 [0,1,0,0,0,0|2,1,0]=4 2707 B14R1.19598 COC(=O)CSc1c(cccc1Cl)Cl 62a_100000747449_100000034237 [0,1,0,0,0,0|2,1,0]=4 2708 B14R1.19598 COC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000747449 [0,1,0,0,0,0|2,1,0]=4 2709 B14R1.19598 COC(=O)CSc1c(cccc1Cl)F 62a_100000747449_100000050007 [0,1,0,0,0,0|2,1,0]=4 2710 B14R1.19598 COC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000747449 [0,1,0,0,0,0|2,1,0]=4 2711 B14R1.19598 COC(=O)CSc1c(cccc1Cl)N 62a_100000747449_100000049713 [0,1,0,0,0,0|2,1,0]=4 2712 B14R1.19598 COC(=O)CSc1c(cccc1Cl)O 62a_100000747449_100000050174 [0,1,0,0,0,0|2,1,0]=4 2713 B14R1.19598 COC(=O)CSc1c(cccc1F)C 62a_100000747449_100011218421 [0,1,0,0,0,0|1,1,0]=3 2714 B14R1.19598 COC(=O)CSc1c(cccc1F)C 62a_100011218421_100000747449 [0,1,0,0,0,0|1,1,0]=3 2715 B14R1.19598 COC(=O)CSc1c(cccc1F)F 62a_100000693133_100000747449 [0,1,0,0,0,0|2,1,0]=4 2716 B14R1.19598 COC(=O)CSc1c(cccc1F)F 62a_100000747449_100000693133 [0,1,0,0,0,0|2,1,0]=4 2717 B14R1.19598 COC(=O)CSc1c(cccc1F)N 62a_100000690935_100000747449 [0,1,0,0,0,0|2,1,0]=4 2718 B14R1.19598 COC(=O)CSc1c(cccc1F)N 62a_100000747449_100000690935 [0,1,0,0,0,0|2,1,0]=4 2719 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100000747449_100009820682 [0,1,0,0,0,0|2,1,0]=4 2720 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747449 [0,1,0,0,0,0|2,1,0]=4 2721 B14R1.19598 COC(=O)CSc1c(cccc1N)C 62a_100000684715_100000747449 [0,1,0,0,0,0|1,1,0]=3 2722 B14R1.19598 COC(=O)CSc1c(cccc1N)C 62a_100000747449_100000684715 [0,1,0,0,0,0|1,1,0]=3 2723 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000686692_100000747449 [0,1,0,0,0,0|1,1,0]=3 2724 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000747449_100000686692 [0,1,0,0,0,0|1,1,0]=3 2725 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100000747449_100012183704 [0,1,0,0,0,0|2,1,0]=4 2726 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747449 [0,1,0,0,0,0|2,1,0]=4 2727 B14R1.19598 COC(=O)CSc1c(cccc1O)O 62a_100000747449_100010205330 [0,1,0,0,0,0|2,1,0]=4 2728 B14R1.19598 COC(=O)CSc1c(ccnc1C)C 62a_100000747449_100012000501 [0,1,0,0,0,0|1,1,0]=3 2729 B14R1.19598 COC(=O)CSc1c(ccnc1C)C 62a_100012000501_100000747449 [0,1,0,0,0,0|1,1,0]=3 2730 B14R1.19598 COC(=O)CSc1c(ccnc1C)N 62a_100000747449_100010243816 [0,1,0,0,0,0|2,1,0]=4 2731 B14R1.19598 COC(=O)CSc1c(ccnc1C)N 62a_100010243816_100000747449 [0,1,0,0,0,0|2,1,0]=4 2732 B14R1.19598 COC(=O)CSc1c(ccnc1Cl)C 62a_100000747449_100010248874 [0,1,0,0,0,0|2,1,0]=4 2733 B14R1.19598 COC(=O)CSc1c(ccnc1Cl)C 62a_100010248874_100000747449 [0,1,0,0,0,0|2,1,0]=4 2734 B14R1.19598 COC(=O)CSc1c(ccnc1F)C 62a_100000747449_100009818256 [0,1,0,0,0,0|2,1,0]=4 2735 B14R1.19598 COC(=O)CSc1c(ccnc1F)C 62a_100009818256_100000747449 [0,1,0,0,0,0|2,1,0]=4 2736 B14R1.19598 COC(=O)CSc1c(ccnc1N)C 62a_100000747449_100011998619 [0,1,0,0,0,0|2,1,0]=4 2737 B14R1.19598 COC(=O)CSc1c(ccnc1N)C 62a_100011998619_100000747449 [0,1,0,0,0,0|2,1,0]=4 2738 B14R1.19598 COC(=O)CSc1c(ccnc1O)C 62a_100000747449_100012000493 [0,1,0,0,0,0|2,1,0]=4 2739 B14R1.19598 COC(=O)CSc1c(ccnc1O)C 62a_100012000493_100000747449 [0,1,0,0,0,0|2,1,0]=4 2740 B14R1.19598 COC(=O)CSc1c(cncc1C)C 62a_100000747449_100009817138 [0,1,0,0,0,0|1,1,0]=3 2741 B14R1.19598 COC(=O)CSc1c(cncc1C)C 62a_100009817138_100000747449 [0,1,0,0,0,0|1,1,0]=3 2742 B14R1.19598 COC(=O)CSc1c(ncnc1C)C 62a_100000747449_100009820708 [0,1,0,0,0,0|2,1,0]=4 2743 B14R1.19598 COC(=O)CSc1c(ncnc1C)C 62a_100009820708_100000747449 [0,1,0,0,0,0|2,1,0]=4 2744 B14R1.19598 Cc1cccc(c1CCC(=O)CF)C 1458a_200011998103_100015361967 [0,1,0,0,0,0|2,0,0]=3 2745 B14R1.19598 Cc1cccc(c1CNC(=O)CO)C 240690a_100000689800_100000210174 [0,1,0,0,0,0|2,0,0]=3 2746 B14R1.19598 Cc1cccc(c1CNC(=O)CO)C 527a_100000689800_100000210174 [0,1,0,0,0,0|2,0,0]=3 2747 B14R1.19598 Cc1cccc(c1CNC(=O)CO)F 240690a_100000762012_100000210174 [0,1,0,0,0,0|3,0,0]=4 2748 B14R1.19598 Cc1cccc(c1CNC(=O)CO)F 527a_100000762012_100000210174 [0,1,0,0,0,0|3,0,0]=4 2749 B14R1.19598 Cc1cccc(c1NCC(O)CO)C 34a_100000185769_100011219619 [0,1,0,0,0,0|1,0,2]=4 2750 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)C 34a_100000185769_100000059175 [0,1,0,0,0,0|2,0,1]=4 2751 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)C 34a_100000185769_100015614560 [0,1,0,0,0,0|2,0,1]=4 2752 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)C 34a_100000185769_100009815848 [0,1,0,0,0,0|1,0,2]=4 2753 B14R1.19598 Cc1cccc(c1NNC(=O)CO)C 22a_100016987787_100000210174 [0,1,0,0,0,0|2,0,0]=3 2754 B14R1.19598 Cc1cccc(c1OCC(=O)CF)C 1458a_100000184085_100015361967 [0,1,0,0,0,0|1,0,0]=2 2755 B14R1.19598 Cc1cccc(c1OCC(C)N[13CH3])C 2230a_100000744845_200025704644 [0,1,0,0,0,0|2,0,1]=4 2756 B14R1.19598 Cc1cccc(c1OCC(C)N[13CH3])C 34a_100000744845_200025704644 [0,1,0,0,0,0|2,0,1]=4 2757 B14R1.19598 Cc1cccc(c1OCC(O)CO)Br 34a_100009817157_100011219619 [0,1,0,0,0,0|1,0,2]=4 2758 B14R1.19598 Cc1cccc(c1OCC(O)CO)Br 7a_100009817157_100011219619 [0,1,0,0,0,0|1,0,2]=4 2759 B14R1.19598 Cc1cccc(c1OCC(O)CO)C 34a_100000210341_100011219619 [0,1,0,0,0,0|0,0,2]=3 2760 B14R1.19598 Cc1cccc(c1OCC(O)CO)C 7a_100000210341_100011219619 [0,1,0,0,0,0|0,0,2]=3 2761 B14R1.19598 Cc1cccc(c1OCC(O)CO)Cl 34a_100000033731_100011219619 [0,1,0,0,0,0|1,0,2]=4 2762 B14R1.19598 Cc1cccc(c1OCC(O)CO)Cl 7a_100000033731_100011219619 [0,1,0,0,0,0|1,0,2]=4 2763 B14R1.19598 Cc1cccc(c1OCC(O)CO)F 34a_100011659162_100011219619 [0,1,0,0,0,0|1,0,2]=4 2764 B14R1.19598 Cc1cccc(c1OCC(O)CO)F 7a_100011659162_100011219619 [0,1,0,0,0,0|1,0,2]=4 2765 B14R1.19598 Cc1cccc(c1OCC(O)CO)N 34a_100000756359_100011219619 [0,1,0,0,0,0|1,0,2]=4 2766 B14R1.19598 Cc1cccc(c1OCC(O)CO)N 7a_100000756359_100011219619 [0,1,0,0,0,0|1,0,2]=4 2767 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Br 34a_100009817157_100000059175 [0,1,0,0,0,0|2,0,1]=4 2768 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Br 7a_100009817157_100000059175 [0,1,0,0,0,0|2,0,1]=4 2769 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)C 34a_100000210341_100000059175 [0,1,0,0,0,0|1,0,1]=3 2770 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)C 7a_100000210341_100000059175 [0,1,0,0,0,0|1,0,1]=3 2771 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Cl 34a_100000033731_100000059175 [0,1,0,0,0,0|2,0,1]=4 2772 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Cl 7a_100000033731_100000059175 [0,1,0,0,0,0|2,0,1]=4 2773 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)F 34a_100011659162_100000059175 [0,1,0,0,0,0|2,0,1]=4 2774 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)F 7a_100011659162_100000059175 [0,1,0,0,0,0|2,0,1]=4 2775 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)N 34a_100000756359_100000059175 [0,1,0,0,0,0|2,0,1]=4 2776 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)N 7a_100000756359_100000059175 [0,1,0,0,0,0|2,0,1]=4 2777 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Br 34a_100009817157_100015614560 [0,1,0,0,0,0|2,0,1]=4 2778 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Br 7a_100009817157_100015614560 [0,1,0,0,0,0|2,0,1]=4 2779 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)C 34a_100000210341_100015614560 [0,1,0,0,0,0|1,0,1]=3 2780 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)C 7a_100000210341_100015614560 [0,1,0,0,0,0|1,0,1]=3 2781 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Cl 34a_100000033731_100015614560 [0,1,0,0,0,0|2,0,1]=4 2782 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Cl 7a_100000033731_100015614560 [0,1,0,0,0,0|2,0,1]=4 2783 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)F 34a_100011659162_100015614560 [0,1,0,0,0,0|2,0,1]=4 2784 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)F 7a_100011659162_100015614560 [0,1,0,0,0,0|2,0,1]=4 2785 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)N 34a_100000756359_100015614560 [0,1,0,0,0,0|2,0,1]=4 2786 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)N 7a_100000756359_100015614560 [0,1,0,0,0,0|2,0,1]=4 2787 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Br 34a_100009817157_100009815848 [0,1,0,0,0,0|1,0,2]=4 2788 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Br 7a_100009817157_100009815848 [0,1,0,0,0,0|1,0,2]=4 2789 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)C 34a_100000210341_100009815848 [0,1,0,0,0,0|0,0,2]=3 2790 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)C 7a_100000210341_100009815848 [0,1,0,0,0,0|0,0,2]=3 2791 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Cl 34a_100000033731_100009815848 [0,1,0,0,0,0|1,0,2]=4 2792 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Cl 7a_100000033731_100009815848 [0,1,0,0,0,0|1,0,2]=4 2793 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)F 34a_100011659162_100009815848 [0,1,0,0,0,0|1,0,2]=4 2794 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)F 7a_100011659162_100009815848 [0,1,0,0,0,0|1,0,2]=4 2795 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)N 34a_100000756359_100009815848 [0,1,0,0,0,0|1,0,2]=4 2796 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)N 7a_100000756359_100009815848 [0,1,0,0,0,0|1,0,2]=4 2797 B14R1.19598 Cc1cccc(c1SCC(O)CO)C 62a_100000033847_100011219619 [0,1,0,0,0,0|0,1,2]=4 2798 B14R1.19598 Cc1cccc(c1SCC(O)CO)C 62a_100011219619_100000033847 [0,1,0,0,0,0|0,1,2]=4 2799 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)C 62a_100000033847_100000059175 [0,1,0,0,0,0|1,1,1]=4 2800 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)C 62a_100000059175_100000033847 [0,1,0,0,0,0|1,1,1]=4 2801 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)C 62a_100000033847_100015614560 [0,1,0,0,0,0|1,1,1]=4 2802 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)C 62a_100015614560_100000033847 [0,1,0,0,0,0|1,1,1]=4 2803 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)C 62a_100000033847_100009815848 [0,1,0,0,0,0|0,1,2]=4 2804 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)C 62a_100009815848_100000033847 [0,1,0,0,0,0|0,1,2]=4 2805 B14R1.19598 Cc1ccnc(c1OCC(O)CO)C 34a_100011934651_100011219619 [0,1,0,0,0,0|1,0,2]=4 2806 B14R1.19598 Cc1ccnc(c1OCC(O)CO)C 7a_100011934651_100011219619 [0,1,0,0,0,0|1,0,2]=4 2807 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)C 34a_100011934651_100000059175 [0,1,0,0,0,0|2,0,1]=4 2808 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)C 7a_100011934651_100000059175 [0,1,0,0,0,0|2,0,1]=4 2809 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)C 34a_100011934651_100015614560 [0,1,0,0,0,0|2,0,1]=4 2810 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)C 7a_100011934651_100015614560 [0,1,0,0,0,0|2,0,1]=4 2811 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)C 34a_100011934651_100009815848 [0,1,0,0,0,0|1,0,2]=4 2812 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)C 7a_100011934651_100009815848 [0,1,0,0,0,0|1,0,2]=4 2813 B14R1.19598 O=C(CF)COc1c(cccc1Cl)Cl 1458a_100000184137_100015361967 [0,1,0,0,0,0|3,0,0]=4 2814 B14R1.19598 O=C(CO)CCc1c(cccc1Cl)Cl 1458a_100000210174_100012161200 [0,1,0,0,0,0|3,0,0]=4 2815 B14R2.717 Cc1cccc(c1NCC2CO2)C 34a_100000185769_102125554688 [0,0,0,1,0,0|2,0,1]=4 2816 B14R2.717 Cc1cccc(c1OCC2CC2)C 34a_100000210341_100000742324 [0,0,0,1,0,0|2,0,1]=4 2817 B14R2.717 Cc1cccc(c1OCC2CC2)C 7a_100000210341_100000742324 [0,0,0,1,0,0|2,0,1]=4 2818 B14R2.717 Cc1cccc(c1OCC2CO2)Br 34a_100009817157_102125554688 [0,0,0,1,0,0|2,0,1]=4 2819 B14R2.717 Cc1cccc(c1OCC2CO2)Br 7a_100009817157_102125554688 [0,0,0,1,0,0|2,0,1]=4 2820 B14R2.717 Cc1cccc(c1OCC2CO2)C 34a_100000210341_102125554688 [0,0,0,1,0,0|1,0,1]=3 2821 B14R2.717 Cc1cccc(c1OCC2CO2)C 7a_100000210341_102125554688 [0,0,0,1,0,0|1,0,1]=3 2822 B14R2.717 Cc1cccc(c1OCC2CO2)Cl 34a_100000033731_102125554688 [0,0,0,1,0,0|2,0,1]=4 2823 B14R2.717 Cc1cccc(c1OCC2CO2)Cl 7a_100000033731_102125554688 [0,0,0,1,0,0|2,0,1]=4 2824 B14R2.717 Cc1cccc(c1OCC2CO2)F 34a_100011659162_102125554688 [0,0,0,1,0,0|2,0,1]=4 2825 B14R2.717 Cc1cccc(c1OCC2CO2)F 7a_100011659162_102125554688 [0,0,0,1,0,0|2,0,1]=4 2826 B14R2.717 Cc1cccc(c1OCC2CO2)N 34a_100000756359_102125554688 [0,0,0,1,0,0|2,0,1]=4 2827 B14R2.717 Cc1cccc(c1OCC2CO2)N 7a_100000756359_102125554688 [0,0,0,1,0,0|2,0,1]=4 2828 B14R2.717 Cc1cccc(c1OCC2CS2)C 7a_100000210341_100000031435 [0,0,0,1,0,0|1,1,1]=4 2829 B14R2.717 Cc1cccc(c1OC[C@@H]2CO2)Br 7a_100009817157_100000745022 [0,0,0,1,0,0|2,0,1]=4 2830 B14R2.717 Cc1cccc(c1OC[C@@H]2CO2)C 7a_100000210341_100000745022 [0,0,0,1,0,0|1,0,1]=3 2831 B14R2.717 Cc1cccc(c1OC[C@@H]2CO2)Cl 7a_100000033731_100000745022 [0,0,0,1,0,0|2,0,1]=4 2832 B14R2.717 Cc1cccc(c1OC[C@@H]2CO2)F 7a_100011659162_100000745022 [0,0,0,1,0,0|2,0,1]=4 2833 B14R2.717 Cc1cccc(c1OC[C@@H]2CO2)N 7a_100000756359_100000745022 [0,0,0,1,0,0|2,0,1]=4 2834 B14R2.717 Cc1cccc(c1SCC2CO2)C 62a_100000033847_102125554688 [0,0,0,1,0,0|1,1,1]=4 2835 B14R2.717 Cc1cccc(c1SCC2CO2)C 62a_102125554688_100000033847 [0,0,0,1,0,0|1,1,1]=4 2836 B14R2.717 Cc1cccc(c1SC[C@@H]2CO2)C 62a_100000033847_100000745022 [0,0,0,1,0,0|1,1,1]=4 2837 B14R2.717 Cc1cccc(c1SC[C@@H]2CO2)C 62a_100000745022_100000033847 [0,0,0,1,0,0|1,1,1]=4 2838 B14R2.717 Cc1ccnc(c1OCC2CO2)C 34a_100011934651_102125554688 [0,0,0,1,0,0|2,0,1]=4 2839 B14R2.717 Cc1ccnc(c1OCC2CO2)C 7a_100011934651_102125554688 [0,0,0,1,0,0|2,0,1]=4 2840 B14R2.717 Cc1ccnc(c1OC[C@@H]2CO2)C 7a_100011934651_100000745022 [0,0,0,1,0,0|2,0,1]=4 2841 B14R2.7969 CC(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200000210301 [0,0,0,1,0,0|3,0,0]=4 2842 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)C 11a_100020635169_100015343762 [0,0,0,1,0,0|3,0,0]=4 2843 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)C 1626a_100020635169_100015343762 [0,0,0,1,0,0|3,0,0]=4 2844 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)C 240690a_100020635169_100015343762 [0,0,0,1,0,0|3,0,0]=4 2845 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)C 527a_100020635169_100103153847 [0,0,0,1,0,0|3,0,0]=4 2846 B14R2.7969 [13CH3]C(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200025704644 [0,0,0,1,0,0|3,0,0]=4 2847 B12R1.895 CC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_200000210301 [0,0,0,0,1,0|3,0,0]=4 2848 B12R1.895 CC(=O)CCn1c(ccc1C)C 1458a_100000721925_200000210301 [0,0,0,0,1,0|3,0,0]=4 2849 B12R1.895 Cc1c[nH]c(c1CCC(=O)[13CH3])C 1458a_100102525370_200025704644 [0,0,0,0,1,0|3,0,0]=4 2850 B12R1.895 Cc1ccc(n1CCC(=O)[13CH3])C 1458a_100000721925_200025704644 [0,0,0,0,1,0|3,0,0]=4 2851 B12R1.895 Cc1n[nH]c(c1OCC(=O)N)C 34a_100012186652_100000187820 [0,0,0,0,1,0|3,0,0]=4 2852 B12R1.895 Cc1n[nH]c(c1OCC(=O)[O-])C 34a_100012186652_100020667443 [0,0,0,0,1,0|2,0,1]=4 2853 B12R1.1009 CC(=Cc1c(cccc1C)C)C 271570a_100102525489_100000033847 [0,0,0,0,1,0|2,0,1]=4 2854 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,0,0,0,1,0|3,0,0]=4 2855 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,0,0,0,1,0|2,0,0]=3 2856 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,0,0,0,1,0|2,0,0]=3 2857 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,0,0,0,1,0|3,0,0]=4 2858 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,0,0,0,1,0|3,0,0]=4 2859 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,0,0,0,1,0|3,0,0]=4 2860 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,0,0,0,1,0|3,0,0]=4 2861 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,0,0,0,1,0|1,0,0]=2 2862 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,0,0,0,1,0|1,0,0]=2 2863 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,0,0,0,1,0|3,0,0]=4 2864 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,0,0,0,1,0|3,0,0]=4 2865 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,0,0,0,1,0|3,0,0]=4 2866 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,0,0,0,1,0|3,0,0]=4 2867 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,0,0,0,1,0|2,0,0]=3 2868 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,0,0,0,1,0|3,0,0]=4 2869 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,0,0,0,1,0|3,0,0]=4 2870 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,0,0,0,1,0|3,0,0]=4 2871 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,0,0,0,1,0|2,0,0]=3 2872 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,0,0,0,1,0|3,0,0]=4 2873 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,0,0,0,1,0|3,0,0]=4 2874 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,0,0,0,1,0|3,0,0]=4 2875 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,0,0,0,1,0|2,0,0]=3 2876 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,0,0,0,1,0|2,0,0]=3 2877 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,0,0,0,1,0|2,0,0]=3 2878 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,0,0,0,1,0|3,0,0]=4 2879 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,0,0,0,1,0|3,0,0]=4 2880 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,0,0,0,1,0|3,0,0]=4 2881 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,0,0,0,1,0|3,0,0]=4 2882 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,0,0,0,1,0|3,0,0]=4 2883 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,0,0,0,1,0|3,0,0]=4 2884 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,0,0,0,1,0|3,0,0]=4 2885 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,0,0,0,1,0|2,0,0]=3 2886 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,0,0,0,1,0|1,0,0]=2 2887 B12R1.1009 Cc1cccc(c1CN(C)C)C 2230a_100102631434_100000758300 [0,0,0,0,1,0|3,0,0]=4 2888 B12R1.1009 Cc1cccc(c1CN(C)C)C 269982a_100102631434_100000758300 [0,0,0,0,1,0|3,0,0]=4 2889 B12R1.1009 Cc1cccc(c1CN(C)C)C 270004a_100102631434_100000758299 [0,0,0,0,1,0|3,0,0]=4 2890 B12R1.1009 Cc1cccc(c1OC(C)C)C 34a_100000210341_100000210206 [0,0,0,0,1,0|2,0,1]=4 2891 B12R1.1009 Cc1cccc(c1OC(C)C)C 7a_100000210341_100000210206 [0,0,0,0,1,0|2,0,1]=4 2892 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,0,0,0,1,0|3,0,0]=4 2893 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,0,0,0,1,0|3,0,0]=4 2894 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,0,0,0,1,0|3,0,0]=4 2895 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,0,0,0,1,0|3,0,0]=4 2896 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,0,0,0,1,0|3,0,0]=4 2897 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,0,0,0,1,0|3,0,0]=4 2898 B14R1.4920 C=C(C)CCNc1c(cccc1C)C 34a_100000185769_100000730704 [0,0,0,0,0,1|3,0,0]=4 2899 B14R1.4920 C=C(C)CCOc1c(cccc1Br)C 34a_100009817157_100000730704 [0,0,0,0,0,1|3,0,0]=4 2900 B14R1.4920 C=C(C)CCOc1c(cccc1Br)C 7a_100009817157_100000730704 [0,0,0,0,0,1|3,0,0]=4 2901 B14R1.4920 C=C(C)CCOc1c(cccc1C)C 34a_100000210341_100000730704 [0,0,0,0,0,1|2,0,0]=3 2902 B14R1.4920 C=C(C)CCOc1c(cccc1C)C 7a_100000210341_100000730704 [0,0,0,0,0,1|2,0,0]=3 2903 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)C 34a_100000033731_100000730704 [0,0,0,0,0,1|3,0,0]=4 2904 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)C 7a_100000033731_100000730704 [0,0,0,0,0,1|3,0,0]=4 2905 B14R1.4920 C=C(C)CCOc1c(cccc1F)C 34a_100011659162_100000730704 [0,0,0,0,0,1|3,0,0]=4 2906 B14R1.4920 C=C(C)CCOc1c(cccc1F)C 7a_100011659162_100000730704 [0,0,0,0,0,1|3,0,0]=4 2907 B14R1.4920 C=C(C)CCOc1c(cccc1N)C 34a_100000756359_100000730704 [0,0,0,0,0,1|3,0,0]=4 2908 B14R1.4920 C=C(C)CCOc1c(cccc1N)C 7a_100000756359_100000730704 [0,0,0,0,0,1|3,0,0]=4 2909 B14R1.4920 C=C(C)CCOc1c(ccnc1C)C 34a_100011934651_100000730704 [0,0,0,0,0,1|3,0,0]=4 2910 B14R1.4920 C=C(C)CCOc1c(ccnc1C)C 7a_100011934651_100000730704 [0,0,0,0,0,1|3,0,0]=4 2911 B14R1.4920 C=C(C)CCSc1c(cccc1C)C 62a_100000033847_100000730704 [0,0,0,0,0,1|2,1,0]=4 2912 B14R1.4920 C=C(C)CCSc1c(cccc1C)C 62a_100000730704_100000033847 [0,0,0,0,0,1|2,1,0]=4 2913 B14R1.4920 C=C(C)CNCc1c(cccc1C)C 34a_100000689800_100000748629 [0,0,0,0,0,1|3,0,0]=4 2914 B14R1.4920 C=C(C)COCc1c(cccc1Br)C 34a_100000210245_100010146847 [0,0,0,0,0,1|3,0,0]=4 2915 B14R1.4920 C=C(C)COCc1c(cccc1C)C 34a_100000210245_100000758300 [0,0,0,0,0,1|2,0,0]=3 2916 B14R1.4920 C=C(C)COCc1c(cccc1C)C 34a_100011933981_100000748629 [0,0,0,0,0,1|2,0,0]=3 2917 B14R1.4920 C=C(C)COCc1c(cccc1C)C 7a_100011933981_100000748629 [0,0,0,0,0,1|2,0,0]=3 2918 B14R1.4920 C=C(C)COCc1c(cccc1Cl)C 34a_100000082531_100000748629 [0,0,0,0,0,1|3,0,0]=4 2919 B14R1.4920 C=C(C)COCc1c(cccc1Cl)C 7a_100000082531_100000748629 [0,0,0,0,0,1|3,0,0]=4 2920 B14R1.4920 C=C(C)COCc1c(cccc1F)C 34a_100000057874_100000748629 [0,0,0,0,0,1|3,0,0]=4 2921 B14R1.4920 C=C(C)COCc1c(cccc1F)C 34a_100000210245_100009814554 [0,0,0,0,0,1|3,0,0]=4 2922 B14R1.4920 C=C(C)COCc1c(cccc1F)C 7a_100000057874_100000748629 [0,0,0,0,0,1|3,0,0]=4 2923 B14R1.4920 C=C(C)COCc1c(cccc1I)C 34a_100000210245_100010150146 [0,0,0,0,0,1|3,0,0]=4 2924 B14R1.4920 C=C(C)CSCc1c(cccc1C)C 62a_100000748629_100000758300 [0,0,0,0,0,1|2,1,0]=4 2925 B14R1.4920 C=C(C)CSCc1c(cccc1C)C 62a_100000758300_100000211660 [0,0,0,0,0,1|2,1,0]=4 2926 B14R1.4920 C=C(F)CNCc1c(cccc1C)C 34a_100000689800_100009893438 [0,0,0,0,0,1|3,0,0]=4 2927 B14R1.4920 C=C(F)COCc1c(cccc1Br)C 34a_200010262243_100010146847 [0,0,0,0,0,1|3,0,0]=4 2928 B14R1.4920 C=C(F)COCc1c(cccc1C)C 34a_100011933981_100009893438 [0,0,0,0,0,1|2,0,0]=3 2929 B14R1.4920 C=C(F)COCc1c(cccc1C)C 34a_200010262243_100000758300 [0,0,0,0,0,1|2,0,0]=3 2930 B14R1.4920 C=C(F)COCc1c(cccc1C)C 7a_100011933981_100000042424 [0,0,0,0,0,1|2,0,0]=3 2931 B14R1.4920 C=C(F)COCc1c(cccc1Cl)C 34a_100000082531_100009893438 [0,0,0,0,0,1|3,0,0]=4 2932 B14R1.4920 C=C(F)COCc1c(cccc1Cl)C 7a_100000082531_100000042424 [0,0,0,0,0,1|3,0,0]=4 2933 B14R1.4920 C=C(F)COCc1c(cccc1F)C 34a_100000057874_100009893438 [0,0,0,0,0,1|3,0,0]=4 2934 B14R1.4920 C=C(F)COCc1c(cccc1F)C 34a_200010262243_100009814554 [0,0,0,0,0,1|3,0,0]=4 2935 B14R1.4920 C=C(F)COCc1c(cccc1F)C 7a_100000057874_100000042424 [0,0,0,0,0,1|3,0,0]=4 2936 B14R1.4920 C=C(F)COCc1c(cccc1I)C 34a_200010262243_100010150146 [0,0,0,0,0,1|3,0,0]=4 2937 B14R1.4920 C=C(F)CSCc1c(cccc1C)C 62a_100000042424_100000758300 [0,0,0,0,0,1|2,1,0]=4 2938 B14R1.4920 C=C(F)CSCc1c(cccc1C)C 62a_100000758300_100000042424 [0,0,0,0,0,1|2,1,0]=4 2939 B14R1.4920 CC(=CCNc1c(cccc1C)C)C 34a_100000185769_100000761012 [0,0,0,0,0,1|3,0,0]=4 2940 B14R1.4920 CC(=CCOc1c(cccc1Br)C)C 34a_100009817157_100000761012 [0,0,0,0,0,1|3,0,0]=4 2941 B14R1.4920 CC(=CCOc1c(cccc1Br)C)C 7a_100009817157_100000761012 [0,0,0,0,0,1|3,0,0]=4 2942 B14R1.4920 CC(=CCOc1c(cccc1C)C)C 34a_100000210341_100000761012 [0,0,0,0,0,1|2,0,0]=3 2943 B14R1.4920 CC(=CCOc1c(cccc1C)C)C 7a_100000210341_100000761012 [0,0,0,0,0,1|2,0,0]=3 2944 B14R1.4920 CC(=CCOc1c(cccc1Cl)C)C 34a_100000033731_100000761012 [0,0,0,0,0,1|3,0,0]=4 2945 B14R1.4920 CC(=CCOc1c(cccc1Cl)C)C 7a_100000033731_100000761012 [0,0,0,0,0,1|3,0,0]=4 2946 B14R1.4920 CC(=CCOc1c(cccc1F)C)C 34a_100011659162_100000761012 [0,0,0,0,0,1|3,0,0]=4 2947 B14R1.4920 CC(=CCOc1c(cccc1F)C)C 7a_100011659162_100000761012 [0,0,0,0,0,1|3,0,0]=4 2948 B14R1.4920 CC(=CCOc1c(cccc1N)C)C 34a_100000756359_100000761012 [0,0,0,0,0,1|3,0,0]=4 2949 B14R1.4920 CC(=CCOc1c(cccc1N)C)C 7a_100000756359_100000761012 [0,0,0,0,0,1|3,0,0]=4 2950 B14R1.4920 CC(=CCOc1c(ccnc1C)C)C 34a_100011934651_100000761012 [0,0,0,0,0,1|3,0,0]=4 2951 B14R1.4920 CC(=CCOc1c(ccnc1C)C)C 7a_100011934651_100000761012 [0,0,0,0,0,1|3,0,0]=4 2952 B14R1.4920 CC(=CCSc1c(cccc1C)C)C 62a_100000033847_100000761012 [0,0,0,0,0,1|2,1,0]=4 2953 B14R1.4920 CC(=CCSc1c(cccc1C)C)C 62a_100000761012_100000033847 [0,0,0,0,0,1|2,1,0]=4 2954 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000053229 [0,0,0,0,0,1|3,0,0]=4 2955 B14R1.4920 CC(=O)CCOc1c(cccc1Br)C 7a_100009817157_100000053229 [0,0,0,0,0,1|2,0,0]=3 2956 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000053229 [0,0,0,0,0,1|3,0,0]=4 2957 B14R1.4920 CC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000053229 [0,0,0,0,0,1|3,0,0]=4 2958 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_100000070787_100000184555 [0,0,0,0,0,1|1,0,0]=2 2959 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_200000738035_200000210301 [0,0,0,0,0,1|1,0,0]=2 2960 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 7a_100000210341_100000053229 [0,0,0,0,0,1|1,0,0]=2 2961 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)C 7a_100000033731_100000053229 [0,0,0,0,0,1|2,0,0]=3 2962 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 1458a_100000070787_100000184560 [0,0,0,0,0,1|3,0,0]=4 2963 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000053229 [0,0,0,0,0,1|3,0,0]=4 2964 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000053229 [0,0,0,0,0,1|3,0,0]=4 2965 B14R1.4920 CC(=O)CCOc1c(cccc1F)C 7a_100011659162_100000053229 [0,0,0,0,0,1|2,0,0]=3 2966 B14R1.4920 CC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000053229 [0,0,0,0,0,1|3,0,0]=4 2967 B14R1.4920 CC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000053229 [0,0,0,0,0,1|3,0,0]=4 2968 B14R1.4920 CC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000053229 [0,0,0,0,0,1|3,0,0]=4 2969 B14R1.4920 CC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000053229 [0,0,0,0,0,1|3,0,0]=4 2970 B14R1.4920 CC(=O)CCOc1c(cccc1N)C 7a_100000756359_100000053229 [0,0,0,0,0,1|2,0,0]=3 2971 B14R1.4920 CC(=O)CCOc1c(ccnc1C)C 7a_100011934651_100000053229 [0,0,0,0,0,1|2,0,0]=3 2972 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)C 7a_100000696282_100000053229 [0,0,0,0,0,1|3,0,0]=4 2973 B14R1.4920 CC(=O)CCOc1c(ncnc1C)C 7a_100009878406_100000053229 [0,0,0,0,0,1|3,0,0]=4 2974 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100000053229_100010141302 [0,0,0,0,0,1|2,1,0]=4 2975 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100010141302_100000053229 [0,0,0,0,0,1|2,1,0]=4 2976 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000033847_100000053229 [0,0,0,0,0,1|1,1,0]=3 2977 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000053229_100000033847 [0,0,0,0,0,1|1,1,0]=3 2978 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000043165_100000053229 [0,0,0,0,0,1|2,1,0]=4 2979 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000053229_100000043165 [0,0,0,0,0,1|2,1,0]=4 2980 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100000053229_100011218421 [0,0,0,0,0,1|2,1,0]=4 2981 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100011218421_100000053229 [0,0,0,0,0,1|2,1,0]=4 2982 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000053229_100000684715 [0,0,0,0,0,1|2,1,0]=4 2983 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000684715_100000053229 [0,0,0,0,0,1|2,1,0]=4 2984 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000053229_100000686692 [0,0,0,0,0,1|2,1,0]=4 2985 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000686692_100000053229 [0,0,0,0,0,1|2,1,0]=4 2986 B14R1.4920 CC(=O)CCSc1c(ccnc1C)C 62a_100000053229_100012000501 [0,0,0,0,0,1|2,1,0]=4 2987 B14R1.4920 CC(=O)CCSc1c(ccnc1C)C 62a_100012000501_100000053229 [0,0,0,0,0,1|2,1,0]=4 2988 B14R1.4920 CC(=O)CCSc1c(cncc1C)C 62a_100000053229_100009817138 [0,0,0,0,0,1|2,1,0]=4 2989 B14R1.4920 CC(=O)CCSc1c(cncc1C)C 62a_100009817138_100000053229 [0,0,0,0,0,1|2,1,0]=4 2990 B14R1.4920 CC(=O)COCc1c(cccc1Br)C 34a_100000211253_100010146847 [0,0,0,0,0,1|2,0,0]=3 2991 B14R1.4920 CC(=O)COCc1c(cccc1Br)Cl 34a_100000211253_100010138402 [0,0,0,0,0,1|3,0,0]=4 2992 B14R1.4920 CC(=O)COCc1c(cccc1Br)F 34a_100000211253_100012145669 [0,0,0,0,0,1|3,0,0]=4 2993 B14R1.4920 CC(=O)COCc1c(cccc1C)C 34a_100000211253_100000758300 [0,0,0,0,0,1|1,0,0]=2 2994 B14R1.4920 CC(=O)COCc1c(cccc1Cl)Cl 34a_100000211253_100000187851 [0,0,0,0,0,1|3,0,0]=4 2995 B14R1.4920 CC(=O)COCc1c(cccc1Cl)F 34a_100000211253_100000187852 [0,0,0,0,0,1|3,0,0]=4 2996 B14R1.4920 CC(=O)COCc1c(cccc1F)C 34a_100000211253_100009814554 [0,0,0,0,0,1|2,0,0]=3 2997 B14R1.4920 CC(=O)COCc1c(cccc1F)F 34a_100000211253_100000698325 [0,0,0,0,0,1|3,0,0]=4 2998 B14R1.4920 CC(=O)COCc1c(cccc1I)Br 34a_100000211253_100010146611 [0,0,0,0,0,1|3,0,0]=4 2999 B14R1.4920 CC(=O)COCc1c(cccc1I)C 34a_100000211253_100010150146 [0,0,0,0,0,1|2,0,0]=3 3000 B14R1.4920 CC(=O)COCc1c(cccc1I)F 34a_100000211253_100010149602 [0,0,0,0,0,1|3,0,0]=4 3001 B14R1.4920 CC(=O)NN=Cc1c(cccc1C)C 4a_100000189765_100000758299 [0,0,0,0,0,1|3,0,0]=4 3002 B14R1.4920 CC(=O)OCNc1c(cccc1Br)C 34a_100011834072_100009813279 [0,0,0,0,0,1|3,0,0]=4 3003 B14R1.4920 CC(=O)OCNc1c(cccc1C)C 34a_100000185769_100009813279 [0,0,0,0,0,1|2,0,0]=3 3004 B14R1.4920 CC(=O)OCNc1c(cccc1Cl)C 34a_100000756524_100009813279 [0,0,0,0,0,1|3,0,0]=4 3005 B14R1.4920 CC(=O)OCNc1c(cccc1F)C 34a_100000766463_100009813279 [0,0,0,0,0,1|3,0,0]=4 3006 B14R1.4920 CC(=O)OCNc1c(cccc1O)C 34a_100000743429_100009813279 [0,0,0,0,0,1|3,0,0]=4 3007 B14R1.4920 CC(=O)OCOc1c(cccc1Br)Br 34a_100000736428_100009813279 [0,0,0,0,0,1|3,0,0]=4 3008 B14R1.4920 CC(=O)OCOc1c(cccc1Br)C 34a_100009817157_100009813279 [0,0,0,0,0,1|2,0,0]=3 3009 B14R1.4920 CC(=O)OCOc1c(cccc1Br)Cl 34a_100010214474_100009813279 [0,0,0,0,0,1|3,0,0]=4 3010 B14R1.4920 CC(=O)OCOc1c(cccc1Br)F 34a_100009813666_100009813279 [0,0,0,0,0,1|3,0,0]=4 3011 B14R1.4920 CC(=O)OCOc1c(cccc1Br)N 34a_100011934915_100009813279 [0,0,0,0,0,1|3,0,0]=4 3012 B14R1.4920 CC(=O)OCOc1c(cccc1C)C 34a_100000210341_100009813279 [0,0,0,0,0,1|1,0,0]=2 3013 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)C 34a_100000033731_100009813279 [0,0,0,0,0,1|2,0,0]=3 3014 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)Cl 34a_100000211709_100009813279 [0,0,0,0,0,1|3,0,0]=4 3015 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)F 34a_100000694953_100009813279 [0,0,0,0,0,1|3,0,0]=4 3016 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)N 34a_100000754742_100009813279 [0,0,0,0,0,1|3,0,0]=4 3017 B14R1.4920 CC(=O)OCOc1c(cccc1F)C 34a_100011659162_100009813279 [0,0,0,0,0,1|2,0,0]=3 3018 B14R1.4920 CC(=O)OCOc1c(cccc1F)F 34a_100000230165_100009813279 [0,0,0,0,0,1|3,0,0]=4 3019 B14R1.4920 CC(=O)OCOc1c(cccc1F)N 34a_100011934987_100009813279 [0,0,0,0,0,1|3,0,0]=4 3020 B14R1.4920 CC(=O)OCOc1c(cccc1I)Br 34a_100010084509_100009813279 [0,0,0,0,0,1|3,0,0]=4 3021 B14R1.4920 CC(=O)OCOc1c(cccc1I)Cl 34a_100010202889_100009813279 [0,0,0,0,0,1|3,0,0]=4 3022 B14R1.4920 CC(=O)OCOc1c(cccc1I)F 34a_100010186298_100009813279 [0,0,0,0,0,1|3,0,0]=4 3023 B14R1.4920 CC(=O)OCOc1c(cccc1I)N 34a_100010084371_100009813279 [0,0,0,0,0,1|3,0,0]=4 3024 B14R1.4920 CC(=O)OCOc1c(cccc1N)C 34a_100000756359_100009813279 [0,0,0,0,0,1|2,0,0]=3 3025 B14R1.4920 CC(=O)OCOc1c(cccc1N)N 34a_200016994477_100009813279 [0,0,0,0,0,1|3,0,0]=4 3026 B14R1.4920 CC(=O)OCOc1c(ccnc1C)C 34a_100011934651_100009813279 [0,0,0,0,0,1|2,0,0]=3 3027 B14R1.4920 CC(=O)OCOc1c(ccnc1Cl)C 34a_100000696282_100009813279 [0,0,0,0,0,1|3,0,0]=4 3028 B14R1.4920 CC(=O)OCOc1c(ncnc1C)C 34a_100009878406_100009813279 [0,0,0,0,0,1|3,0,0]=4 3029 B14R1.4920 CC(=O)OCOc1c(occc1=O)C 34a_100000031901_100009813279 [0,0,0,0,0,1|3,0,0]=4 3030 B14R1.4920 CC(=O)OCSc1c(cccc1Br)C 62a_100000076356_100010141302 [0,0,0,0,0,1|2,1,0]=4 3031 B14R1.4920 CC(=O)OCSc1c(cccc1Br)C 62a_100010141302_100000076356 [0,0,0,0,0,1|2,1,0]=4 3032 B14R1.4920 CC(=O)OCSc1c(cccc1C)C 62a_100000033847_100000076356 [0,0,0,0,0,1|1,1,0]=3 3033 B14R1.4920 CC(=O)OCSc1c(cccc1C)C 62a_100000076356_100000033847 [0,0,0,0,0,1|1,1,0]=3 3034 B14R1.4920 CC(=O)OCSc1c(cccc1Cl)C 62a_100000043165_100000076356 [0,0,0,0,0,1|2,1,0]=4 3035 B14R1.4920 CC(=O)OCSc1c(cccc1Cl)C 62a_100000076356_100000043165 [0,0,0,0,0,1|2,1,0]=4 3036 B14R1.4920 CC(=O)OCSc1c(cccc1F)C 62a_100000076356_100011218421 [0,0,0,0,0,1|2,1,0]=4 3037 B14R1.4920 CC(=O)OCSc1c(cccc1F)C 62a_100011218421_100000076356 [0,0,0,0,0,1|2,1,0]=4 3038 B14R1.4920 CC(=O)OCSc1c(cccc1N)C 62a_100000076356_100000684715 [0,0,0,0,0,1|2,1,0]=4 3039 B14R1.4920 CC(=O)OCSc1c(cccc1N)C 62a_100000684715_100000076356 [0,0,0,0,0,1|2,1,0]=4 3040 B14R1.4920 CC(=O)OCSc1c(cccc1O)C 62a_100000076356_100000686692 [0,0,0,0,0,1|2,1,0]=4 3041 B14R1.4920 CC(=O)OCSc1c(cccc1O)C 62a_100000686692_100000076356 [0,0,0,0,0,1|2,1,0]=4 3042 B14R1.4920 CC(=O)OCSc1c(ccnc1C)C 62a_100000076356_100012000501 [0,0,0,0,0,1|2,1,0]=4 3043 B14R1.4920 CC(=O)OCSc1c(ccnc1C)C 62a_100012000501_100000076356 [0,0,0,0,0,1|2,1,0]=4 3044 B14R1.4920 CC(=O)OCSc1c(cncc1C)C 62a_100000076356_100009817138 [0,0,0,0,0,1|2,1,0]=4 3045 B14R1.4920 CC(=O)OCSc1c(cncc1C)C 62a_100009817138_100000076356 [0,0,0,0,0,1|2,1,0]=4 3046 B14R1.4920 Cc1cccc(c1CNCC(=O)N)Br 2230a_100000711301_100010146847 [0,0,0,0,0,1|3,0,0]=4 3047 B14R1.4920 Cc1cccc(c1CNCC(=O)N)C 2230a_100000711301_100000758300 [0,0,0,0,0,1|2,0,0]=3 3048 B14R1.4920 Cc1cccc(c1CNCC(=O)N)C 34a_100000689800_100000187820 [0,0,0,0,0,1|2,0,0]=3 3049 B14R1.4920 Cc1cccc(c1CNCC(=O)N)F 2230a_100000711301_100009814554 [0,0,0,0,0,1|3,0,0]=4 3050 B14R1.4920 Cc1cccc(c1CNCC(=O)N)F 34a_100000762012_100000187820 [0,0,0,0,0,1|3,0,0]=4 3051 B14R1.4920 Cc1cccc(c1CNCC(=O)N)I 2230a_100000711301_100010150146 [0,0,0,0,0,1|3,0,0]=4 3052 B14R1.4920 Cc1cccc(c1CNCC(=O)O)Br 269956a_100016091260_100010146847 [0,0,0,0,0,1|2,0,0]=3 3053 B14R1.4920 Cc1cccc(c1CNCC(=O)O)C 269956a_100016091260_100000758300 [0,0,0,0,0,1|1,0,0]=2 3054 B14R1.4920 Cc1cccc(c1CNCC(=O)O)F 269956a_100016091260_100009814554 [0,0,0,0,0,1|2,0,0]=3 3055 B14R1.4920 Cc1cccc(c1CNCC(=O)O)I 269956a_100016091260_100010150146 [0,0,0,0,0,1|2,0,0]=3 3056 B14R1.4920 Cc1cccc(c1CNCC(=O)[O-])C 34a_100000689800_100020667443 [0,0,0,0,0,1|1,0,1]=3 3057 B14R1.4920 Cc1cccc(c1CNCC(=O)[O-])F 34a_100000762012_100020667443 [0,0,0,0,0,1|2,0,1]=4 3058 B14R1.4920 Cc1cccc(c1CNCC(C)O)C 207a_100000210904_100000758299 [0,0,0,0,0,1|2,0,1]=4 3059 B14R1.4920 Cc1cccc(c1CNCC(C)O)C 2230a_100000210904_100000758300 [0,0,0,0,0,1|2,0,1]=4 3060 B14R1.4920 Cc1cccc(c1CNCC(C)O)C 270004a_100000210904_100000758299 [0,0,0,0,0,1|2,0,1]=4 3061 B14R1.4920 Cc1cccc(c1CNCC(C)O)C 34a_100000210904_100000758300 [0,0,0,0,0,1|2,0,1]=4 3062 B14R1.4920 Cc1cccc(c1CNCC(C)O)C 34a_100000689800_100011218427 [0,0,0,0,0,1|2,0,1]=4 3063 B14R1.4920 Cc1cccc(c1CNC[C@@H](C)O)C 34a_100000689800_100009817552 [0,0,0,0,0,1|2,0,1]=4 3064 B14R1.4920 Cc1cccc(c1CNC[N+](=O)[O-])C 34a_100000689800_100000761209 [0,0,0,0,0,1|2,0,1]=4 3065 B14R1.4920 Cc1cccc(c1COCC(=O)N)C 34a_100011933981_100000187820 [0,0,0,0,0,1|1,0,0]=2 3066 B14R1.4920 Cc1cccc(c1COCC(=O)N)C 7a_100011933981_100000187820 [0,0,0,0,0,1|1,0,0]=2 3067 B14R1.4920 Cc1cccc(c1COCC(=O)N)Cl 34a_100000082531_100000187820 [0,0,0,0,0,1|2,0,0]=3 3068 B14R1.4920 Cc1cccc(c1COCC(=O)N)Cl 7a_100000082531_100000187820 [0,0,0,0,0,1|2,0,0]=3 3069 B14R1.4920 Cc1cccc(c1COCC(=O)N)F 34a_100000057874_100000187820 [0,0,0,0,0,1|2,0,0]=3 3070 B14R1.4920 Cc1cccc(c1COCC(=O)N)F 7a_100000057874_100000187820 [0,0,0,0,0,1|2,0,0]=3 3071 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])C 34a_100011933981_100020667443 [0,0,0,0,0,1|0,0,1]=2 3072 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])Cl 34a_100000082531_100020667443 [0,0,0,0,0,1|1,0,1]=3 3073 B14R1.4920 Cc1cccc(c1COCC(=O)[O-])F 34a_100000057874_100020667443 [0,0,0,0,0,1|1,0,1]=3 3074 B14R1.4920 Cc1cccc(c1COCC(C)Br)C 34a_100012180447_100000758300 [0,0,0,0,0,1|2,0,1]=4 3075 B14R1.4920 Cc1cccc(c1COCC(C)C)C 34a_100000210257_100000758300 [0,0,0,0,0,1|2,0,1]=4 3076 B14R1.4920 Cc1cccc(c1COCC(C)C)C 34a_100011933981_100000210624 [0,0,0,0,0,1|2,0,1]=4 3077 B14R1.4920 Cc1cccc(c1COCC(C)C)C 7a_100011933981_100000210760 [0,0,0,0,0,1|2,0,1]=4 3078 B14R1.4920 Cc1cccc(c1COCC(C)F)C 34a_100015925927_100000758300 [0,0,0,0,0,1|2,0,1]=4 3079 B14R1.4920 Cc1cccc(c1COCC(C)O)C 34a_100011933981_100011218427 [0,0,0,0,0,1|1,0,1]=3 3080 B14R1.4920 Cc1cccc(c1COCC(C)O)C 7a_100011933981_100011218427 [0,0,0,0,0,1|1,0,1]=3 3081 B14R1.4920 Cc1cccc(c1COCC(C)O)Cl 34a_100000082531_100011218427 [0,0,0,0,0,1|2,0,1]=4 3082 B14R1.4920 Cc1cccc(c1COCC(C)O)Cl 7a_100000082531_100011218427 [0,0,0,0,0,1|2,0,1]=4 3083 B14R1.4920 Cc1cccc(c1COCC(C)O)F 34a_100000057874_100011218427 [0,0,0,0,0,1|2,0,1]=4 3084 B14R1.4920 Cc1cccc(c1COCC(C)O)F 7a_100000057874_100011218427 [0,0,0,0,0,1|2,0,1]=4 3085 B14R1.4920 Cc1cccc(c1COCC(F)F)C 34a_100000743014_100000758300 [0,0,0,0,0,1|2,0,1]=4 3086 B14R1.4920 Cc1cccc(c1COCC(F)F)C 34a_100011933981_100011934356 [0,0,0,0,0,1|2,0,1]=4 3087 B14R1.4920 Cc1cccc(c1COCC(F)F)C 7a_100011933981_100011934356 [0,0,0,0,0,1|2,0,1]=4 3088 B14R1.4920 Cc1cccc(c1COC[C@@H](C)Cl)C 34a_100016084084_100000758300 [0,0,0,0,0,1|2,0,1]=4 3089 B14R1.4920 Cc1cccc(c1COC[C@@H](C)N)C 34a_100000737577_100000758300 [0,0,0,0,0,1|2,0,1]=4 3090 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)C 34a_100011933981_100009817552 [0,0,0,0,0,1|1,0,1]=3 3091 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)C 7a_100011933981_100009817552 [0,0,0,0,0,1|1,0,1]=3 3092 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)Cl 34a_100000082531_100009817552 [0,0,0,0,0,1|2,0,1]=4 3093 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)Cl 7a_100000082531_100009817552 [0,0,0,0,0,1|2,0,1]=4 3094 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)F 34a_100000057874_100009817552 [0,0,0,0,0,1|2,0,1]=4 3095 B14R1.4920 Cc1cccc(c1COC[C@@H](C)O)F 7a_100000057874_100009817552 [0,0,0,0,0,1|2,0,1]=4 3096 B14R1.4920 Cc1cccc(c1COC[N+](=O)[O-])C 34a_100011933981_100000761209 [0,0,0,0,0,1|1,0,1]=3 3097 B14R1.4920 Cc1cccc(c1COC[N+](=O)[O-])Cl 34a_100000082531_100000761209 [0,0,0,0,0,1|2,0,1]=4 3098 B14R1.4920 Cc1cccc(c1COC[N+](=O)[O-])F 34a_100000057874_100000761209 [0,0,0,0,0,1|2,0,1]=4 3099 B14R1.4920 Cc1cccc(c1CSCC(=O)N)Br 62a_100000747473_100010146847 [0,0,0,0,0,1|2,1,0]=4 3100 B14R1.4920 Cc1cccc(c1CSCC(=O)N)Br 62a_100010146847_100000747473 [0,0,0,0,0,1|2,1,0]=4 3101 B14R1.4920 Cc1cccc(c1CSCC(=O)N)C 62a_100000747473_100000758300 [0,0,0,0,0,1|1,1,0]=3 3102 B14R1.4920 Cc1cccc(c1CSCC(=O)N)C 62a_100000758300_100000747473 [0,0,0,0,0,1|1,1,0]=3 3103 B14R1.4920 Cc1cccc(c1CSCC(=O)N)F 62a_100000747473_100009814554 [0,0,0,0,0,1|2,1,0]=4 3104 B14R1.4920 Cc1cccc(c1CSCC(=O)N)F 62a_100009814554_100000747473 [0,0,0,0,0,1|2,1,0]=4 3105 B14R1.4920 Cc1cccc(c1CSCC(=O)N)I 62a_100000747473_100010150146 [0,0,0,0,0,1|2,1,0]=4 3106 B14R1.4920 Cc1cccc(c1CSCC(=O)N)I 62a_100010150146_100000747473 [0,0,0,0,0,1|2,1,0]=4 3107 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])Br 62a_100010146847_100020667443 [0,0,0,0,0,1|1,1,1]=4 3108 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])Br 62a_100020667443_100010146847 [0,0,0,0,0,1|1,1,1]=4 3109 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])C 62a_100000758300_100020667443 [0,0,0,0,0,1|0,1,1]=3 3110 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])C 62a_100020667443_100000758300 [0,0,0,0,0,1|0,1,1]=3 3111 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])F 62a_100009814554_100020667443 [0,0,0,0,0,1|1,1,1]=4 3112 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])F 62a_100020667443_100009814554 [0,0,0,0,0,1|1,1,1]=4 3113 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])I 62a_100010150146_100020667443 [0,0,0,0,0,1|1,1,1]=4 3114 B14R1.4920 Cc1cccc(c1CSCC(=O)[O-])I 62a_100020667443_100010150146 [0,0,0,0,0,1|1,1,1]=4 3115 B14R1.4920 Cc1cccc(c1CSCC(C)O)C 62a_100000758300_100011218427 [0,0,0,0,0,1|1,1,1]=4 3116 B14R1.4920 Cc1cccc(c1CSCC(C)O)C 62a_100011218427_100000758300 [0,0,0,0,0,1|1,1,1]=4 3117 B14R1.4920 Cc1cccc(c1CSC[C@@H](C)O)C 62a_100000758300_100009817552 [0,0,0,0,0,1|1,1,1]=4 3118 B14R1.4920 Cc1cccc(c1CSC[C@@H](C)O)C 62a_100009817552_100000758300 [0,0,0,0,0,1|1,1,1]=4 3119 B14R1.4920 Cc1cccc(c1CSC[N+](=O)[O-])C 62a_100000758300_100000761209 [0,0,0,0,0,1|1,1,1]=4 3120 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Br 34a_100011834072_100000731001 [0,0,0,0,0,1|3,0,0]=4 3121 B14R1.4920 Cc1cccc(c1NCCC(=O)N)C 34a_100000185769_100000731001 [0,0,0,0,0,1|2,0,0]=3 3122 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Cl 34a_100000756524_100000731001 [0,0,0,0,0,1|3,0,0]=4 3123 B14R1.4920 Cc1cccc(c1NCCC(=O)N)F 34a_100000766463_100000731001 [0,0,0,0,0,1|3,0,0]=4 3124 B14R1.4920 Cc1cccc(c1NCCC(=O)N)O 34a_100000743429_100000731001 [0,0,0,0,0,1|3,0,0]=4 3125 B14R1.4920 Cc1cccc(c1NCCC(C)O)C 34a_100000185769_100012276601 [0,0,0,0,0,1|2,0,1]=4 3126 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 34a_100009817157_100000731001 [0,0,0,0,0,1|2,0,0]=3 3127 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 7a_100009817157_100000744528 [0,0,0,0,0,1|2,0,0]=3 3128 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 34a_100000210341_100000731001 [0,0,0,0,0,1|1,0,0]=2 3129 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 7a_100000210341_100000744528 [0,0,0,0,0,1|1,0,0]=2 3130 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 34a_100000033731_100000731001 [0,0,0,0,0,1|2,0,0]=3 3131 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 7a_100000033731_100000744528 [0,0,0,0,0,1|2,0,0]=3 3132 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 34a_100011659162_100000731001 [0,0,0,0,0,1|2,0,0]=3 3133 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 7a_100011659162_100000744528 [0,0,0,0,0,1|2,0,0]=3 3134 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 34a_100000756359_100000731001 [0,0,0,0,0,1|2,0,0]=3 3135 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 7a_100000756359_100000744528 [0,0,0,0,0,1|2,0,0]=3 3136 B14R1.4920 Cc1cccc(c1OCCC(=O)[13CH3])C 1458a_200000738035_200025704644 [0,0,0,0,0,1|1,0,0]=2 3137 B14R1.4920 Cc1cccc(c1OCCC(C)C)C 34a_100000210341_100000210312 [0,0,0,0,0,1|2,0,1]=4 3138 B14R1.4920 Cc1cccc(c1OCCC(C)C)C 7a_100000210341_100000210626 [0,0,0,0,0,1|2,0,1]=4 3139 B14R1.4920 Cc1cccc(c1OCCC(C)O)Br 34a_100009817157_100012276601 [0,0,0,0,0,1|2,0,1]=4 3140 B14R1.4920 Cc1cccc(c1OCCC(C)O)Br 7a_100009817157_100012276601 [0,0,0,0,0,1|2,0,1]=4 3141 B14R1.4920 Cc1cccc(c1OCCC(C)O)C 34a_100000210341_100012276601 [0,0,0,0,0,1|1,0,1]=3 3142 B14R1.4920 Cc1cccc(c1OCCC(C)O)C 7a_100000210341_100012276601 [0,0,0,0,0,1|1,0,1]=3 3143 B14R1.4920 Cc1cccc(c1OCCC(C)O)Cl 34a_100000033731_100012276601 [0,0,0,0,0,1|2,0,1]=4 3144 B14R1.4920 Cc1cccc(c1OCCC(C)O)Cl 7a_100000033731_100012276601 [0,0,0,0,0,1|2,0,1]=4 3145 B14R1.4920 Cc1cccc(c1OCCC(C)O)F 34a_100011659162_100012276601 [0,0,0,0,0,1|2,0,1]=4 3146 B14R1.4920 Cc1cccc(c1OCCC(C)O)F 7a_100011659162_100012276601 [0,0,0,0,0,1|2,0,1]=4 3147 B14R1.4920 Cc1cccc(c1OCCC(C)O)N 34a_100000756359_100012276601 [0,0,0,0,0,1|2,0,1]=4 3148 B14R1.4920 Cc1cccc(c1OCCC(C)O)N 7a_100000756359_100012276601 [0,0,0,0,0,1|2,0,1]=4 3149 B14R1.4920 Cc1cccc(c1OCCN(C)C)C 2230a_100102631434_100000184555 [0,0,0,0,0,1|3,0,0]=4 3150 B14R1.4920 Cc1cccc(c1OCCN(C)C)C 269982a_100102631434_100000184555 [0,0,0,0,0,1|3,0,0]=4 3151 B14R1.4920 Cc1cccc(c1OCCN(C)C)C 7a_100000210341_100000755713 [0,0,0,0,0,1|3,0,0]=4 3152 B14R1.4920 Cc1cccc(c1OCOC(C)C)C 34a_100000210341_100000709892 [0,0,0,0,0,1|2,0,1]=4 3153 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100000744528_100010141302 [0,0,0,0,0,1|2,1,0]=4 3154 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100010141302_100000744528 [0,0,0,0,0,1|2,1,0]=4 3155 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000033847_100000744528 [0,0,0,0,0,1|1,1,0]=3 3156 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000744528_100000033847 [0,0,0,0,0,1|1,1,0]=3 3157 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000043165_100000744528 [0,0,0,0,0,1|2,1,0]=4 3158 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000744528_100000043165 [0,0,0,0,0,1|2,1,0]=4 3159 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100000744528_100011218421 [0,0,0,0,0,1|2,1,0]=4 3160 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100011218421_100000744528 [0,0,0,0,0,1|2,1,0]=4 3161 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000684715_100000744528 [0,0,0,0,0,1|2,1,0]=4 3162 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000744528_100000684715 [0,0,0,0,0,1|2,1,0]=4 3163 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000686692_100000744528 [0,0,0,0,0,1|2,1,0]=4 3164 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000744528_100000686692 [0,0,0,0,0,1|2,1,0]=4 3165 B14R1.4920 Cc1cccc(c1SCCC(C)O)C 62a_100000033847_100012276601 [0,0,0,0,0,1|1,1,1]=4 3166 B14R1.4920 Cc1cccc(c1SCCC(C)O)C 62a_100012276601_100000033847 [0,0,0,0,0,1|1,1,1]=4 3167 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)C 34a_100011934651_100000731001 [0,0,0,0,0,1|2,0,0]=3 3168 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)C 7a_100011934651_100000744528 [0,0,0,0,0,1|2,0,0]=3 3169 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)Cl 34a_100000696282_100000731001 [0,0,0,0,0,1|3,0,0]=4 3170 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)Cl 7a_100000696282_100000744528 [0,0,0,0,0,1|3,0,0]=4 3171 B14R1.4920 Cc1ccnc(c1OCCC(C)O)C 34a_100011934651_100012276601 [0,0,0,0,0,1|2,0,1]=4 3172 B14R1.4920 Cc1ccnc(c1OCCC(C)O)C 7a_100011934651_100012276601 [0,0,0,0,0,1|2,0,1]=4 3173 B14R1.4920 Cc1ccnc(c1SCCC(=O)N)C 62a_100000744528_100012000501 [0,0,0,0,0,1|2,1,0]=4 3174 B14R1.4920 Cc1ccnc(c1SCCC(=O)N)C 62a_100012000501_100000744528 [0,0,0,0,0,1|2,1,0]=4 3175 B14R1.4920 Cc1cncc(c1SCCC(=O)N)C 62a_100000744528_100009817138 [0,0,0,0,0,1|2,1,0]=4 3176 B14R1.4920 Cc1cncc(c1SCCC(=O)N)C 62a_100009817138_100000744528 [0,0,0,0,0,1|2,1,0]=4 3177 B14R1.4920 Cc1ncnc(c1OCCC(=O)N)C 34a_100009878406_100000731001 [0,0,0,0,0,1|3,0,0]=4 3178 B14R1.4920 Cc1ncnc(c1OCCC(=O)N)C 7a_100009878406_100000744528 [0,0,0,0,0,1|3,0,0]=4 3179 B14R1.4920 Cc1occc(=O)c1OCCC(=O)N 34a_100000031901_100000731001 [0,0,0,0,0,1|3,0,0]=4 3180 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 34a_100000736428_100000731001 [0,0,0,0,0,1|3,0,0]=4 3181 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000744528 [0,0,0,0,0,1|3,0,0]=4 3182 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 34a_100010214474_100000731001 [0,0,0,0,0,1|3,0,0]=4 3183 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000744528 [0,0,0,0,0,1|3,0,0]=4 3184 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 34a_100009813666_100000731001 [0,0,0,0,0,1|3,0,0]=4 3185 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000744528 [0,0,0,0,0,1|3,0,0]=4 3186 B14R1.4920 NC(=O)CCOc1c(cccc1Br)N 34a_100011934915_100000731001 [0,0,0,0,0,1|3,0,0]=4 3187 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000731001 [0,0,0,0,0,1|3,0,0]=4 3188 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000744528 [0,0,0,0,0,1|3,0,0]=4 3189 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 34a_100000694953_100000731001 [0,0,0,0,0,1|3,0,0]=4 3190 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000744528 [0,0,0,0,0,1|3,0,0]=4 3191 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)N 34a_100000754742_100000731001 [0,0,0,0,0,1|3,0,0]=4 3192 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 34a_100000230165_100000731001 [0,0,0,0,0,1|3,0,0]=4 3193 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000744528 [0,0,0,0,0,1|3,0,0]=4 3194 B14R1.4920 NC(=O)CCOc1c(cccc1F)N 34a_100011934987_100000731001 [0,0,0,0,0,1|3,0,0]=4 3195 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 34a_100010084509_100000731001 [0,0,0,0,0,1|3,0,0]=4 3196 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000744528 [0,0,0,0,0,1|3,0,0]=4 3197 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 34a_100010202889_100000731001 [0,0,0,0,0,1|3,0,0]=4 3198 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000744528 [0,0,0,0,0,1|3,0,0]=4 3199 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 34a_100010186298_100000731001 [0,0,0,0,0,1|3,0,0]=4 3200 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000744528 [0,0,0,0,0,1|3,0,0]=4 3201 B14R1.4920 NC(=O)CCOc1c(cccc1I)N 34a_100010084371_100000731001 [0,0,0,0,0,1|3,0,0]=4 3202 B14R1.4920 NC(=O)CCOc1c(cccc1N)N 34a_200016994477_100000731001 [0,0,0,0,0,1|3,0,0]=4 3203 B14R1.4920 NC(=O)COCc1c(cccc1Br)Br 34a_100010172814_100000187820 [0,0,0,0,0,1|3,0,0]=4 3204 B14R1.4920 NC(=O)COCc1c(cccc1Br)Br 7a_100010172814_100000187820 [0,0,0,0,0,1|3,0,0]=4 3205 B14R1.4920 NC(=O)COCc1c(cccc1Br)F 34a_100012355691_100000187820 [0,0,0,0,0,1|3,0,0]=4 3206 B14R1.4920 NC(=O)COCc1c(cccc1Br)F 7a_100012355691_100000187820 [0,0,0,0,0,1|3,0,0]=4 3207 B14R1.4920 NC(=O)COCc1c(cccc1Br)N 34a_100000747656_100000187820 [0,0,0,0,0,1|3,0,0]=4 3208 B14R1.4920 NC(=O)COCc1c(cccc1Cl)Cl 34a_100000215722_100000187820 [0,0,0,0,0,1|3,0,0]=4 3209 B14R1.4920 NC(=O)COCc1c(cccc1Cl)Cl 7a_100000215722_100000187820 [0,0,0,0,0,1|3,0,0]=4 3210 B14R1.4920 NC(=O)COCc1c(cccc1Cl)F 34a_100000215723_100000187820 [0,0,0,0,0,1|3,0,0]=4 3211 B14R1.4920 NC(=O)COCc1c(cccc1Cl)F 7a_100000215723_100000187820 [0,0,0,0,0,1|3,0,0]=4 3212 B14R1.4920 NC(=O)COCc1c(cccc1Cl)N 34a_100011916388_100000187820 [0,0,0,0,0,1|3,0,0]=4 3213 B14R1.4920 NC(=O)COCc1c(cccc1F)F 34a_100000698215_100000187820 [0,0,0,0,0,1|3,0,0]=4 3214 B14R1.4920 NC(=O)COCc1c(cccc1F)F 7a_100000698215_100000187820 [0,0,0,0,0,1|3,0,0]=4 3215 B14R1.4920 NC(=O)COCc1c(cccc1F)N 34a_100011846719_100000187820 [0,0,0,0,0,1|3,0,0]=4 3216 B14R1.4920 NC(=O)COCc1c(cccc1I)F 34a_100010214973_100000187820 [0,0,0,0,0,1|3,0,0]=4 3217 B14R1.4920 NC(=O)COCc1c(cccc1I)F 7a_100010214973_100000187820 [0,0,0,0,0,1|3,0,0]=4 3218 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])Br 34a_100000747656_100020667443 [0,0,0,0,0,1|2,0,1]=4 3219 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])Cl 34a_100011916388_100020667443 [0,0,0,0,0,1|2,0,1]=4 3220 B14R1.4920 Nc1cccc(c1COCC(=O)[O-])F 34a_100011846719_100020667443 [0,0,0,0,0,1|2,0,1]=4 3221 B14R1.4920 O=C(O)CNCc1c(cccc1Br)Cl 269956a_100016091260_100010138402 [0,0,0,0,0,1|3,0,0]=4 3222 B14R1.4920 O=C(O)CNCc1c(cccc1Br)F 269956a_100016091260_100012145669 [0,0,0,0,0,1|3,0,0]=4 3223 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)Cl 269956a_100016091260_100000187851 [0,0,0,0,0,1|3,0,0]=4 3224 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)F 269956a_100016091260_100000187852 [0,0,0,0,0,1|3,0,0]=4 3225 B14R1.4920 O=C(O)CNCc1c(cccc1F)F 269956a_100016091260_100000709179 [0,0,0,0,0,1|3,0,0]=4 3226 B14R1.4920 O=C(O)CNCc1c(cccc1I)Br 269956a_100016091260_100010146611 [0,0,0,0,0,1|3,0,0]=4 3227 B14R1.4920 O=C(O)CNCc1c(cccc1I)F 269956a_100016091260_100010149602 [0,0,0,0,0,1|3,0,0]=4 3228 B14R1.4920 O=C([O-])COCc1c(cccc1Br)Br 34a_100010172814_100020667443 [0,0,0,0,0,1|2,0,1]=4 3229 B14R1.4920 O=C([O-])COCc1c(cccc1Br)F 34a_100012355691_100020667443 [0,0,0,0,0,1|2,0,1]=4 3230 B14R1.4920 O=C([O-])COCc1c(cccc1Cl)Cl 34a_100000215722_100020667443 [0,0,0,0,0,1|2,0,1]=4 3231 B14R1.4920 O=C([O-])COCc1c(cccc1Cl)F 34a_100000215723_100020667443 [0,0,0,0,0,1|2,0,1]=4 3232 B14R1.4920 O=C([O-])COCc1c(cccc1F)F 34a_100000698215_100020667443 [0,0,0,0,0,1|2,0,1]=4 3233 B14R1.4920 O=C([O-])COCc1c(cccc1I)F 34a_100010214973_100020667443 [0,0,0,0,0,1|2,0,1]=4 3234 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [2,0,0,0,0,0|1,0,1]=4 3235 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [2,0,0,0,0,0|1,0,1]=4 3236 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [2,0,0,0,0,0|2,0,0]=4 3237 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [2,0,0,0,0,0|2,0,0]=4 3238 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [2,0,0,0,0,0|2,0,0]=4 3239 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [2,0,0,0,0,0|1,0,0]=3 3240 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [2,0,0,0,0,0|1,0,0]=3 3241 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [2,0,0,0,0,0|2,0,0]=4 3242 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [2,0,0,0,0,0|2,0,0]=4 3243 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [2,0,0,0,0,0|2,0,0]=4 3244 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [2,0,0,0,0,0|2,0,0]=4 3245 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [2,0,0,0,0,0|2,0,0]=4 3246 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [2,0,0,0,0,0|2,0,0]=4 3247 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [2,0,0,0,0,0|2,0,0]=4 3248 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [2,0,0,0,0,0|2,0,0]=4 3249 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [2,0,0,0,0,0|2,0,0]=4 3250 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [2,0,0,0,0,0|2,0,0]=4 3251 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [2,0,0,0,0,0|2,0,0]=4 3252 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [2,0,0,0,0,0|2,0,0]=4 3253 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [2,0,0,0,0,0|2,0,0]=4 3254 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [2,0,0,0,0,0|1,1,0]=4 3255 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [2,0,0,0,0,0|1,1,0]=4 3256 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [2,0,0,0,0,0|1,0,1]=4 3257 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [2,0,0,0,0,0|1,0,1]=4 3258 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [2,0,0,0,0,0|2,0,0]=4 3259 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [2,0,0,0,0,0|1,1,0]=4 3260 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [2,0,0,0,0,0|1,0,0]=3 3261 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [2,0,0,0,0,0|1,0,1]=4 3262 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [2,0,0,0,0,0|1,0,1]=4 3263 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [2,0,0,0,0,0|0,0,0]=2 3264 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [2,0,0,0,0,0|0,0,0]=2 3265 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [2,0,0,0,0,0|1,0,1]=4 3266 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [2,0,0,0,0,0|1,0,1]=4 3267 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [2,0,0,0,0,0|0,0,1]=3 3268 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [2,0,0,0,0,0|0,0,1]=3 3269 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [2,0,0,0,0,0|0,1,0]=3 3270 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [2,0,0,0,0,0|0,1,0]=3 3271 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [2,0,0,0,0,0|0,1,1]=4 3272 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [2,0,0,0,0,0|0,1,1]=4 3273 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [2,0,0,0,0,0|1,1,0]=4 3274 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [2,0,0,0,0,0|1,1,0]=4 3275 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [2,0,0,0,0,0|1,0,0]=3 3276 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [2,0,0,0,0,0|1,0,0]=3 3277 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [2,0,0,0,0,0|1,0,1]=4 3278 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [2,0,0,0,0,0|1,0,1]=4 3279 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [2,0,0,0,0,0|1,1,0]=4 3280 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [2,0,0,0,0,0|1,1,0]=4 3281 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [2,0,0,0,0,0|1,0,0]=3 3282 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [2,0,0,0,0,0|1,0,1]=4 3283 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [2,0,0,0,0,0|1,1,0]=4 3284 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [2,0,0,0,0,0|1,1,0]=4 3285 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [2,0,0,0,0,0|1,0,0]=3 3286 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [2,0,0,0,0,0|1,0,0]=3 3287 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [2,0,0,0,0,0|1,0,1]=4 3288 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [2,0,0,0,0,0|1,0,1]=4 3289 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [2,0,0,0,0,0|1,1,0]=4 3290 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [2,0,0,0,0,0|1,1,0]=4 3291 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [2,0,0,0,0,0|2,0,0]=4 3292 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [2,0,0,0,0,0|1,0,0]=3 3293 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [2,0,0,0,0,0|1,0,0]=3 3294 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [2,0,0,0,0,0|1,0,1]=4 3295 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [2,0,0,0,0,0|1,0,1]=4 3296 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [2,0,0,0,0,0|1,1,0]=4 3297 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [2,0,0,0,0,0|1,1,0]=4 3298 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [2,0,0,0,0,0|2,0,0]=4 3299 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [2,0,0,0,0,0|2,0,0]=4 3300 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [2,0,0,0,0,0|2,0,0]=4 3301 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [2,0,0,0,0,0|2,0,0]=4 3302 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [2,0,0,0,0,0|2,0,0]=4 3303 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [2,0,0,0,0,0|2,0,0]=4 3304 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [2,0,0,0,0,0|2,0,0]=4 3305 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [2,0,0,0,0,0|2,0,0]=4 3306 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [2,0,0,0,0,0|2,0,0]=4 3307 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [2,0,0,0,0,0|2,0,0]=4 3308 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [2,0,0,0,0,0|2,0,0]=4 3309 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [2,0,0,0,0,0|1,0,0]=3 3310 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [2,0,0,0,0,0|1,0,0]=3 3311 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [2,0,0,0,0,0|1,0,0]=3 3312 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [2,0,0,0,0,0|1,0,0]=3 3313 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [2,0,0,0,0,0|1,0,0]=3 3314 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [2,0,0,0,0,0|1,0,0]=3 3315 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [2,0,0,0,0,0|1,0,0]=3 3316 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [2,0,0,0,0,0|1,0,0]=3 3317 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [2,0,0,0,0,0|2,0,0]=4 3318 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [2,0,0,0,0,0|2,0,0]=4 3319 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [2,0,0,0,0,0|2,0,0]=4 3320 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [2,0,0,0,0,0|2,0,0]=4 3321 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [2,0,0,0,0,0|2,0,0]=4 3322 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [2,0,0,0,0,0|2,0,0]=4 3323 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [2,0,0,0,0,0|2,0,0]=4 3324 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [2,0,0,0,0,0|2,0,0]=4 3325 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [2,0,0,0,0,0|2,0,0]=4 3326 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [2,0,0,0,0,0|2,0,0]=4 3327 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [2,0,0,0,0,0|2,0,0]=4 3328 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [2,0,0,0,0,0|2,0,0]=4 3329 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [2,0,0,0,0,0|2,0,0]=4 3330 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [2,0,0,0,0,0|2,0,0]=4 3331 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [2,0,0,0,0,0|2,0,0]=4 3332 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [2,0,0,0,0,0|2,0,0]=4 3333 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [2,0,0,0,0,0|2,0,0]=4 3334 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [2,0,0,0,0,0|2,0,0]=4 3335 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [2,0,0,0,0,0|1,1,0]=4 3336 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [2,0,0,0,0,0|1,1,0]=4 3337 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [2,0,0,0,0,0|1,1,0]=4 3338 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [2,0,0,0,0,0|1,1,0]=4 3339 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [2,0,0,0,0,0|1,1,0]=4 3340 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [2,0,0,0,0,0|1,1,0]=4 3341 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [2,0,0,0,0,0|1,1,0]=4 3342 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [2,0,0,0,0,0|1,1,0]=4 3343 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [2,0,0,0,0,0|1,0,1]=4 3344 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [2,0,0,0,0,0|1,0,1]=4 3345 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [2,0,0,0,0,0|1,0,1]=4 3346 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [2,0,0,0,0,0|1,0,1]=4 3347 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [2,0,0,0,0,0|1,0,1]=4 3348 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [2,0,0,0,0,0|1,0,1]=4 3349 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [2,0,0,0,0,0|1,0,1]=4 3350 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [2,0,0,0,0,0|1,0,1]=4 3351 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [2,0,0,0,0,0|1,0,1]=4 3352 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [2,0,0,0,0,0|2,0,0]=4 3353 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [2,0,0,0,0,0|2,0,0]=4 3354 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [2,0,0,0,0,0|2,0,0]=4 3355 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [2,0,0,0,0,0|2,0,0]=4 3356 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [2,0,0,0,0,0|2,0,0]=4 3357 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [2,0,0,0,0,0|2,0,0]=4 3358 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|1,0,0]=3 3359 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [2,0,0,0,0,0|2,0,0]=4 3360 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [2,0,0,0,0,0|2,0,0]=4 3361 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [2,0,0,0,0,0|1,1,0]=4 3362 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [2,0,0,0,0,0|1,0,1]=4 3363 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [2,0,0,0,0,0|1,0,1]=4 3364 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [2,0,0,0,0,0|1,0,1]=4 3365 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [2,0,0,0,0,0|1,0,1]=4 3366 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [2,0,0,0,0,0|2,0,0]=4 3367 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [2,0,0,0,0,0|1,0,0]=3 3368 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [2,0,0,0,0,0|1,0,0]=3 3369 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [2,0,0,0,0,0|2,0,0]=4 3370 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [2,0,0,0,0,0|2,0,0]=4 3371 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [2,0,0,0,0,0|2,0,0]=4 3372 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [2,0,0,0,0,0|1,1,0]=4 3373 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [2,0,0,0,0,0|1,1,0]=4 3374 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [2,0,0,0,0,0|1,0,1]=4 3375 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [2,0,0,0,0,0|0,0,1]=3 3376 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [2,0,0,0,0,0|1,0,1]=4 3377 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [2,0,0,0,0,0|1,0,1]=4 3378 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [2,0,0,0,0,0|0,1,1]=4 3379 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [2,0,0,0,0,0|0,1,1]=4 3380 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [2,0,0,0,0,0|1,0,1]=4 3381 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [2,0,0,0,0,0|2,0,0]=4 3382 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|1,0,0]=3 3383 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [2,0,0,0,0,0|2,0,0]=4 3384 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [2,0,0,0,0,0|2,0,0]=4 3385 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [2,0,0,0,0,0|1,1,0]=4 3386 B11R1.605 C=C=Cc1c(cccc1C)C 271570a_100015277604_100000033847 [2,0,0,0,0,0|1,0,1]=4 3387 B11R1.605 CC=Cc1c(cccc1C)C 271570a_100016259895_100000033847 [2,0,0,0,0,0|1,0,1]=4 3388 B11R1.605 CCNc1c(cccc1C)C 34a_100000185769_100000210202 [2,0,0,0,0,0|1,0,1]=4 3389 B11R1.605 CCOc1c(cccc1Br)C 34a_100009817157_100000210202 [2,0,0,0,0,0|1,0,1]=4 3390 B11R1.605 CCOc1c(cccc1Br)C 7a_100009817157_100000210202 [2,0,0,0,0,0|1,0,1]=4 3391 B11R1.605 CCOc1c(cccc1C)C 34a_100000210341_100000210202 [2,0,0,0,0,0|0,0,1]=3 3392 B11R1.605 CCOc1c(cccc1C)C 7a_100000210341_100000210202 [2,0,0,0,0,0|0,0,1]=3 3393 B11R1.605 CCOc1c(cccc1Cl)C 34a_100000033731_100000210202 [2,0,0,0,0,0|1,0,1]=4 3394 B11R1.605 CCOc1c(cccc1Cl)C 7a_100000033731_100000210202 [2,0,0,0,0,0|1,0,1]=4 3395 B11R1.605 CCOc1c(cccc1F)C 34a_100011659162_100000210202 [2,0,0,0,0,0|1,0,1]=4 3396 B11R1.605 CCOc1c(cccc1F)C 7a_100011659162_100000210202 [2,0,0,0,0,0|1,0,1]=4 3397 B11R1.605 CCOc1c(cccc1N)C 34a_100000756359_100000210202 [2,0,0,0,0,0|1,0,1]=4 3398 B11R1.605 CCOc1c(cccc1N)C 7a_100000756359_100000210202 [2,0,0,0,0,0|1,0,1]=4 3399 B11R1.605 CCOc1c(ccnc1C)C 34a_100011934651_100000210202 [2,0,0,0,0,0|1,0,1]=4 3400 B11R1.605 CCOc1c(ccnc1C)C 7a_100011934651_100000210202 [2,0,0,0,0,0|1,0,1]=4 3401 B11R1.605 CCSc1c(cccc1C)C 62a_100000033847_100000210202 [2,0,0,0,0,0|0,1,1]=4 3402 B11R1.605 CCSc1c(cccc1C)C 62a_100000210202_100000033847 [2,0,0,0,0,0|0,1,1]=4 3403 B11R1.605 CNCc1c(cccc1C)C 207a_100102657272_100000758299 [2,0,0,0,0,0|2,0,0]=4 3404 B11R1.605 CNCc1c(cccc1C)C 2230a_106832991635_100000758300 [2,0,0,0,0,0|2,0,0]=4 3405 B11R1.605 CNCc1c(cccc1C)C 270004a_106832991635_100000758299 [2,0,0,0,0,0|2,0,0]=4 3406 B11R1.605 CNCc1c(cccc1C)C 34a_100000689800_200000210301 [2,0,0,0,0,0|2,0,0]=4 3407 B11R1.605 CNCc1c(cccc1C)C 34a_100102657272_100000758300 [2,0,0,0,0,0|2,0,0]=4 3408 B11R1.605 CNCc1c(cccc1C)C 7a_106832991635_100000758300 [2,0,0,0,0,0|2,0,0]=4 3409 B11R1.605 COCc1c(cccc1C)C 34a_100011933981_200000210301 [2,0,0,0,0,0|2,0,0]=4 3410 B11R1.605 COCc1c(cccc1C)C 34a_100138415774_100000758300 [2,0,0,0,0,0|2,0,0]=4 3411 B11R1.605 COCc1c(cccc1C)C 7a_100011933981_200000210301 [2,0,0,0,0,0|2,0,0]=4 3412 B11R1.605 CSCc1c(cccc1C)C 62a_100000758300_200000210301 [2,0,0,0,0,0|2,0,0]=4 3413 B11R1.605 CSCc1c(cccc1C)C 62a_200000210301_100000758300 [2,0,0,0,0,0|2,0,0]=4 3414 B11R1.605 Cc1cccc(c1CN[13CH3])C 34a_100000689800_200025704644 [2,0,0,0,0,0|2,0,0]=4 3415 B11R1.605 Cc1cccc(c1CO[13CH3])C 34a_100011933981_200025704644 [2,0,0,0,0,0|2,0,0]=4 3416 B11R1.605 Cc1cccc(c1CO[13CH3])C 7a_100011933981_200025704644 [2,0,0,0,0,0|2,0,0]=4 3417 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_100000758300_200025704644 [2,0,0,0,0,0|2,0,0]=4 3418 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_200025704644_100000758300 [2,0,0,0,0,0|2,0,0]=4 3419 B11R1.605 Cc1cccc(c1NCF)C 34a_100000185769_100015361967 [2,0,0,0,0,0|2,0,0]=4 3420 B11R1.605 Cc1cccc(c1OCF)Br 34a_100009817157_100015361967 [2,0,0,0,0,0|2,0,0]=4 3421 B11R1.605 Cc1cccc(c1OCF)Br 7a_100009817157_100015361967 [2,0,0,0,0,0|2,0,0]=4 3422 B11R1.605 Cc1cccc(c1OCF)C 34a_100000210341_100015361967 [2,0,0,0,0,0|1,0,0]=3 3423 B11R1.605 Cc1cccc(c1OCF)C 7a_100000210341_100015361967 [2,0,0,0,0,0|1,0,0]=3 3424 B11R1.605 Cc1cccc(c1OCF)Cl 34a_100000033731_100015361967 [2,0,0,0,0,0|2,0,0]=4 3425 B11R1.605 Cc1cccc(c1OCF)Cl 7a_100000033731_100015361967 [2,0,0,0,0,0|2,0,0]=4 3426 B11R1.605 Cc1cccc(c1OCF)F 34a_100011659162_100015361967 [2,0,0,0,0,0|2,0,0]=4 3427 B11R1.605 Cc1cccc(c1OCF)F 7a_100011659162_100015361967 [2,0,0,0,0,0|2,0,0]=4 3428 B11R1.605 Cc1cccc(c1OCF)N 34a_100000756359_100015361967 [2,0,0,0,0,0|2,0,0]=4 3429 B11R1.605 Cc1cccc(c1OCF)N 7a_100000756359_100015361967 [2,0,0,0,0,0|2,0,0]=4 3430 B11R1.605 Cc1cccc(c1SCF)C 62a_100000033847_100015361967 [2,0,0,0,0,0|1,1,0]=4 3431 B11R1.605 Cc1cccc(c1SCF)C 62a_100015361967_100000033847 [2,0,0,0,0,0|1,1,0]=4 3432 B11R1.605 Cc1ccnc(c1OCF)C 34a_100011934651_100015361967 [2,0,0,0,0,0|2,0,0]=4 3433 B11R1.605 Cc1ccnc(c1OCF)C 7a_100011934651_100015361967 [2,0,0,0,0,0|2,0,0]=4 3434 B13R1.90 C#Cc1ccccc1OCC(=O)N 34a_200011470546_100000187820 [1,1,0,0,0,0|1,0,1]=4 3435 B13R1.90 C#Cc1ccccc1OCC(=O)N 7a_200011470546_100000187820 [1,1,0,0,0,0|1,0,1]=4 3436 B13R1.90 C#Cc1ccccc1OCC(=O)[O-] 34a_200011470546_100020667443 [1,1,0,0,0,0|0,0,2]=4 3437 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [1,1,0,0,0,0|2,0,0]=4 3438 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [1,1,0,0,0,0|2,0,0]=4 3439 B13R1.90 C=C(C)COc1ccccc1CN 34a_100000185550_100000748629 [1,1,0,0,0,0|2,0,0]=4 3440 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [1,1,0,0,0,0|2,0,0]=4 3441 B13R1.90 C=C(C)COc1ccccc1NC 2230a_100000243823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3442 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000033821_100000748629 [1,1,0,0,0,0|2,0,0]=4 3443 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000243823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3444 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 2230a_100000243823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3445 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 34a_100000243823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3446 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [1,1,0,0,0,0|2,0,0]=4 3447 B13R1.90 C=C(C)COc1ccccc1SC 34a_100011216402_100000748629 [1,1,0,0,0,0|2,0,0]=4 3448 B13R1.90 C=C(F)COc1ccccc1CC 34a_100000210936_100009893438 [1,1,0,0,0,0|2,0,0]=4 3449 B13R1.90 C=C(F)COc1ccccc1CC 7a_100000210936_100000042424 [1,1,0,0,0,0|2,0,0]=4 3450 B13R1.90 C=C(F)COc1ccccc1CN 34a_100000185550_100009893438 [1,1,0,0,0,0|2,0,0]=4 3451 B13R1.90 C=C(F)COc1ccccc1CO 34a_100011216872_100009893438 [1,1,0,0,0,0|2,0,0]=4 3452 B13R1.90 C=C(F)COc1ccccc1NC 34a_100000033821_100009893438 [1,1,0,0,0,0|2,0,0]=4 3453 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [1,1,0,0,0,0|2,0,0]=4 3454 B13R1.90 C=C(F)COc1ccccc1SC 34a_100011216402_100009893438 [1,1,0,0,0,0|2,0,0]=4 3455 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [1,1,0,0,0,0|1,0,1]=4 3456 B13R1.90 CC(=O)COc1ccccc1C#N 1458a_100000182527_200000210301 [1,1,0,0,0,0|1,0,1]=4 3457 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [1,1,0,0,0,0|1,0,0]=3 3458 B13R1.90 CC(O)COc1ccccc1CN 34a_100000185550_100011218427 [1,1,0,0,0,0|1,0,1]=4 3459 B13R1.90 CC(O)COc1ccccc1CO 34a_100011216872_100011218427 [1,1,0,0,0,0|1,0,1]=4 3460 B13R1.90 CCc1ccccc1NCC(=O)N 2230a_100000212081_100000747473 [1,1,0,0,0,0|2,0,0]=4 3461 B13R1.90 CCc1ccccc1NCC(=O)N 34a_100000212081_100000187820 [1,1,0,0,0,0|2,0,0]=4 3462 B13R1.90 CCc1ccccc1NCC(=O)N 7a_100000212081_100000187820 [1,1,0,0,0,0|2,0,0]=4 3463 B13R1.90 CCc1ccccc1NCC(=O)[O-] 34a_100000212081_100020667443 [1,1,0,0,0,0|1,0,1]=4 3464 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [1,1,0,0,0,0|1,0,0]=3 3465 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [1,1,0,0,0,0|1,0,0]=3 3466 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [1,1,0,0,0,0|1,0,0]=3 3467 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [1,1,0,0,0,0|1,0,0]=3 3468 B13R1.90 CCc1ccccc1OCC(=O)[O-] 34a_100000210936_100020667443 [1,1,0,0,0,0|0,0,1]=3 3469 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [1,1,0,0,0,0|1,0,1]=4 3470 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [1,1,0,0,0,0|1,0,1]=4 3471 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [1,1,0,0,0,0|1,0,1]=4 3472 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [1,1,0,0,0,0|1,0,1]=4 3473 B13R1.90 CCc1ccccc1OC[N+](=O)[O-] 34a_100000210936_100000761209 [1,1,0,0,0,0|1,0,1]=4 3474 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100000747473_100011215823 [1,1,0,0,0,0|1,1,0]=4 3475 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100011215823_100000747473 [1,1,0,0,0,0|1,1,0]=4 3476 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100011215823_100020667443 [1,1,0,0,0,0|0,1,1]=4 3477 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100020667443_100011215823 [1,1,0,0,0,0|0,1,1]=4 3478 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [1,1,0,0,0,0|1,0,0]=3 3479 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [1,1,0,0,0,0|0,0,1]=3 3480 B13R1.90 CNc1ccccc1OCC(C)O 34a_100000033821_100011218427 [1,1,0,0,0,0|1,0,1]=4 3481 B13R1.90 CNc1ccccc1OC[C@@H](C)O 34a_100000033821_100009817552 [1,1,0,0,0,0|1,0,1]=4 3482 B13R1.90 CNc1ccccc1OC[N+](=O)[O-] 34a_100000033821_100000761209 [1,1,0,0,0,0|1,0,1]=4 3483 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [1,1,0,0,0,0|1,1,0]=4 3484 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [1,1,0,0,0,0|1,1,0]=4 3485 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [1,1,0,0,0,0|1,1,0]=4 3486 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020606079_100020667443 [1,1,0,0,0,0|0,1,1]=4 3487 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020667443_100020606079 [1,1,0,0,0,0|0,1,1]=4 3488 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [1,1,0,0,0,0|2,0,0]=4 3489 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [1,1,0,0,0,0|2,0,0]=4 3490 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [1,1,0,0,0,0|2,0,0]=4 3491 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [1,1,0,0,0,0|2,0,0]=4 3492 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [1,1,0,0,0,0|2,0,0]=4 3493 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [1,1,0,0,0,0|2,0,0]=4 3494 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [1,1,0,0,0,0|1,0,1]=4 3495 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [1,1,0,0,0,0|1,0,0]=3 3496 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [1,1,0,0,0,0|1,0,0]=3 3497 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [1,1,0,0,0,0|1,0,0]=3 3498 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [1,1,0,0,0,0|1,0,0]=3 3499 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [1,1,0,0,0,0|0,0,1]=3 3500 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [1,1,0,0,0,0|1,0,1]=4 3501 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [1,1,0,0,0,0|1,0,1]=4 3502 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [1,1,0,0,0,0|1,0,1]=4 3503 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [1,1,0,0,0,0|1,1,0]=4 3504 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [1,1,0,0,0,0|1,1,0]=4 3505 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [1,1,0,0,0,0|0,1,1]=4 3506 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [1,1,0,0,0,0|0,1,1]=4 3507 B13R1.90 COc1cccnc1OCC(=O)N 34a_100025773188_100000187820 [1,1,0,0,0,0|2,0,0]=4 3508 B13R1.90 COc1cccnc1OCC(=O)[O-] 34a_100025773188_100020667443 [1,1,0,0,0,0|1,0,1]=4 3509 B13R1.90 COc1ccncc1OCC(=O)N 34a_100000101186_100000187820 [1,1,0,0,0,0|2,0,0]=4 3510 B13R1.90 COc1ccncc1OCC(=O)[O-] 34a_100000101186_100020667443 [1,1,0,0,0,0|1,0,1]=4 3511 B13R1.90 COc1ncccc1OCC(=O)N 34a_100000698397_100000187820 [1,1,0,0,0,0|2,0,0]=4 3512 B13R1.90 COc1ncccc1OCC(=O)N 7a_100000698397_100000187820 [1,1,0,0,0,0|2,0,0]=4 3513 B13R1.90 COc1ncccc1OCC(=O)[O-] 34a_100000698397_100020667443 [1,1,0,0,0,0|1,0,1]=4 3514 B13R1.90 CSc1ccccc1CCC(=O)N 62a_100009814947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3515 B13R1.90 CSc1ccccc1CCC(=O)N 62a_200000210301_100009814947 [1,1,0,0,0,0|2,0,0]=4 3516 B13R1.90 CSc1ccccc1NCC(=O)N 34a_100000211160_100000187820 [1,1,0,0,0,0|2,0,0]=4 3517 B13R1.90 CSc1ccccc1NCC(=O)[O-] 34a_100000211160_100020667443 [1,1,0,0,0,0|1,0,1]=4 3518 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [1,1,0,0,0,0|1,0,0]=3 3519 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [1,1,0,0,0,0|1,0,0]=3 3520 B13R1.90 CSc1ccccc1OCC(=O)[O-] 34a_100011216402_100020667443 [1,1,0,0,0,0|0,0,1]=3 3521 B13R1.90 CSc1ccccc1OCC(C)O 34a_100011216402_100011218427 [1,1,0,0,0,0|1,0,1]=4 3522 B13R1.90 CSc1ccccc1OC[C@@H](C)O 34a_100011216402_100009817552 [1,1,0,0,0,0|1,0,1]=4 3523 B13R1.90 CSc1ccccc1OC[N+](=O)[O-] 34a_100011216402_100000761209 [1,1,0,0,0,0|1,0,1]=4 3524 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100000747473_100011217816 [1,1,0,0,0,0|1,1,0]=4 3525 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100011217816_100000747473 [1,1,0,0,0,0|1,1,0]=4 3526 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100011217816_100020667443 [1,1,0,0,0,0|0,1,1]=4 3527 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100020667443_100011217816 [1,1,0,0,0,0|0,1,1]=4 3528 B13R1.90 C[C@@H](O)COc1ccccc1CN 34a_100000185550_100009817552 [1,1,0,0,0,0|1,0,1]=4 3529 B13R1.90 C[C@@H](O)COc1ccccc1CO 34a_100011216872_100009817552 [1,1,0,0,0,0|1,0,1]=4 3530 B13R1.90 N#Cc1ccccc1OCC(=O)N 34a_100000211048_100000187820 [1,1,0,0,0,0|1,0,1]=4 3531 B13R1.90 N#Cc1ccccc1OCC(=O)N 7a_100000211048_100000187820 [1,1,0,0,0,0|1,0,1]=4 3532 B13R1.90 N#Cc1ccccc1OCC(=O)[O-] 34a_100000211048_100020667443 [1,1,0,0,0,0|0,0,2]=4 3533 B13R1.90 NC(=O)CNc1ccccc1CO 34a_100000212039_100000187820 [1,1,0,0,0,0|2,0,0]=4 3534 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [1,1,0,0,0,0|1,0,0]=3 3535 B13R1.90 NC(=O)COc1cccnc1CBr 34a_200020655725_100000187820 [1,1,0,0,0,0|2,0,0]=4 3536 B13R1.90 NC(=O)COc1cccnc1CBr 7a_200020655725_100000187820 [1,1,0,0,0,0|2,0,0]=4 3537 B13R1.90 NC(=O)COc1cccnc1CO 34a_100000731849_100000187820 [1,1,0,0,0,0|2,0,0]=4 3538 B13R1.90 NC(=O)COc1cnccc1CO 34a_100000078615_100000187820 [1,1,0,0,0,0|2,0,0]=4 3539 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000187465_100000747473 [1,1,0,0,0,0|1,1,0]=4 3540 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000747473_100000187465 [1,1,0,0,0,0|1,1,0]=4 3541 B13R1.90 NCc1ccccc1OCC(=O)N 34a_100000185550_100000187820 [1,1,0,0,0,0|1,0,0]=3 3542 B13R1.90 NCc1ccccc1OCC(=O)[O-] 34a_100000185550_100020667443 [1,1,0,0,0,0|0,0,1]=3 3543 B13R1.90 NCc1ccccc1OC[N+](=O)[O-] 34a_100000185550_100000761209 [1,1,0,0,0,0|1,0,1]=4 3544 B13R1.90 NCc1ccccc1SCC(=O)N 62a_100000689332_100000747473 [1,1,0,0,0,0|1,1,0]=4 3545 B13R1.90 NCc1ccccc1SCC(=O)N 62a_100000747473_100000689332 [1,1,0,0,0,0|1,1,0]=4 3546 B13R1.90 NCc1ccccc1SCC(=O)[O-] 62a_100000689332_100020667443 [1,1,0,0,0,0|0,1,1]=4 3547 B13R1.90 NCc1ccccc1SCC(=O)[O-] 62a_100020667443_100000689332 [1,1,0,0,0,0|0,1,1]=4 3548 B13R1.90 O=C([O-])CNc1ccccc1CO 34a_100000212039_100020667443 [1,1,0,0,0,0|1,0,1]=4 3549 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [1,1,0,0,0,0|0,0,1]=3 3550 B13R1.90 O=C([O-])COc1cccnc1CBr 34a_200020655725_100020667443 [1,1,0,0,0,0|1,0,1]=4 3551 B13R1.90 O=C([O-])COc1cccnc1CO 34a_100000731849_100020667443 [1,1,0,0,0,0|1,0,1]=4 3552 B13R1.90 O=C([O-])COc1cnccc1CO 34a_100000078615_100020667443 [1,1,0,0,0,0|1,0,1]=4 3553 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100000187465_100020667443 [1,1,0,0,0,0|0,1,1]=4 3554 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100020667443_100000187465 [1,1,0,0,0,0|0,1,1]=4 3555 B13R1.90 O=[N+]([O-])COc1ccccc1CO 34a_100011216872_100000761209 [1,1,0,0,0,0|1,0,1]=4 3556 B13R1.90 [13CH3]C(=O)COc1ccccc1C#N 1458a_100000182527_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [1,1,0,0,0,0|1,0,0]=3 3558 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [1,1,0,0,0,0|1,1,0]=4 3559 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [1,1,0,0,0,0|2,0,0]=4 3560 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [1,1,0,0,0,0|2,0,0]=4 3561 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [1,1,0,0,0,0|1,0,0]=3 3562 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_100009814947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3563 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_200025704644_100009814947 [1,1,0,0,0,0|2,0,0]=4 3564 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [1,1,0,0,0,0|1,0,0]=3 3565 B13R1.150 C=C(C)COc1cccc(c1C)Br 34a_100012002258_100000748629 [1,1,0,0,0,0|2,0,0]=4 3566 B13R1.150 C=C(C)COc1cccc(c1C)Br 7a_100012002258_100000748629 [1,1,0,0,0,0|2,0,0]=4 3567 B13R1.150 C=C(C)COc1cccc(c1C)C 34a_100000185855_100000748629 [1,1,0,0,0,0|2,0,0]=4 3568 B13R1.150 C=C(C)COc1cccc(c1C)C 7a_100000185855_100000748629 [1,1,0,0,0,0|2,0,0]=4 3569 B13R1.150 C=C(C)COc1cccc(c1C)Cl 34a_100011265684_100000748629 [1,1,0,0,0,0|2,0,0]=4 3570 B13R1.150 C=C(C)COc1cccc(c1C)Cl 7a_100011265684_100000748629 [1,1,0,0,0,0|2,0,0]=4 3571 B13R1.150 C=C(C)COc1cccc(c1C)F 34a_100011217231_100000748629 [1,1,0,0,0,0|2,0,0]=4 3572 B13R1.150 C=C(C)COc1cccc(c1C)F 7a_100011217231_100000748629 [1,1,0,0,0,0|2,0,0]=4 3573 B13R1.150 C=C(C)COc1cccc(c1C)N 34a_100011216573_100000748629 [1,1,0,0,0,0|2,0,0]=4 3574 B13R1.150 C=C(C)COc1cccc(c1C)N 7a_100011216573_100000748629 [1,1,0,0,0,0|2,0,0]=4 3575 B13R1.150 C=C(F)COc1cccc(c1C)Br 34a_100012002258_100009893438 [1,1,0,0,0,0|2,0,0]=4 3576 B13R1.150 C=C(F)COc1cccc(c1C)Br 7a_100012002258_100000042424 [1,1,0,0,0,0|2,0,0]=4 3577 B13R1.150 C=C(F)COc1cccc(c1C)C 34a_100000185855_100009893438 [1,1,0,0,0,0|2,0,0]=4 3578 B13R1.150 C=C(F)COc1cccc(c1C)C 7a_100000185855_100000042424 [1,1,0,0,0,0|2,0,0]=4 3579 B13R1.150 C=C(F)COc1cccc(c1C)Cl 34a_100011265684_100009893438 [1,1,0,0,0,0|2,0,0]=4 3580 B13R1.150 C=C(F)COc1cccc(c1C)Cl 7a_100011265684_100000042424 [1,1,0,0,0,0|2,0,0]=4 3581 B13R1.150 C=C(F)COc1cccc(c1C)F 34a_100011217231_100009893438 [1,1,0,0,0,0|2,0,0]=4 3582 B13R1.150 C=C(F)COc1cccc(c1C)F 7a_100011217231_100000042424 [1,1,0,0,0,0|2,0,0]=4 3583 B13R1.150 C=C(F)COc1cccc(c1C)N 34a_100011216573_100009893438 [1,1,0,0,0,0|2,0,0]=4 3584 B13R1.150 C=C(F)COc1cccc(c1C)N 7a_100011216573_100000042424 [1,1,0,0,0,0|2,0,0]=4 3585 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3586 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3587 B13R1.150 CC(=O)COc1cccc(c1C)C 1458a_200000183798_200000210301 [1,1,0,0,0,0|1,0,0]=3 3588 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [1,1,0,0,0,0|2,0,0]=4 3589 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3590 B13R1.150 Cc1c(cccc1NCC(=O)N)Br 34a_100000750434_100000187820 [1,1,0,0,0,0|2,0,0]=4 3591 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 2230a_100000210441_100000747473 [1,1,0,0,0,0|2,0,0]=4 3592 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 34a_100000210441_100000187820 [1,1,0,0,0,0|2,0,0]=4 3593 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 7a_100000210441_100000187820 [1,1,0,0,0,0|2,0,0]=4 3594 B13R1.150 Cc1c(cccc1NCC(=O)N)F 34a_100000745574_100000187820 [1,1,0,0,0,0|2,0,0]=4 3595 B13R1.150 Cc1c(cccc1NCC(=O)N)F 7a_100000745574_100000187820 [1,1,0,0,0,0|2,0,0]=4 3596 B13R1.150 Cc1c(cccc1NCC(=O)N)I 34a_100000761887_100000187820 [1,1,0,0,0,0|2,0,0]=4 3597 B13R1.150 Cc1c(cccc1NCC(=O)N)O 34a_100011216573_100000187820 [1,1,0,0,0,0|2,0,0]=4 3598 B13R1.150 Cc1c(cccc1NCC(=O)N)O 7a_100011216573_100000187820 [1,1,0,0,0,0|2,0,0]=4 3599 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Br 34a_100000750434_100020667443 [1,1,0,0,0,0|1,0,1]=4 3600 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Cl 34a_100000210441_100020667443 [1,1,0,0,0,0|1,0,1]=4 3601 B13R1.150 Cc1c(cccc1NCC(=O)[O-])F 34a_100000745574_100020667443 [1,1,0,0,0,0|1,0,1]=4 3602 B13R1.150 Cc1c(cccc1NCC(=O)[O-])I 34a_100000761887_100020667443 [1,1,0,0,0,0|1,0,1]=4 3603 B13R1.150 Cc1c(cccc1NCC(=O)[O-])O 34a_100011216573_100020667443 [1,1,0,0,0,0|1,0,1]=4 3604 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 34a_100012002258_100000187820 [1,1,0,0,0,0|1,0,0]=3 3605 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 7a_100012002258_100000187820 [1,1,0,0,0,0|1,0,0]=3 3606 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 34a_100011265684_100000187820 [1,1,0,0,0,0|1,0,0]=3 3607 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 7a_100011265684_100000187820 [1,1,0,0,0,0|1,0,0]=3 3608 B13R1.150 Cc1c(cccc1OCC(=O)N)F 34a_100011217231_100000187820 [1,1,0,0,0,0|1,0,0]=3 3609 B13R1.150 Cc1c(cccc1OCC(=O)N)F 7a_100011217231_100000187820 [1,1,0,0,0,0|1,0,0]=3 3610 B13R1.150 Cc1c(cccc1OCC(=O)N)N 34a_100011216573_100000187820 [1,1,0,0,0,0|1,0,0]=3 3611 B13R1.150 Cc1c(cccc1OCC(=O)N)N 7a_100011216573_100000187820 [1,1,0,0,0,0|1,0,0]=3 3612 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Br 34a_100012002258_100020667443 [1,1,0,0,0,0|0,0,1]=3 3613 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Cl 34a_100011265684_100020667443 [1,1,0,0,0,0|0,0,1]=3 3614 B13R1.150 Cc1c(cccc1OCC(=O)[O-])F 34a_100011217231_100020667443 [1,1,0,0,0,0|0,0,1]=3 3615 B13R1.150 Cc1c(cccc1OCC(=O)[O-])N 34a_100011216573_100020667443 [1,1,0,0,0,0|0,0,1]=3 3616 B13R1.150 Cc1c(cccc1OCC(C)O)Br 34a_100012002258_100011218427 [1,1,0,0,0,0|1,0,1]=4 3617 B13R1.150 Cc1c(cccc1OCC(C)O)Br 7a_100012002258_100011218427 [1,1,0,0,0,0|1,0,1]=4 3618 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 34a_100011265684_100011218427 [1,1,0,0,0,0|1,0,1]=4 3619 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 7a_100011265684_100011218427 [1,1,0,0,0,0|1,0,1]=4 3620 B13R1.150 Cc1c(cccc1OCC(C)O)F 34a_100011217231_100011218427 [1,1,0,0,0,0|1,0,1]=4 3621 B13R1.150 Cc1c(cccc1OCC(C)O)F 7a_100011217231_100011218427 [1,1,0,0,0,0|1,0,1]=4 3622 B13R1.150 Cc1c(cccc1OCC(C)O)N 34a_100011216573_100011218427 [1,1,0,0,0,0|1,0,1]=4 3623 B13R1.150 Cc1c(cccc1OCC(C)O)N 7a_100011216573_100011218427 [1,1,0,0,0,0|1,0,1]=4 3624 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 34a_100012002258_100009817552 [1,1,0,0,0,0|1,0,1]=4 3625 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 7a_100012002258_100009817552 [1,1,0,0,0,0|1,0,1]=4 3626 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 34a_100011265684_100009817552 [1,1,0,0,0,0|1,0,1]=4 3627 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 7a_100011265684_100009817552 [1,1,0,0,0,0|1,0,1]=4 3628 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 34a_100011217231_100009817552 [1,1,0,0,0,0|1,0,1]=4 3629 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 7a_100011217231_100009817552 [1,1,0,0,0,0|1,0,1]=4 3630 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 34a_100011216573_100009817552 [1,1,0,0,0,0|1,0,1]=4 3631 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 7a_100011216573_100009817552 [1,1,0,0,0,0|1,0,1]=4 3632 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Br 34a_100012002258_100000761209 [1,1,0,0,0,0|1,0,1]=4 3633 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Cl 34a_100011265684_100000761209 [1,1,0,0,0,0|1,0,1]=4 3634 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])F 34a_100011217231_100000761209 [1,1,0,0,0,0|1,0,1]=4 3635 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])N 34a_100011216573_100000761209 [1,1,0,0,0,0|1,0,1]=4 3636 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100000747473_100012353703 [1,1,0,0,0,0|1,1,0]=4 3637 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100012353703_100000747473 [1,1,0,0,0,0|1,1,0]=4 3638 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000726075_100000747473 [1,1,0,0,0,0|1,1,0]=4 3639 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000747473_100000726075 [1,1,0,0,0,0|1,1,0]=4 3640 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100000747473_100011216893 [1,1,0,0,0,0|1,1,0]=4 3641 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100011216893_100000747473 [1,1,0,0,0,0|1,1,0]=4 3642 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000747473_100000761887 [1,1,0,0,0,0|1,1,0]=4 3643 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000761887_100000747473 [1,1,0,0,0,0|1,1,0]=4 3644 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100000747473_100012002258 [1,1,0,0,0,0|1,1,0]=4 3645 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100012002258_100000747473 [1,1,0,0,0,0|1,1,0]=4 3646 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Br 62a_100012353703_100020667443 [1,1,0,0,0,0|0,1,1]=4 3647 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Br 62a_100020667443_100012353703 [1,1,0,0,0,0|0,1,1]=4 3648 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Cl 62a_100000726075_100020667443 [1,1,0,0,0,0|0,1,1]=4 3649 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Cl 62a_100020667443_100000726075 [1,1,0,0,0,0|0,1,1]=4 3650 B13R1.150 Cc1c(cccc1SCC(=O)[O-])F 62a_100011216893_100020667443 [1,1,0,0,0,0|0,1,1]=4 3651 B13R1.150 Cc1c(cccc1SCC(=O)[O-])F 62a_100020667443_100011216893 [1,1,0,0,0,0|0,1,1]=4 3652 B13R1.150 Cc1c(cccc1SCC(=O)[O-])N 62a_100000761887_100020667443 [1,1,0,0,0,0|0,1,1]=4 3653 B13R1.150 Cc1c(cccc1SCC(=O)[O-])N 62a_100020667443_100000761887 [1,1,0,0,0,0|0,1,1]=4 3654 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100012002258_100020667443 [1,1,0,0,0,0|0,1,1]=4 3655 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100012002258 [1,1,0,0,0,0|0,1,1]=4 3656 B13R1.150 Cc1c(ccnc1OCC(=O)N)Br 34a_100009858498_100000187820 [1,1,0,0,0,0|2,0,0]=4 3657 B13R1.150 Cc1c(ccnc1OCC(=O)[O-])Br 34a_100009858498_100020667443 [1,1,0,0,0,0|1,0,1]=4 3658 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 34a_100000686692_100000187820 [1,1,0,0,0,0|2,0,0]=4 3659 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 7a_100000686692_100000187820 [1,1,0,0,0,0|2,0,0]=4 3660 B13R1.150 Cc1cccc(c1Br)OCC(=O)[O-] 34a_100000686692_100020667443 [1,1,0,0,0,0|1,0,1]=4 3661 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3662 B13R1.150 Cc1cccc(c1C)NCC(=O)N 2230a_100000210026_100000747473 [1,1,0,0,0,0|2,0,0]=4 3663 B13R1.150 Cc1cccc(c1C)NCC(=O)N 34a_100000210026_100000187820 [1,1,0,0,0,0|2,0,0]=4 3664 B13R1.150 Cc1cccc(c1C)NCC(=O)N 7a_100000210026_100000187820 [1,1,0,0,0,0|2,0,0]=4 3665 B13R1.150 Cc1cccc(c1C)NCC(=O)[O-] 34a_100000210026_100020667443 [1,1,0,0,0,0|1,0,1]=4 3666 B13R1.150 Cc1cccc(c1C)OCC(=O)N 34a_100000185855_100000187820 [1,1,0,0,0,0|1,0,0]=3 3667 B13R1.150 Cc1cccc(c1C)OCC(=O)N 7a_100000185855_100000187820 [1,1,0,0,0,0|1,0,0]=3 3668 B13R1.150 Cc1cccc(c1C)OCC(=O)[13CH3] 1458a_200000183798_200025704644 [1,1,0,0,0,0|1,0,0]=3 3669 B13R1.150 Cc1cccc(c1C)OCC(=O)[O-] 34a_100000185855_100020667443 [1,1,0,0,0,0|0,0,1]=3 3670 B13R1.150 Cc1cccc(c1C)OCC(C)O 34a_100000185855_100011218427 [1,1,0,0,0,0|1,0,1]=4 3671 B13R1.150 Cc1cccc(c1C)OCC(C)O 7a_100000185855_100011218427 [1,1,0,0,0,0|1,0,1]=4 3672 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 34a_100000185855_100009817552 [1,1,0,0,0,0|1,0,1]=4 3673 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 7a_100000185855_100009817552 [1,1,0,0,0,0|1,0,1]=4 3674 B13R1.150 Cc1cccc(c1C)OC[N+](=O)[O-] 34a_100000185855_100000761209 [1,1,0,0,0,0|1,0,1]=4 3675 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100000747473_100011214922 [1,1,0,0,0,0|1,1,0]=4 3676 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100011214922_100000747473 [1,1,0,0,0,0|1,1,0]=4 3677 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100011214922_100020667443 [1,1,0,0,0,0|0,1,1]=4 3678 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100020667443_100011214922 [1,1,0,0,0,0|0,1,1]=4 3679 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 34a_100000695629_100000187820 [1,1,0,0,0,0|2,0,0]=4 3680 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 7a_100000695629_100000187820 [1,1,0,0,0,0|2,0,0]=4 3681 B13R1.150 Cc1cccc(c1Cl)OCC(=O)[O-] 34a_100000695629_100020667443 [1,1,0,0,0,0|1,0,1]=4 3682 B13R1.150 Cc1cccc(c1F)OCC(=O)N 34a_100000751311_100000187820 [1,1,0,0,0,0|2,0,0]=4 3683 B13R1.150 Cc1cccc(c1F)OCC(=O)N 7a_100000751311_100000187820 [1,1,0,0,0,0|2,0,0]=4 3684 B13R1.150 Cc1cccc(c1F)OCC(=O)[O-] 34a_100000751311_100020667443 [1,1,0,0,0,0|1,0,1]=4 3685 B13R1.150 Cc1cccc(c1I)OCC(=O)N 34a_100010083724_100000187820 [1,1,0,0,0,0|2,0,0]=4 3686 B13R1.150 Cc1cccc(c1I)OCC(=O)N 7a_100010083724_100000187820 [1,1,0,0,0,0|2,0,0]=4 3687 B13R1.150 Cc1cccc(c1I)OCC(=O)[O-] 34a_100010083724_100020667443 [1,1,0,0,0,0|1,0,1]=4 3688 B13R1.150 Cc1cccc(c1N)OCC(=O)N 34a_100000743429_100000187820 [1,1,0,0,0,0|2,0,0]=4 3689 B13R1.150 Cc1cccc(c1N)OCC(=O)N 7a_100000743429_100000187820 [1,1,0,0,0,0|2,0,0]=4 3690 B13R1.150 Cc1cccc(c1N)OCC(=O)[O-] 34a_100000743429_100020667443 [1,1,0,0,0,0|1,0,1]=4 3691 B13R1.150 NC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000187820 [1,1,0,0,0,0|2,0,0]=4 3692 B13R1.150 NC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000187820 [1,1,0,0,0,0|2,0,0]=4 3693 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000187820 [1,1,0,0,0,0|2,0,0]=4 3694 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000187820 [1,1,0,0,0,0|2,0,0]=4 3695 B13R1.150 NC(=O)COc1cccc(c1Br)F 34a_100009820682_100000187820 [1,1,0,0,0,0|2,0,0]=4 3696 B13R1.150 NC(=O)COc1cccc(c1Br)F 7a_100009820682_100000187820 [1,1,0,0,0,0|2,0,0]=4 3697 B13R1.150 NC(=O)COc1cccc(c1Br)I 34a_100010187914_100000187820 [1,1,0,0,0,0|2,0,0]=4 3698 B13R1.150 NC(=O)COc1cccc(c1Br)I 7a_100010187914_100000187820 [1,1,0,0,0,0|2,0,0]=4 3699 B13R1.150 NC(=O)COc1cccc(c1Br)N 34a_100012183704_100000187820 [1,1,0,0,0,0|2,0,0]=4 3700 B13R1.150 NC(=O)COc1cccc(c1Br)N 7a_100012183704_100000187820 [1,1,0,0,0,0|2,0,0]=4 3701 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000187820 [1,1,0,0,0,0|2,0,0]=4 3702 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000187820 [1,1,0,0,0,0|2,0,0]=4 3703 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000187820 [1,1,0,0,0,0|2,0,0]=4 3704 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000187820 [1,1,0,0,0,0|2,0,0]=4 3705 B13R1.150 NC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000187820 [1,1,0,0,0,0|2,0,0]=4 3706 B13R1.150 NC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000187820 [1,1,0,0,0,0|2,0,0]=4 3707 B13R1.150 NC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000187820 [1,1,0,0,0,0|2,0,0]=4 3708 B13R1.150 NC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000187820 [1,1,0,0,0,0|2,0,0]=4 3709 B13R1.150 NC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000187820 [1,1,0,0,0,0|2,0,0]=4 3710 B13R1.150 NC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000187820 [1,1,0,0,0,0|2,0,0]=4 3711 B13R1.150 NC(=O)COc1cccc(c1F)Br 34a_100009817021_100000187820 [1,1,0,0,0,0|2,0,0]=4 3712 B13R1.150 NC(=O)COc1cccc(c1F)Br 7a_100009817021_100000187820 [1,1,0,0,0,0|2,0,0]=4 3713 B13R1.150 NC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000187820 [1,1,0,0,0,0|2,0,0]=4 3714 B13R1.150 NC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000187820 [1,1,0,0,0,0|2,0,0]=4 3715 B13R1.150 NC(=O)COc1cccc(c1F)F 34a_100000751161_100000187820 [1,1,0,0,0,0|2,0,0]=4 3716 B13R1.150 NC(=O)COc1cccc(c1F)F 7a_100000751161_100000187820 [1,1,0,0,0,0|2,0,0]=4 3717 B13R1.150 NC(=O)COc1cccc(c1I)Br 34a_100010187912_100000187820 [1,1,0,0,0,0|2,0,0]=4 3718 B13R1.150 NC(=O)COc1cccc(c1I)Br 7a_100010187912_100000187820 [1,1,0,0,0,0|2,0,0]=4 3719 B13R1.150 NC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000187820 [1,1,0,0,0,0|2,0,0]=4 3720 B13R1.150 NC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000187820 [1,1,0,0,0,0|2,0,0]=4 3721 B13R1.150 NC(=O)COc1cccc(c1I)F 34a_100000690913_100000187820 [1,1,0,0,0,0|2,0,0]=4 3722 B13R1.150 NC(=O)COc1cccc(c1I)F 7a_100000690913_100000187820 [1,1,0,0,0,0|2,0,0]=4 3723 B13R1.150 NC(=O)COc1cccc(c1N)Br 34a_100011934926_100000187820 [1,1,0,0,0,0|2,0,0]=4 3724 B13R1.150 NC(=O)COc1cccc(c1N)Br 7a_100011934926_100000187820 [1,1,0,0,0,0|2,0,0]=4 3725 B13R1.150 NC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000187820 [1,1,0,0,0,0|2,0,0]=4 3726 B13R1.150 NC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000187820 [1,1,0,0,0,0|2,0,0]=4 3727 B13R1.150 NC(=O)COc1cccc(c1N)F 34a_100020591140_100000187820 [1,1,0,0,0,0|2,0,0]=4 3728 B13R1.150 NC(=O)COc1cccc(c1N)F 7a_100020591140_100000187820 [1,1,0,0,0,0|2,0,0]=4 3729 B13R1.150 NC(=O)COc1cccc(c1N)I 34a_200000049512_100000187820 [1,1,0,0,0,0|2,0,0]=4 3730 B13R1.150 NC(=O)COc1cccc(c1N)I 7a_200000049512_100000187820 [1,1,0,0,0,0|2,0,0]=4 3731 B13R1.150 NC(=O)COc1cccc(c1N)N 34a_100000033209_100000187820 [1,1,0,0,0,0|2,0,0]=4 3732 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Br 34a_100011934926_100020667443 [1,1,0,0,0,0|1,0,1]=4 3733 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Cl 34a_100012022510_100020667443 [1,1,0,0,0,0|1,0,1]=4 3734 B13R1.150 Nc1c(cccc1OCC(=O)[O-])F 34a_100020591140_100020667443 [1,1,0,0,0,0|1,0,1]=4 3735 B13R1.150 Nc1c(cccc1OCC(=O)[O-])I 34a_200000049512_100020667443 [1,1,0,0,0,0|1,0,1]=4 3736 B13R1.150 Nc1cccc(c1Br)OCC(=O)[O-] 34a_100012183704_100020667443 [1,1,0,0,0,0|1,0,1]=4 3737 B13R1.150 Nc1cccc(c1Cl)OCC(=O)[O-] 34a_100012002038_100020667443 [1,1,0,0,0,0|1,0,1]=4 3738 B13R1.150 Nc1cccc(c1N)OCC(=O)[O-] 34a_100000033209_100020667443 [1,1,0,0,0,0|1,0,1]=4 3739 B13R1.150 O=C([O-])COc1cccc(c1Br)Br 34a_100010187966_100020667443 [1,1,0,0,0,0|1,0,1]=4 3740 B13R1.150 O=C([O-])COc1cccc(c1Br)Cl 34a_100012348804_100020667443 [1,1,0,0,0,0|1,0,1]=4 3741 B13R1.150 O=C([O-])COc1cccc(c1Br)F 34a_100009820682_100020667443 [1,1,0,0,0,0|1,0,1]=4 3742 B13R1.150 O=C([O-])COc1cccc(c1Br)I 34a_100010187914_100020667443 [1,1,0,0,0,0|1,0,1]=4 3743 B13R1.150 O=C([O-])COc1cccc(c1Cl)Br 34a_100010187913_100020667443 [1,1,0,0,0,0|1,0,1]=4 3744 B13R1.150 O=C([O-])COc1cccc(c1Cl)Cl 34a_100000211076_100020667443 [1,1,0,0,0,0|1,0,1]=4 3745 B13R1.150 O=C([O-])COc1cccc(c1Cl)F 34a_100000087408_100020667443 [1,1,0,0,0,0|1,0,1]=4 3746 B13R1.150 O=C([O-])COc1cccc(c1Cl)I 34a_100000049636_100020667443 [1,1,0,0,0,0|1,0,1]=4 3747 B13R1.150 O=C([O-])COc1cccc(c1F)Br 34a_100009817021_100020667443 [1,1,0,0,0,0|1,0,1]=4 3748 B13R1.150 O=C([O-])COc1cccc(c1F)Cl 34a_100000687438_100020667443 [1,1,0,0,0,0|1,0,1]=4 3749 B13R1.150 O=C([O-])COc1cccc(c1F)F 34a_100000751161_100020667443 [1,1,0,0,0,0|1,0,1]=4 3750 B13R1.150 O=C([O-])COc1cccc(c1I)Br 34a_100010187912_100020667443 [1,1,0,0,0,0|1,0,1]=4 3751 B13R1.150 O=C([O-])COc1cccc(c1I)Cl 34a_100000050174_100020667443 [1,1,0,0,0,0|1,0,1]=4 3752 B13R1.150 O=C([O-])COc1cccc(c1I)F 34a_100000690913_100020667443 [1,1,0,0,0,0|1,0,1]=4 3753 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [1,1,0,0,0,0|2,0,0]=4 3754 B13R1.157 Cc1ccccc1OCC(C)(C)O 34a_100000210338_100000764493 [1,1,0,0,0,0|1,0,1]=4 3755 B13R1.157 Cc1ccccc1OCC(C)(C)O 7a_100000210338_100000764493 [1,1,0,0,0,0|1,0,1]=4 3756 B13R1.157 Cc1ccccc1OCS(=O)(=O)[O-] 34a_100000210338_100009817235 [1,1,0,0,0,0|1,0,1]=4 3757 B13R1.164 C=C(C)COc1ccc(cc1C)Br 34a_100000186361_100000748629 [1,1,0,0,0,0|2,0,0]=4 3758 B13R1.164 C=C(C)COc1ccc(cc1C)Br 7a_100000186361_100000748629 [1,1,0,0,0,0|2,0,0]=4 3759 B13R1.164 C=C(C)COc1ccc(cc1C)C 34a_100000211776_100000748629 [1,1,0,0,0,0|2,0,0]=4 3760 B13R1.164 C=C(C)COc1ccc(cc1C)C 7a_100000211776_100000748629 [1,1,0,0,0,0|2,0,0]=4 3761 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748629 [1,1,0,0,0,0|2,0,0]=4 3762 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748629 [1,1,0,0,0,0|2,0,0]=4 3763 B13R1.164 C=C(C)COc1ccc(cc1C)F 34a_100000764316_100000748629 [1,1,0,0,0,0|2,0,0]=4 3764 B13R1.164 C=C(C)COc1ccc(cc1C)F 7a_100000764316_100000748629 [1,1,0,0,0,0|2,0,0]=4 3765 B13R1.164 C=C(C)COc1ccc(cc1C)I 34a_100011218673_100000748629 [1,1,0,0,0,0|2,0,0]=4 3766 B13R1.164 C=C(C)COc1ccc(cc1C)I 7a_100011218673_100000748629 [1,1,0,0,0,0|2,0,0]=4 3767 B13R1.164 C=C(C)COc1ccc(cc1C)N 34a_100011218179_100000748629 [1,1,0,0,0,0|2,0,0]=4 3768 B13R1.164 C=C(C)COc1ccc(cc1C)N 7a_100011218179_100000748629 [1,1,0,0,0,0|2,0,0]=4 3769 B13R1.164 C=C(F)COc1ccc(cc1C)Br 34a_100000186361_100009893438 [1,1,0,0,0,0|2,0,0]=4 3770 B13R1.164 C=C(F)COc1ccc(cc1C)Br 7a_100000186361_100000042424 [1,1,0,0,0,0|2,0,0]=4 3771 B13R1.164 C=C(F)COc1ccc(cc1C)C 34a_100000211776_100009893438 [1,1,0,0,0,0|2,0,0]=4 3772 B13R1.164 C=C(F)COc1ccc(cc1C)C 7a_100000211776_100000042424 [1,1,0,0,0,0|2,0,0]=4 3773 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 34a_100000211091_100009893438 [1,1,0,0,0,0|2,0,0]=4 3774 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 7a_100000211091_100000042424 [1,1,0,0,0,0|2,0,0]=4 3775 B13R1.164 C=C(F)COc1ccc(cc1C)F 34a_100000764316_100009893438 [1,1,0,0,0,0|2,0,0]=4 3776 B13R1.164 C=C(F)COc1ccc(cc1C)F 7a_100000764316_100000042424 [1,1,0,0,0,0|2,0,0]=4 3777 B13R1.164 C=C(F)COc1ccc(cc1C)I 34a_100011218673_100009893438 [1,1,0,0,0,0|2,0,0]=4 3778 B13R1.164 C=C(F)COc1ccc(cc1C)I 7a_100011218673_100000042424 [1,1,0,0,0,0|2,0,0]=4 3779 B13R1.164 C=C(F)COc1ccc(cc1C)N 34a_100011218179_100009893438 [1,1,0,0,0,0|2,0,0]=4 3780 B13R1.164 C=C(F)COc1ccc(cc1C)N 7a_100011218179_100000042424 [1,1,0,0,0,0|2,0,0]=4 3781 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [1,1,0,0,0,0|2,0,0]=4 3782 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [1,1,0,0,0,0|2,0,0]=4 3783 B13R1.164 CC(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200000210301 [1,1,0,0,0,0|2,0,0]=4 3784 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3785 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [1,1,0,0,0,0|2,0,0]=4 3786 B13R1.164 CC(=O)COc1ccc(cc1Br)F 1458a_100000184067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3787 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [1,1,0,0,0,0|1,0,0]=3 3788 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [1,1,0,0,0,0|1,0,0]=3 3789 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [1,1,0,0,0,0|2,0,0]=4 3790 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [1,1,0,0,0,0|2,0,0]=4 3791 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [1,1,0,0,0,0|2,0,0]=4 3792 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3793 B13R1.164 CC(=O)COc1ccc(cc1F)Br 1458a_100000184069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3794 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3795 B13R1.164 CC(=O)COc1ccc(cc1F)F 1458a_100000737261_200000210301 [1,1,0,0,0,0|2,0,0]=4 3796 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3797 B13R1.164 CC(=O)CSc1ccc(cc1C)Br 1458a_100000679851_200000210301 [1,1,0,0,0,0|1,1,0]=4 3798 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)C 34a_200000068632_100000187820 [1,1,0,0,0,0|2,0,0]=4 3799 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)C 7a_200000068632_100000187820 [1,1,0,0,0,0|2,0,0]=4 3800 B13R1.164 Cc1cc(c(cn1)OCC(=O)[O-])C 34a_200000068632_100020667443 [1,1,0,0,0,0|1,0,1]=4 3801 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [1,1,0,0,0,0|2,0,0]=4 3802 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 34a_100000211769_100000187820 [1,1,0,0,0,0|2,0,0]=4 3803 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 7a_100000211769_100000187820 [1,1,0,0,0,0|2,0,0]=4 3804 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 34a_100000210418_100000187820 [1,1,0,0,0,0|2,0,0]=4 3805 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 7a_100000210418_100000187820 [1,1,0,0,0,0|2,0,0]=4 3806 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 34a_100000211637_100000187820 [1,1,0,0,0,0|2,0,0]=4 3807 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 7a_100000211637_100000187820 [1,1,0,0,0,0|2,0,0]=4 3808 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 34a_100000184554_100000187820 [1,1,0,0,0,0|2,0,0]=4 3809 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 7a_100000184554_100000187820 [1,1,0,0,0,0|2,0,0]=4 3810 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [1,1,0,0,0,0|2,0,0]=4 3811 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Br 34a_100000211769_100020667443 [1,1,0,0,0,0|1,0,1]=4 3812 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Cl 34a_100000210418_100020667443 [1,1,0,0,0,0|1,0,1]=4 3813 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])F 34a_100000211637_100020667443 [1,1,0,0,0,0|1,0,1]=4 3814 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])I 34a_100000184554_100020667443 [1,1,0,0,0,0|1,0,1]=4 3815 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [1,1,0,0,0,0|1,0,1]=4 3816 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 34a_100000186361_100000187820 [1,1,0,0,0,0|1,0,0]=3 3817 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 7a_100000186361_100000187820 [1,1,0,0,0,0|1,0,0]=3 3818 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 34a_100000211091_100000187820 [1,1,0,0,0,0|1,0,0]=3 3819 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 7a_100000211091_100000187820 [1,1,0,0,0,0|1,0,0]=3 3820 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 34a_100000764316_100000187820 [1,1,0,0,0,0|1,0,0]=3 3821 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 7a_100000764316_100000187820 [1,1,0,0,0,0|1,0,0]=3 3822 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 34a_100011218673_100000187820 [1,1,0,0,0,0|1,0,0]=3 3823 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 7a_100011218673_100000187820 [1,1,0,0,0,0|1,0,0]=3 3824 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 34a_100011218179_100000187820 [1,1,0,0,0,0|1,0,0]=3 3825 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 7a_100011218179_100000187820 [1,1,0,0,0,0|1,0,0]=3 3826 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [1,1,0,0,0,0|1,0,0]=3 3827 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Br 34a_100000186361_100020667443 [1,1,0,0,0,0|0,0,1]=3 3828 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl 34a_100000211091_100020667443 [1,1,0,0,0,0|0,0,1]=3 3829 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])F 34a_100000764316_100020667443 [1,1,0,0,0,0|0,0,1]=3 3830 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])I 34a_100011218673_100020667443 [1,1,0,0,0,0|0,0,1]=3 3831 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])N 34a_100011218179_100020667443 [1,1,0,0,0,0|0,0,1]=3 3832 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [1,1,0,0,0,0|1,0,1]=4 3833 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [1,1,0,0,0,0|1,0,1]=4 3834 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [1,1,0,0,0,0|1,0,1]=4 3835 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [1,1,0,0,0,0|1,0,1]=4 3836 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [1,1,0,0,0,0|1,0,1]=4 3837 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [1,1,0,0,0,0|1,0,1]=4 3838 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [1,1,0,0,0,0|1,0,1]=4 3839 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [1,1,0,0,0,0|1,0,1]=4 3840 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [1,1,0,0,0,0|1,0,1]=4 3841 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [1,1,0,0,0,0|1,0,1]=4 3842 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [1,1,0,0,0,0|1,0,1]=4 3843 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [1,1,0,0,0,0|1,0,1]=4 3844 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [1,1,0,0,0,0|1,0,1]=4 3845 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [1,1,0,0,0,0|1,0,1]=4 3846 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [1,1,0,0,0,0|1,0,1]=4 3847 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [1,1,0,0,0,0|1,0,1]=4 3848 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [1,1,0,0,0,0|1,0,1]=4 3849 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [1,1,0,0,0,0|1,0,1]=4 3850 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [1,1,0,0,0,0|1,0,1]=4 3851 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [1,1,0,0,0,0|1,0,1]=4 3852 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Br 34a_100000186361_100000761209 [1,1,0,0,0,0|1,0,1]=4 3853 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000211091_100000761209 [1,1,0,0,0,0|1,0,1]=4 3854 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])F 34a_100000764316_100000761209 [1,1,0,0,0,0|1,0,1]=4 3855 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])I 34a_100011218673_100000761209 [1,1,0,0,0,0|1,0,1]=4 3856 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])N 34a_100011218179_100000761209 [1,1,0,0,0,0|1,0,1]=4 3857 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000701812_100000747473 [1,1,0,0,0,0|1,1,0]=4 3858 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000747473_100000701812 [1,1,0,0,0,0|1,1,0]=4 3859 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100000747473_100011219607 [1,1,0,0,0,0|1,1,0]=4 3860 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100011219607_100000747473 [1,1,0,0,0,0|1,1,0]=4 3861 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100000747473_100011205405 [1,1,0,0,0,0|1,1,0]=4 3862 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100011205405_100000747473 [1,1,0,0,0,0|1,1,0]=4 3863 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000210723_100000747473 [1,1,0,0,0,0|1,1,0]=4 3864 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000747473_100000210723 [1,1,0,0,0,0|1,1,0]=4 3865 B13R1.164 Cc1cc(ccc1SCC(=O)N)O 62a_100000747473_100000690111 [1,1,0,0,0,0|1,1,0]=4 3866 B13R1.164 Cc1cc(ccc1SCC(=O)[13CH3])Br 1458a_100000679851_200025704644 [1,1,0,0,0,0|1,1,0]=4 3867 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100000701812_100020667443 [1,1,0,0,0,0|0,1,1]=4 3868 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100000701812 [1,1,0,0,0,0|0,1,1]=4 3869 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100011219607_100020667443 [1,1,0,0,0,0|0,1,1]=4 3870 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100011219607 [1,1,0,0,0,0|0,1,1]=4 3871 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100011205405_100020667443 [1,1,0,0,0,0|0,1,1]=4 3872 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100011205405 [1,1,0,0,0,0|0,1,1]=4 3873 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100000210723_100020667443 [1,1,0,0,0,0|0,1,1]=4 3874 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100020667443_100000210723 [1,1,0,0,0,0|0,1,1]=4 3875 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100000690111 [1,1,0,0,0,0|0,1,1]=4 3876 B13R1.164 Cc1cc(cnc1OCC(=O)N)Br 34a_100000685391_100000187820 [1,1,0,0,0,0|2,0,0]=4 3877 B13R1.164 Cc1cc(cnc1OCC(=O)[O-])Br 34a_100000685391_100020667443 [1,1,0,0,0,0|1,0,1]=4 3878 B13R1.164 Cc1cc(ncc1OCC(=O)N)Cl 34a_100000692680_100000187820 [1,1,0,0,0,0|2,0,0]=4 3879 B13R1.164 Cc1cc(ncc1OCC(=O)N)Cl 7a_100000692680_100000187820 [1,1,0,0,0,0|2,0,0]=4 3880 B13R1.164 Cc1cc(ncc1OCC(=O)N)F 34a_100009856773_100000187820 [1,1,0,0,0,0|2,0,0]=4 3881 B13R1.164 Cc1cc(ncc1OCC(=O)N)F 7a_100009856773_100000187820 [1,1,0,0,0,0|2,0,0]=4 3882 B13R1.164 Cc1cc(ncc1OCC(=O)[O-])Cl 34a_100000692680_100020667443 [1,1,0,0,0,0|1,0,1]=4 3883 B13R1.164 Cc1cc(ncc1OCC(=O)[O-])F 34a_100009856773_100020667443 [1,1,0,0,0,0|1,0,1]=4 3884 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 34a_100000210800_100000187820 [1,1,0,0,0,0|2,0,0]=4 3885 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 7a_100000210800_100000187820 [1,1,0,0,0,0|2,0,0]=4 3886 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [1,1,0,0,0,0|2,0,0]=4 3887 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000210800_100020667443 [1,1,0,0,0,0|1,0,1]=4 3888 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 34a_100000736561_100000187820 [1,1,0,0,0,0|2,0,0]=4 3890 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 7a_100000736561_100000187820 [1,1,0,0,0,0|2,0,0]=4 3891 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000736561_100020667443 [1,1,0,0,0,0|1,0,1]=4 3892 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 34a_100000211776_100000187820 [1,1,0,0,0,0|1,0,0]=3 3893 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 7a_100000211776_100000187820 [1,1,0,0,0,0|1,0,0]=3 3894 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [1,1,0,0,0,0|1,0,0]=3 3895 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[O-] 34a_100000211776_100020667443 [1,1,0,0,0,0|0,0,1]=3 3896 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [1,1,0,0,0,0|1,0,1]=4 3897 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [1,1,0,0,0,0|1,0,1]=4 3898 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [1,1,0,0,0,0|1,0,1]=4 3899 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [1,1,0,0,0,0|1,0,1]=4 3900 B13R1.164 Cc1ccc(c(c1)C)OC[N+](=O)[O-] 34a_100000211776_100000761209 [1,1,0,0,0,0|1,0,1]=4 3901 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100000747473_100011217332 [1,1,0,0,0,0|1,1,0]=4 3902 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100011217332_100000747473 [1,1,0,0,0,0|1,1,0]=4 3903 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100011217332_100020667443 [1,1,0,0,0,0|0,1,1]=4 3904 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100020667443_100011217332 [1,1,0,0,0,0|0,1,1]=4 3905 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 34a_100000749699_100000187820 [1,1,0,0,0,0|2,0,0]=4 3906 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 7a_100000749699_100000187820 [1,1,0,0,0,0|2,0,0]=4 3907 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [1,1,0,0,0,0|2,0,0]=4 3908 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000749699_100020667443 [1,1,0,0,0,0|1,0,1]=4 3909 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 34a_100011216688_100000187820 [1,1,0,0,0,0|2,0,0]=4 3910 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 7a_100011216688_100000187820 [1,1,0,0,0,0|2,0,0]=4 3911 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011216688_100020667443 [1,1,0,0,0,0|1,0,1]=4 3912 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 34a_100000765521_100000187820 [1,1,0,0,0,0|2,0,0]=4 3913 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 7a_100000765521_100000187820 [1,1,0,0,0,0|2,0,0]=4 3914 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)[O-] 34a_100000765521_100020667443 [1,1,0,0,0,0|1,0,1]=4 3915 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 34a_100011215204_100000187820 [1,1,0,0,0,0|2,0,0]=4 3916 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 7a_100011215204_100000187820 [1,1,0,0,0,0|2,0,0]=4 3917 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)[O-] 34a_100011215204_100020667443 [1,1,0,0,0,0|1,0,1]=4 3918 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [1,1,0,0,0,0|2,0,0]=4 3919 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)N 34a_100011218912_100000187820 [1,1,0,0,0,0|2,0,0]=4 3920 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)N 7a_100011218912_100000187820 [1,1,0,0,0,0|2,0,0]=4 3921 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)[O-] 34a_100011218912_100020667443 [1,1,0,0,0,0|1,0,1]=4 3922 B13R1.164 Cc1nc(ccc1OCC(=O)N)Br 34a_100012002022_100000187820 [1,1,0,0,0,0|2,0,0]=4 3923 B13R1.164 Cc1nc(ccc1OCC(=O)N)Br 7a_100012002022_100000187820 [1,1,0,0,0,0|2,0,0]=4 3924 B13R1.164 Cc1nc(ccc1OCC(=O)N)Cl 34a_100012184626_100000187820 [1,1,0,0,0,0|2,0,0]=4 3925 B13R1.164 Cc1nc(ccc1OCC(=O)N)Cl 7a_100012184626_100000187820 [1,1,0,0,0,0|2,0,0]=4 3926 B13R1.164 Cc1nc(ccc1OCC(=O)N)F 34a_100009881036_100000187820 [1,1,0,0,0,0|2,0,0]=4 3927 B13R1.164 Cc1nc(ccc1OCC(=O)N)F 7a_100009881036_100000187820 [1,1,0,0,0,0|2,0,0]=4 3928 B13R1.164 Cc1nc(ccc1OCC(=O)N)I 34a_100010233687_100000187820 [1,1,0,0,0,0|2,0,0]=4 3929 B13R1.164 Cc1nc(ccc1OCC(=O)N)I 7a_100010233687_100000187820 [1,1,0,0,0,0|2,0,0]=4 3930 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])Br 34a_100012002022_100020667443 [1,1,0,0,0,0|1,0,1]=4 3931 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])Cl 34a_100012184626_100020667443 [1,1,0,0,0,0|1,0,1]=4 3932 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])F 34a_100009881036_100020667443 [1,1,0,0,0,0|1,0,1]=4 3933 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])I 34a_100010233687_100020667443 [1,1,0,0,0,0|1,0,1]=4 3934 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000187820 [1,1,0,0,0,0|2,0,0]=4 3935 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000187820 [1,1,0,0,0,0|2,0,0]=4 3936 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000187820 [1,1,0,0,0,0|2,0,0]=4 3937 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000187820 [1,1,0,0,0,0|2,0,0]=4 3938 B13R1.164 NC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000187820 [1,1,0,0,0,0|2,0,0]=4 3939 B13R1.164 NC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000187820 [1,1,0,0,0,0|2,0,0]=4 3940 B13R1.164 NC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000187820 [1,1,0,0,0,0|2,0,0]=4 3941 B13R1.164 NC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000187820 [1,1,0,0,0,0|2,0,0]=4 3942 B13R1.164 NC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000187820 [1,1,0,0,0,0|2,0,0]=4 3943 B13R1.164 NC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000187820 [1,1,0,0,0,0|2,0,0]=4 3944 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000187820 [1,1,0,0,0,0|2,0,0]=4 3945 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000187820 [1,1,0,0,0,0|2,0,0]=4 3946 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000187820 [1,1,0,0,0,0|2,0,0]=4 3947 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000187820 [1,1,0,0,0,0|2,0,0]=4 3948 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000187820 [1,1,0,0,0,0|2,0,0]=4 3949 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000187820 [1,1,0,0,0,0|2,0,0]=4 3950 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000187820 [1,1,0,0,0,0|2,0,0]=4 3951 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000187820 [1,1,0,0,0,0|2,0,0]=4 3952 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000187820 [1,1,0,0,0,0|2,0,0]=4 3953 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000187820 [1,1,0,0,0,0|2,0,0]=4 3954 B13R1.164 NC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000187820 [1,1,0,0,0,0|2,0,0]=4 3955 B13R1.164 NC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000187820 [1,1,0,0,0,0|2,0,0]=4 3956 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000187820 [1,1,0,0,0,0|2,0,0]=4 3957 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000187820 [1,1,0,0,0,0|2,0,0]=4 3958 B13R1.164 NC(=O)COc1ccc(cc1F)F 34a_100000230127_100000187820 [1,1,0,0,0,0|2,0,0]=4 3959 B13R1.164 NC(=O)COc1ccc(cc1F)F 7a_100000230127_100000187820 [1,1,0,0,0,0|2,0,0]=4 3960 B13R1.164 NC(=O)COc1ccc(cc1F)I 34a_100011356965_100000187820 [1,1,0,0,0,0|2,0,0]=4 3961 B13R1.164 NC(=O)COc1ccc(cc1F)I 7a_100011356965_100000187820 [1,1,0,0,0,0|2,0,0]=4 3962 B13R1.164 NC(=O)COc1ccc(cc1F)N 34a_100011220035_100000187820 [1,1,0,0,0,0|2,0,0]=4 3963 B13R1.164 NC(=O)COc1ccc(cc1F)N 7a_100011220035_100000187820 [1,1,0,0,0,0|2,0,0]=4 3964 B13R1.164 NC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000187820 [1,1,0,0,0,0|2,0,0]=4 3965 B13R1.164 NC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000187820 [1,1,0,0,0,0|2,0,0]=4 3966 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000187820 [1,1,0,0,0,0|2,0,0]=4 3967 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000187820 [1,1,0,0,0,0|2,0,0]=4 3968 B13R1.164 NC(=O)COc1ccc(cc1I)F 34a_100012355409_100000187820 [1,1,0,0,0,0|2,0,0]=4 3969 B13R1.164 NC(=O)COc1ccc(cc1I)F 7a_100012355409_100000187820 [1,1,0,0,0,0|2,0,0]=4 3970 B13R1.164 NC(=O)COc1ccc(cc1I)I 7a_100010001573_100000187820 [1,1,0,0,0,0|2,0,0]=4 3971 B13R1.164 NC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000187820 [1,1,0,0,0,0|2,0,0]=4 3972 B13R1.164 NC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000187820 [1,1,0,0,0,0|2,0,0]=4 3973 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000187820 [1,1,0,0,0,0|2,0,0]=4 3974 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000187820 [1,1,0,0,0,0|2,0,0]=4 3975 B13R1.164 NC(=O)COc1ccc(cc1N)F 34a_100000759472_100000187820 [1,1,0,0,0,0|2,0,0]=4 3976 B13R1.164 NC(=O)COc1ccc(cc1N)F 7a_100000759472_100000187820 [1,1,0,0,0,0|2,0,0]=4 3977 B13R1.164 NC(=O)COc1ccc(cc1N)I 34a_100000753495_100000187820 [1,1,0,0,0,0|2,0,0]=4 3978 B13R1.164 NC(=O)COc1ccc(cc1N)I 7a_100000753495_100000187820 [1,1,0,0,0,0|2,0,0]=4 3979 B13R1.164 NC(=O)COc1ccc(cc1N)N 34a_100000725306_100000187820 [1,1,0,0,0,0|2,0,0]=4 3980 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Br 34a_100000752626_100020667443 [1,1,0,0,0,0|1,0,1]=4 3981 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Cl 34a_100000210500_100020667443 [1,1,0,0,0,0|1,0,1]=4 3982 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])F 34a_100000759472_100020667443 [1,1,0,0,0,0|1,0,1]=4 3983 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])I 34a_100000753495_100020667443 [1,1,0,0,0,0|1,0,1]=4 3984 B13R1.164 Nc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100011534360_100020667443 [1,1,0,0,0,0|1,0,1]=4 3985 B13R1.164 Nc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000744943_100020667443 [1,1,0,0,0,0|1,0,1]=4 3986 B13R1.164 Nc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011220035_100020667443 [1,1,0,0,0,0|1,0,1]=4 3987 B13R1.164 Nc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000725306_100020667443 [1,1,0,0,0,0|1,0,1]=4 3988 B13R1.164 O=C([O-])COc1ccc(cc1Br)Br 34a_100000188717_100020667443 [1,1,0,0,0,0|1,0,1]=4 3989 B13R1.164 O=C([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100020667443 [1,1,0,0,0,0|1,0,1]=4 3990 B13R1.164 O=C([O-])COc1ccc(cc1Br)F 34a_100000211999_100020667443 [1,1,0,0,0,0|1,0,1]=4 3991 B13R1.164 O=C([O-])COc1ccc(cc1Br)I 34a_100012361655_100020667443 [1,1,0,0,0,0|1,0,1]=4 3992 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100020667443 [1,1,0,0,0,0|1,0,1]=4 3993 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100020667443 [1,1,0,0,0,0|1,0,1]=4 3994 B13R1.164 O=C([O-])COc1ccc(cc1Cl)F 34a_100000212004_100020667443 [1,1,0,0,0,0|1,0,1]=4 3995 B13R1.164 O=C([O-])COc1ccc(cc1Cl)I 34a_100012360047_100020667443 [1,1,0,0,0,0|1,0,1]=4 3996 B13R1.164 O=C([O-])COc1ccc(cc1F)Br 34a_100000185481_100020667443 [1,1,0,0,0,0|1,0,1]=4 3997 B13R1.164 O=C([O-])COc1ccc(cc1F)Cl 34a_100000230166_100020667443 [1,1,0,0,0,0|1,0,1]=4 3998 B13R1.164 O=C([O-])COc1ccc(cc1F)F 34a_100000230127_100020667443 [1,1,0,0,0,0|1,0,1]=4 3999 B13R1.164 O=C([O-])COc1ccc(cc1F)I 34a_100011356965_100020667443 [1,1,0,0,0,0|1,0,1]=4 4000 B13R1.164 O=C([O-])COc1ccc(cc1I)Br 34a_100012355227_100020667443 [1,1,0,0,0,0|1,0,1]=4 4001 B13R1.164 O=C([O-])COc1ccc(cc1I)Cl 34a_100011356953_100020667443 [1,1,0,0,0,0|1,0,1]=4 4002 B13R1.164 O=C([O-])COc1ccc(cc1I)F 34a_100012355409_100020667443 [1,1,0,0,0,0|1,0,1]=4 4003 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200025704644 [1,1,0,0,0,0|2,0,0]=4 4004 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [1,1,0,0,0,0|2,0,0]=4 4005 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)F 1458a_100000184067_200025704644 [1,1,0,0,0,0|2,0,0]=4 4006 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [1,1,0,0,0,0|2,0,0]=4 4007 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [1,1,0,0,0,0|2,0,0]=4 4008 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4009 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Br 1458a_100000184069_200025704644 [1,1,0,0,0,0|2,0,0]=4 4010 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [1,1,0,0,0,0|2,0,0]=4 4011 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)F 1458a_100000737261_200025704644 [1,1,0,0,0,0|2,0,0]=4 4012 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [1,1,0,0,0,0|2,0,0]=4 4013 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [1,1,0,0,0,0|2,0,0]=4 4014 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [1,1,0,0,0,0|2,0,0]=4 4016 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [1,1,0,0,0,0|2,0,0]=4 4017 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [1,1,0,0,0,0|1,0,1]=4 4018 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [1,1,0,0,0,0|2,0,0]=4 4019 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [1,1,0,0,0,0|2,0,0]=4 4020 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [1,1,0,0,0,0|2,0,0]=4 4021 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [1,1,0,0,0,0|1,0,0]=3 4022 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [1,1,0,0,0,0|1,0,1]=4 4023 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [1,1,0,0,0,0|1,0,1]=4 4024 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [1,1,0,0,0,0|1,0,0]=3 4025 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [1,1,0,0,0,0|2,0,0]=4 4026 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [1,1,0,0,0,0|2,0,0]=4 4027 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [1,1,0,0,0,0|2,0,0]=4 4028 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [1,1,0,0,0,0|2,0,0]=4 4029 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [1,1,0,0,0,0|1,0,0]=3 4030 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [1,1,0,0,0,0|1,0,0]=3 4031 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [1,1,0,0,0,0|2,0,0]=4 4032 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [1,1,0,0,0,0|2,0,0]=4 4033 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [1,1,0,0,0,0|2,0,0]=4 4035 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [1,1,0,0,0,0|2,0,0]=4 4036 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [1,1,0,0,0,0|2,0,0]=4 4037 B13R1.202 CC(=O)C(C)Oc1cccnc1C 7a_100000745507_100000179758 [1,1,0,0,0,0|2,0,0]=4 4038 B13R1.202 CC(=O)C(C)Oc1cnccc1C 7a_100011997053_100000179758 [1,1,0,0,0,0|2,0,0]=4 4039 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [1,1,0,0,0,0|1,1,0]=4 4040 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [1,1,0,0,0,0|1,1,0]=4 4041 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [1,1,0,0,0,0|2,0,0]=4 4042 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [1,1,0,0,0,0|2,0,0]=4 4043 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [1,1,0,0,0,0|2,0,0]=4 4044 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [1,1,0,0,0,0|2,0,0]=4 4045 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [1,1,0,0,0,0|2,0,0]=4 4046 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [1,1,0,0,0,0|2,0,0]=4 4047 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [1,1,0,0,0,0|2,0,0]=4 4048 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [1,1,0,0,0,0|2,0,0]=4 4049 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [1,1,0,0,0,0|2,0,0]=4 4050 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [1,1,0,0,0,0|2,0,0]=4 4051 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [1,1,0,0,0,0|2,0,0]=4 4052 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [1,1,0,0,0,0|2,0,0]=4 4053 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [1,1,0,0,0,0|2,0,0]=4 4054 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [1,1,0,0,0,0|2,0,0]=4 4055 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [1,1,0,0,0,0|2,0,0]=4 4056 B13R1.202 Cc1ccccc1NC(F)C(=O)N 34a_100015192222_100009813875 [1,1,0,0,0,0|2,0,0]=4 4057 B13R1.202 Cc1ccccc1NC(F)C(=O)[O-] 34a_100015192222_100020610796 [1,1,0,0,0,0|1,0,1]=4 4058 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [1,1,0,0,0,0|1,0,0]=3 4059 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [1,1,0,0,0,0|1,0,0]=3 4060 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [1,1,0,0,0,0|1,0,0]=3 4061 B13R1.202 Cc1ccccc1OC(F)C(=O)N 34a_100000210338_100009813875 [1,1,0,0,0,0|1,0,0]=3 4062 B13R1.202 Cc1ccccc1OC(F)C(=O)N 7a_100000210338_100009813875 [1,1,0,0,0,0|1,0,0]=3 4063 B13R1.202 Cc1ccccc1OC(F)C(=O)[O-] 34a_100000210338_100020610796 [1,1,0,0,0,0|0,0,1]=3 4064 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000210755_100000702099 [1,1,0,0,0,0|1,1,0]=4 4065 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210755 [1,1,0,0,0,0|1,1,0]=4 4066 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100000210755_100009813875 [1,1,0,0,0,0|1,1,0]=4 4067 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100009813875_100000210755 [1,1,0,0,0,0|1,1,0]=4 4068 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100000210755_100020610796 [1,1,0,0,0,0|0,1,1]=4 4069 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210755 [1,1,0,0,0,0|0,1,1]=4 4070 B13R1.202 Cc1ccncc1OC(C)C(=O)N 34a_100011997053_100000702099 [1,1,0,0,0,0|2,0,0]=4 4071 B13R1.202 Cc1ccncc1OC(C)C(=O)N 7a_100011997053_100000702099 [1,1,0,0,0,0|2,0,0]=4 4072 B13R1.202 Cc1ccncc1OC(F)C(=O)N 34a_100011997053_100009813875 [1,1,0,0,0,0|2,0,0]=4 4073 B13R1.202 Cc1ccncc1OC(F)C(=O)N 7a_100011997053_100009813875 [1,1,0,0,0,0|2,0,0]=4 4074 B13R1.202 Cc1ccncc1OC(F)C(=O)[O-] 34a_100011997053_100020610796 [1,1,0,0,0,0|1,0,1]=4 4075 B13R1.202 Cc1cnccc1OC(C)C(=O)N 34a_100000694293_100000702099 [1,1,0,0,0,0|2,0,0]=4 4076 B13R1.202 Cc1cnccc1OC(F)C(=O)N 34a_100000694293_100009813875 [1,1,0,0,0,0|2,0,0]=4 4077 B13R1.202 Cc1cnccc1OC(F)C(=O)[O-] 34a_100000694293_100020610796 [1,1,0,0,0,0|1,0,1]=4 4078 B13R1.202 Cc1ncccc1OC(C)C(=O)N 34a_100000745507_100000702099 [1,1,0,0,0,0|2,0,0]=4 4079 B13R1.202 Cc1ncccc1OC(C)C(=O)N 7a_100000745507_100000702099 [1,1,0,0,0,0|2,0,0]=4 4080 B13R1.202 Cc1ncccc1OC(F)C(=O)N 34a_100000745507_100009813875 [1,1,0,0,0,0|2,0,0]=4 4081 B13R1.202 Cc1ncccc1OC(F)C(=O)N 7a_100000745507_100009813875 [1,1,0,0,0,0|2,0,0]=4 4082 B13R1.202 Cc1ncccc1OC(F)C(=O)[O-] 34a_100000745507_100020610796 [1,1,0,0,0,0|1,0,1]=4 4083 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100009813875 [1,1,0,0,0,0|2,0,0]=4 4084 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100009813875 [1,1,0,0,0,0|2,0,0]=4 4085 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100009813875 [1,1,0,0,0,0|2,0,0]=4 4086 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100009813875 [1,1,0,0,0,0|2,0,0]=4 4087 B13R1.202 NC(=O)C(F)Oc1ccccc1F 34a_100000210171_100009813875 [1,1,0,0,0,0|2,0,0]=4 4088 B13R1.202 NC(=O)C(F)Oc1ccccc1F 7a_100000210171_100009813875 [1,1,0,0,0,0|2,0,0]=4 4089 B13R1.202 NC(=O)C(F)Oc1ccccc1I 34a_100000739446_100009813875 [1,1,0,0,0,0|2,0,0]=4 4090 B13R1.202 NC(=O)C(F)Oc1ccccc1I 7a_100000739446_100009813875 [1,1,0,0,0,0|2,0,0]=4 4091 B13R1.202 NC(=O)C(F)Oc1ccccc1N 34a_100000185747_100009813875 [1,1,0,0,0,0|2,0,0]=4 4092 B13R1.202 NC(=O)C(F)Oc1ccccc1N 7a_100000185747_100009813875 [1,1,0,0,0,0|2,0,0]=4 4093 B13R1.202 Nc1ccccc1OC(F)C(=O)[O-] 34a_100000185747_100020610796 [1,1,0,0,0,0|1,0,1]=4 4094 B13R1.202 O=C([O-])C(F)Oc1ccccc1Br 34a_100000181306_100020610796 [1,1,0,0,0,0|1,0,1]=4 4095 B13R1.202 O=C([O-])C(F)Oc1ccccc1Cl 34a_100000210172_100020610796 [1,1,0,0,0,0|1,0,1]=4 4096 B13R1.202 O=C([O-])C(F)Oc1ccccc1F 34a_100000210171_100020610796 [1,1,0,0,0,0|1,0,1]=4 4097 B13R1.202 O=C([O-])C(F)Oc1ccccc1I 34a_100000739446_100020610796 [1,1,0,0,0,0|1,0,1]=4 4098 B13R1.528 C#CC(=O)CCc1ccccc1C 1458a_100000211873_100011713688 [1,1,0,0,0,0|2,0,0]=4 4099 B13R1.528 C=C(C#N)COc1ccccc1C 34a_100000210338_100000694840 [1,1,0,0,0,0|2,0,0]=4 4100 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [1,1,0,0,0,0|2,0,0]=4 4101 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [1,1,0,0,0,0|1,0,1]=4 4102 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [1,1,0,0,0,0|1,0,1]=4 4103 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [1,1,0,0,0,0|2,0,0]=4 4104 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [1,1,0,0,0,0|2,0,0]=4 4105 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [1,1,0,0,0,0|2,0,0]=4 4106 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [1,1,0,0,0,0|2,0,0]=4 4107 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [1,1,0,0,0,0|1,0,0]=3 4108 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [1,1,0,0,0,0|1,0,0]=3 4109 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [1,1,0,0,0,0|2,0,0]=4 4110 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [1,1,0,0,0,0|2,0,0]=4 4111 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [1,1,0,0,0,0|2,0,0]=4 4112 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [1,1,0,0,0,0|2,0,0]=4 4113 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [1,1,0,0,0,0|2,0,0]=4 4114 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [1,1,0,0,0,0|2,0,0]=4 4115 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [1,1,0,0,0,0|2,0,0]=4 4116 B13R1.528 CCC(=O)COc1cccnc1C 7a_100000745507_100000747405 [1,1,0,0,0,0|2,0,0]=4 4117 B13R1.528 CCC(=O)COc1cnccc1C 7a_100011997053_100000747405 [1,1,0,0,0,0|2,0,0]=4 4118 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [1,1,0,0,0,0|1,1,0]=4 4119 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [1,1,0,0,0,0|1,1,0]=4 4120 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [1,1,0,0,0,0|1,1,0]=4 4121 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [1,1,0,0,0,0|1,0,1]=4 4122 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [1,1,0,0,0,0|1,0,1]=4 4123 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [1,1,0,0,0,0|2,0,0]=4 4124 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [1,1,0,0,0,0|2,0,0]=4 4125 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [1,1,0,0,0,0|2,0,0]=4 4126 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [1,1,0,0,0,0|2,0,0]=4 4127 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [1,1,0,0,0,0|2,0,0]=4 4128 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [1,1,0,0,0,0|2,0,0]=4 4129 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [1,1,0,0,0,0|2,0,0]=4 4130 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [1,1,0,0,0,0|2,0,0]=4 4131 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [1,1,0,0,0,0|2,0,0]=4 4132 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [1,1,0,0,0,0|2,0,0]=4 4133 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [1,1,0,0,0,0|2,0,0]=4 4134 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [1,1,0,0,0,0|1,0,0]=3 4135 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [1,1,0,0,0,0|1,0,0]=3 4136 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [1,1,0,0,0,0|1,0,0]=3 4137 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [1,1,0,0,0,0|1,0,0]=3 4138 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [1,1,0,0,0,0|1,0,0]=3 4139 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [1,1,0,0,0,0|1,0,0]=3 4140 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [1,1,0,0,0,0|2,0,0]=4 4141 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [1,1,0,0,0,0|2,0,0]=4 4142 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [1,1,0,0,0,0|2,0,0]=4 4143 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [1,1,0,0,0,0|2,0,0]=4 4144 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [1,1,0,0,0,0|2,0,0]=4 4145 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [1,1,0,0,0,0|2,0,0]=4 4146 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [1,1,0,0,0,0|2,0,0]=4 4147 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [1,1,0,0,0,0|2,0,0]=4 4148 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [1,1,0,0,0,0|2,0,0]=4 4149 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [1,1,0,0,0,0|2,0,0]=4 4150 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [1,1,0,0,0,0|2,0,0]=4 4151 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [1,1,0,0,0,0|2,0,0]=4 4152 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [1,1,0,0,0,0|2,0,0]=4 4153 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [1,1,0,0,0,0|2,0,0]=4 4154 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [1,1,0,0,0,0|2,0,0]=4 4155 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [1,1,0,0,0,0|2,0,0]=4 4156 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [1,1,0,0,0,0|2,0,0]=4 4157 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [1,1,0,0,0,0|2,0,0]=4 4158 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [1,1,0,0,0,0|2,0,0]=4 4159 B13R1.528 CNC(=O)COc1cccnc1C 34a_100000745507_100000183359 [1,1,0,0,0,0|2,0,0]=4 4160 B13R1.528 CNC(=O)COc1cccnc1C 7a_100000745507_100000183359 [1,1,0,0,0,0|2,0,0]=4 4161 B13R1.528 CNC(=O)COc1ccncc1C 34a_100000694293_100000183359 [1,1,0,0,0,0|2,0,0]=4 4162 B13R1.528 CNC(=O)COc1cnccc1C 34a_100011997053_100000183359 [1,1,0,0,0,0|2,0,0]=4 4163 B13R1.528 CNC(=O)COc1cnccc1C 7a_100011997053_100000183359 [1,1,0,0,0,0|2,0,0]=4 4164 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [1,1,0,0,0,0|1,1,0]=4 4165 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [1,1,0,0,0,0|1,1,0]=4 4166 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [1,1,0,0,0,0|1,1,0]=4 4167 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [1,1,0,0,0,0|1,1,0]=4 4168 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [1,1,0,0,0,0|1,1,0]=4 4169 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [1,1,0,0,0,0|1,1,0]=4 4170 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [1,1,0,0,0,0|2,0,0]=4 4171 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [1,1,0,0,0,0|2,0,0]=4 4172 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [1,1,0,0,0,0|1,0,0]=3 4173 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [1,1,0,0,0,0|2,0,0]=4 4174 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [1,1,0,0,0,0|2,0,0]=4 4175 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [1,1,0,0,0,0|2,0,0]=4 4176 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [1,1,0,0,0,0|2,0,0]=4 4177 B13R1.528 COC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747449 [1,1,0,0,0,0|2,0,0]=4 4178 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [1,1,0,0,0,0|1,0,0]=3 4179 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [1,1,0,0,0,0|1,0,0]=3 4180 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [1,1,0,0,0,0|0,0,0]=2 4181 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [1,1,0,0,0,0|0,0,0]=2 4182 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [1,1,0,0,0,0|1,0,0]=3 4183 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [1,1,0,0,0,0|1,0,0]=3 4184 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [1,1,0,0,0,0|1,0,0]=3 4185 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [1,1,0,0,0,0|1,0,0]=3 4186 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [1,1,0,0,0,0|1,0,0]=3 4187 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [1,1,0,0,0,0|1,0,0]=3 4188 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [1,1,0,0,0,0|1,0,0]=3 4189 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [1,1,0,0,0,0|1,0,0]=3 4190 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [1,1,0,0,0,0|1,0,0]=3 4191 B13R1.528 COC(=O)COc1cccnc1Br 34a_100000744436_100000747449 [1,1,0,0,0,0|2,0,0]=4 4192 B13R1.528 COC(=O)COc1cccnc1Br 7a_100000744436_100000747449 [1,1,0,0,0,0|2,0,0]=4 4193 B13R1.528 COC(=O)COc1cccnc1C 34a_100000745507_100000747449 [1,1,0,0,0,0|1,0,0]=3 4194 B13R1.528 COC(=O)COc1cccnc1C 7a_100000745507_100000747449 [1,1,0,0,0,0|1,0,0]=3 4195 B13R1.528 COC(=O)COc1cccnc1Cl 34a_100000757616_100000747449 [1,1,0,0,0,0|2,0,0]=4 4196 B13R1.528 COC(=O)COc1cccnc1Cl 7a_100000757616_100000747449 [1,1,0,0,0,0|2,0,0]=4 4197 B13R1.528 COC(=O)COc1cccnc1F 34a_100000061740_100000747449 [1,1,0,0,0,0|2,0,0]=4 4198 B13R1.528 COC(=O)COc1cccnc1F 7a_100000061740_100000747449 [1,1,0,0,0,0|2,0,0]=4 4199 B13R1.528 COC(=O)COc1cccnc1I 34a_100000034122_100000747449 [1,1,0,0,0,0|2,0,0]=4 4200 B13R1.528 COC(=O)COc1cccnc1I 7a_100000034122_100000747449 [1,1,0,0,0,0|2,0,0]=4 4201 B13R1.528 COC(=O)COc1cccnc1N 34a_100000211975_100000747449 [1,1,0,0,0,0|2,0,0]=4 4202 B13R1.528 COC(=O)COc1cccnc1N 7a_100000211975_100000747449 [1,1,0,0,0,0|2,0,0]=4 4203 B13R1.528 COC(=O)COc1cccoc1=O 34a_100000077404_100000747449 [1,1,0,0,0,0|2,0,0]=4 4204 B13R1.528 COC(=O)COc1cccoc1=O 7a_100000077404_100000747449 [1,1,0,0,0,0|2,0,0]=4 4205 B13R1.528 COC(=O)COc1ccncc1Br 34a_100011996408_100000747449 [1,1,0,0,0,0|2,0,0]=4 4206 B13R1.528 COC(=O)COc1ccncc1C 34a_100000694293_100000747449 [1,1,0,0,0,0|1,0,0]=3 4207 B13R1.528 COC(=O)COc1ccncc1Cl 34a_100011997054_100000747449 [1,1,0,0,0,0|2,0,0]=4 4208 B13R1.528 COC(=O)COc1ccncc1F 34a_200000081243_100000747449 [1,1,0,0,0,0|2,0,0]=4 4209 B13R1.528 COC(=O)COc1cnccc1C 34a_100011997053_100000747449 [1,1,0,0,0,0|1,0,0]=3 4210 B13R1.528 COC(=O)COc1cnccc1C 7a_100011997053_100000747449 [1,1,0,0,0,0|1,0,0]=3 4211 B13R1.528 COC(=O)COc1cnccc1Cl 34a_100011996695_100000747449 [1,1,0,0,0,0|2,0,0]=4 4212 B13R1.528 COC(=O)COc1cnccc1I 34a_100000050107_100000747449 [1,1,0,0,0,0|2,0,0]=4 4213 B13R1.528 COC(=O)COc1cnccc1N 34a_100000753702_100000747449 [1,1,0,0,0,0|2,0,0]=4 4214 B13R1.528 COC(=O)COc1coccc1=O 34a_100000060831_100000747449 [1,1,0,0,0,0|2,0,0]=4 4215 B13R1.528 COC(=O)COc1ncccc1Cl 34a_100011290957_100000747449 [1,1,0,0,0,0|2,0,0]=4 4216 B13R1.528 COC(=O)COc1ncccc1F 34a_100011219419_100000747449 [1,1,0,0,0,0|2,0,0]=4 4217 B13R1.528 COC(=O)COc1ncccc1N 34a_100000746358_100000747449 [1,1,0,0,0,0|2,0,0]=4 4218 B13R1.528 COC(=O)COc1nccnc1C 34a_100000766352_100000747449 [1,1,0,0,0,0|2,0,0]=4 4219 B13R1.528 COC(=O)CSc1cccc[n+]1C 62a_100000747449_100000212160 [1,1,0,0,0,0|1,1,0]=4 4220 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [1,1,0,0,0,0|1,1,0]=4 4221 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [1,1,0,0,0,0|1,1,0]=4 4222 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [1,1,0,0,0,0|0,1,0]=3 4223 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [1,1,0,0,0,0|0,1,0]=3 4224 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [1,1,0,0,0,0|1,1,0]=4 4225 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [1,1,0,0,0,0|1,1,0]=4 4226 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [1,1,0,0,0,0|1,1,0]=4 4227 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [1,1,0,0,0,0|1,1,0]=4 4228 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [1,1,0,0,0,0|1,1,0]=4 4229 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [1,1,0,0,0,0|1,1,0]=4 4230 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [1,1,0,0,0,0|1,1,0]=4 4231 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [1,1,0,0,0,0|1,1,0]=4 4232 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000747449_100000751574 [1,1,0,0,0,0|1,1,0]=4 4233 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000751574_100000747449 [1,1,0,0,0,0|1,1,0]=4 4234 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000747449_100000765111 [1,1,0,0,0,0|1,1,0]=4 4235 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000765111_100000747449 [1,1,0,0,0,0|1,1,0]=4 4236 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000747449_100000761580 [1,1,0,0,0,0|1,1,0]=4 4237 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000761580_100000747449 [1,1,0,0,0,0|1,1,0]=4 4238 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000747449_100000751373 [1,1,0,0,0,0|1,1,0]=4 4239 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000751373_100000747449 [1,1,0,0,0,0|1,1,0]=4 4240 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [1,1,0,0,0,0|1,0,1]=4 4241 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [1,1,0,0,0,0|1,0,1]=4 4242 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [1,1,0,0,0,0|2,0,0]=4 4243 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [1,1,0,0,0,0|1,0,0]=3 4244 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [1,1,0,0,0,0|2,0,0]=4 4245 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [1,1,0,0,0,0|2,0,0]=4 4246 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [1,1,0,0,0,0|2,0,0]=4 4247 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [1,1,0,0,0,0|1,0,0]=3 4248 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [1,1,0,0,0,0|1,0,1]=4 4249 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [1,1,0,0,0,0|1,0,1]=4 4250 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [1,1,0,0,0,0|0,0,2]=4 4251 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [1,1,0,0,0,0|0,0,2]=4 4252 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [1,1,0,0,0,0|1,0,1]=4 4253 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [1,1,0,0,0,0|1,0,1]=4 4254 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [1,1,0,0,0,0|1,0,1]=4 4255 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [1,1,0,0,0,0|1,0,1]=4 4256 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [1,1,0,0,0,0|0,0,2]=4 4257 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [1,1,0,0,0,0|0,0,2]=4 4258 B13R1.528 Cc1ccccc1SCC(=O)CF 1458a_100000183026_100015361967 [1,1,0,0,0,0|1,1,0]=4 4259 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [1,1,0,0,0,0|2,0,0]=4 4260 B13R1.528 O=C(CF)COc1ccccc1Br 1458a_100000216496_100015361967 [1,1,0,0,0,0|2,0,0]=4 4261 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [1,1,0,0,0,0|2,0,0]=4 4262 B13R1.528 O=C(CF)COc1ccccc1F 1458a_100000182486_100015361967 [1,1,0,0,0,0|2,0,0]=4 4263 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [1,1,0,0,0,0|2,0,0]=4 4264 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [1,1,0,0,0,0|2,0,0]=4 4265 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [1,1,0,0,0,0|2,0,0]=4 4266 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [1,1,0,0,0,0|2,0,0]=4 4267 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [1,1,0,0,0,0|2,0,0]=4 4268 B13R1.893 C=C(C)COc1cc(ccc1C)Br 34a_100000685420_100000748629 [1,1,0,0,0,0|2,0,0]=4 4269 B13R1.893 C=C(C)COc1cc(ccc1C)Br 7a_100000685420_100000748629 [1,1,0,0,0,0|2,0,0]=4 4270 B13R1.893 C=C(C)COc1cc(ccc1C)C 34a_100000210931_100000748629 [1,1,0,0,0,0|2,0,0]=4 4271 B13R1.893 C=C(C)COc1cc(ccc1C)C 7a_100000210931_100000748629 [1,1,0,0,0,0|2,0,0]=4 4272 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 34a_100000756515_100000748629 [1,1,0,0,0,0|2,0,0]=4 4273 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 7a_100000756515_100000748629 [1,1,0,0,0,0|2,0,0]=4 4274 B13R1.893 C=C(C)COc1cc(ccc1C)F 34a_100000690566_100000748629 [1,1,0,0,0,0|2,0,0]=4 4275 B13R1.893 C=C(C)COc1cc(ccc1C)F 7a_100000690566_100000748629 [1,1,0,0,0,0|2,0,0]=4 4276 B13R1.893 C=C(C)COc1cc(ccc1C)I 7a_100000766334_100000748629 [1,1,0,0,0,0|2,0,0]=4 4277 B13R1.893 C=C(C)COc1cc(ccc1C)N 34a_100000759471_100000748629 [1,1,0,0,0,0|2,0,0]=4 4278 B13R1.893 C=C(C)COc1cc(ccc1C)N 7a_100000759471_100000748629 [1,1,0,0,0,0|2,0,0]=4 4279 B13R1.893 C=C(F)COc1cc(ccc1C)Br 34a_100000685420_100009893438 [1,1,0,0,0,0|2,0,0]=4 4280 B13R1.893 C=C(F)COc1cc(ccc1C)Br 7a_100000685420_100000042424 [1,1,0,0,0,0|2,0,0]=4 4281 B13R1.893 C=C(F)COc1cc(ccc1C)C 34a_100000210931_100009893438 [1,1,0,0,0,0|2,0,0]=4 4282 B13R1.893 C=C(F)COc1cc(ccc1C)C 7a_100000210931_100000042424 [1,1,0,0,0,0|2,0,0]=4 4283 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 34a_100000756515_100009893438 [1,1,0,0,0,0|2,0,0]=4 4284 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 7a_100000756515_100000042424 [1,1,0,0,0,0|2,0,0]=4 4285 B13R1.893 C=C(F)COc1cc(ccc1C)F 34a_100000690566_100009893438 [1,1,0,0,0,0|2,0,0]=4 4286 B13R1.893 C=C(F)COc1cc(ccc1C)F 7a_100000690566_100000042424 [1,1,0,0,0,0|2,0,0]=4 4287 B13R1.893 C=C(F)COc1cc(ccc1C)I 7a_100000766334_100000042424 [1,1,0,0,0,0|2,0,0]=4 4288 B13R1.893 C=C(F)COc1cc(ccc1C)N 34a_100000759471_100009893438 [1,1,0,0,0,0|2,0,0]=4 4289 B13R1.893 C=C(F)COc1cc(ccc1C)N 7a_100000759471_100000042424 [1,1,0,0,0,0|2,0,0]=4 4290 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4291 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [1,1,0,0,0,0|2,0,0]=4 4292 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [1,1,0,0,0,0|2,0,0]=4 4293 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [1,1,0,0,0,0|1,0,0]=3 4294 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [1,1,0,0,0,0|2,0,0]=4 4295 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [1,1,0,0,0,0|2,0,0]=4 4296 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [1,1,0,0,0,0|2,0,0]=4 4297 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4298 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 2230a_100000185781_100000747473 [1,1,0,0,0,0|2,0,0]=4 4299 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 34a_100000185781_100000187820 [1,1,0,0,0,0|2,0,0]=4 4300 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 7a_100000185781_100000187820 [1,1,0,0,0,0|2,0,0]=4 4301 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [1,1,0,0,0,0|1,0,1]=4 4302 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 34a_100012002257_100000187820 [1,1,0,0,0,0|2,0,0]=4 4303 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 7a_100012002257_100000187820 [1,1,0,0,0,0|2,0,0]=4 4304 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 34a_100000210931_100000187820 [1,1,0,0,0,0|1,0,0]=3 4305 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 7a_100000210931_100000187820 [1,1,0,0,0,0|1,0,0]=3 4306 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 34a_100000211493_100000187820 [1,1,0,0,0,0|2,0,0]=4 4307 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 7a_100000211493_100000187820 [1,1,0,0,0,0|2,0,0]=4 4308 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 34a_100000759540_100000187820 [1,1,0,0,0,0|2,0,0]=4 4309 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 7a_100000759540_100000187820 [1,1,0,0,0,0|2,0,0]=4 4310 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 34a_100000211527_100000187820 [1,1,0,0,0,0|2,0,0]=4 4311 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 7a_100000211527_100000187820 [1,1,0,0,0,0|2,0,0]=4 4312 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [1,1,0,0,0,0|1,0,0]=3 4313 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [1,1,0,0,0,0|1,0,1]=4 4315 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [1,1,0,0,0,0|0,0,1]=3 4316 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [1,1,0,0,0,0|1,0,1]=4 4317 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [1,1,0,0,0,0|1,0,1]=4 4318 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [1,1,0,0,0,0|1,0,1]=4 4319 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 34a_100000210931_100011218427 [1,1,0,0,0,0|1,0,1]=4 4320 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 7a_100000210931_100011218427 [1,1,0,0,0,0|1,0,1]=4 4321 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 34a_100000210931_100009817552 [1,1,0,0,0,0|1,0,1]=4 4322 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 7a_100000210931_100009817552 [1,1,0,0,0,0|1,0,1]=4 4323 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])C 34a_100000210931_100000761209 [1,1,0,0,0,0|1,0,1]=4 4324 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000210833_100000747473 [1,1,0,0,0,0|1,1,0]=4 4325 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100000210833 [1,1,0,0,0,0|1,1,0]=4 4326 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100000210833_100020667443 [1,1,0,0,0,0|0,1,1]=4 4327 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100000210833 [1,1,0,0,0,0|0,1,1]=4 4328 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [1,1,0,0,0,0|2,0,0]=4 4329 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 34a_100000741167_100000187820 [1,1,0,0,0,0|2,0,0]=4 4330 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 7a_100000741167_100000187820 [1,1,0,0,0,0|2,0,0]=4 4331 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 34a_100000211374_100000187820 [1,1,0,0,0,0|2,0,0]=4 4332 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 7a_100000211374_100000187820 [1,1,0,0,0,0|2,0,0]=4 4333 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 34a_100000211107_100000187820 [1,1,0,0,0,0|2,0,0]=4 4334 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 7a_100000211107_100000187820 [1,1,0,0,0,0|2,0,0]=4 4335 B13R1.893 Cc1ccc(cc1NCC(=O)N)I 7a_100000761890_100000187820 [1,1,0,0,0,0|2,0,0]=4 4336 B13R1.893 Cc1ccc(cc1NCC(=O)N)O 34a_100011216113_100000187820 [1,1,0,0,0,0|2,0,0]=4 4337 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Br 34a_100000741167_100020667443 [1,1,0,0,0,0|1,0,1]=4 4338 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Cl 34a_100000211374_100020667443 [1,1,0,0,0,0|1,0,1]=4 4339 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])F 34a_100000211107_100020667443 [1,1,0,0,0,0|1,0,1]=4 4340 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])O 34a_100011216113_100020667443 [1,1,0,0,0,0|1,0,1]=4 4341 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 34a_100000685420_100000187820 [1,1,0,0,0,0|1,0,0]=3 4342 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 7a_100000685420_100000187820 [1,1,0,0,0,0|1,0,0]=3 4343 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 34a_100000756515_100000187820 [1,1,0,0,0,0|1,0,0]=3 4344 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 7a_100000756515_100000187820 [1,1,0,0,0,0|1,0,0]=3 4345 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 34a_100000690566_100000187820 [1,1,0,0,0,0|1,0,0]=3 4346 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 7a_100000690566_100000187820 [1,1,0,0,0,0|1,0,0]=3 4347 B13R1.893 Cc1ccc(cc1OCC(=O)N)I 7a_100000766334_100000187820 [1,1,0,0,0,0|1,0,0]=3 4348 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 34a_100000759471_100000187820 [1,1,0,0,0,0|1,0,0]=3 4349 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 7a_100000759471_100000187820 [1,1,0,0,0,0|1,0,0]=3 4350 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Br 34a_100000685420_100020667443 [1,1,0,0,0,0|0,0,1]=3 4351 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Cl 34a_100000756515_100020667443 [1,1,0,0,0,0|0,0,1]=3 4352 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])F 34a_100000690566_100020667443 [1,1,0,0,0,0|0,0,1]=3 4353 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])N 34a_100000759471_100020667443 [1,1,0,0,0,0|0,0,1]=3 4354 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 34a_100000685420_100011218427 [1,1,0,0,0,0|1,0,1]=4 4355 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 7a_100000685420_100011218427 [1,1,0,0,0,0|1,0,1]=4 4356 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 34a_100000756515_100011218427 [1,1,0,0,0,0|1,0,1]=4 4357 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 7a_100000756515_100011218427 [1,1,0,0,0,0|1,0,1]=4 4358 B13R1.893 Cc1ccc(cc1OCC(C)O)F 34a_100000690566_100011218427 [1,1,0,0,0,0|1,0,1]=4 4359 B13R1.893 Cc1ccc(cc1OCC(C)O)F 7a_100000690566_100011218427 [1,1,0,0,0,0|1,0,1]=4 4360 B13R1.893 Cc1ccc(cc1OCC(C)O)I 7a_100000766334_100011218427 [1,1,0,0,0,0|1,0,1]=4 4361 B13R1.893 Cc1ccc(cc1OCC(C)O)N 34a_100000759471_100011218427 [1,1,0,0,0,0|1,0,1]=4 4362 B13R1.893 Cc1ccc(cc1OCC(C)O)N 7a_100000759471_100011218427 [1,1,0,0,0,0|1,0,1]=4 4363 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 34a_100000685420_100009817552 [1,1,0,0,0,0|1,0,1]=4 4364 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 7a_100000685420_100009817552 [1,1,0,0,0,0|1,0,1]=4 4365 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 34a_100000756515_100009817552 [1,1,0,0,0,0|1,0,1]=4 4366 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 7a_100000756515_100009817552 [1,1,0,0,0,0|1,0,1]=4 4367 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 34a_100000690566_100009817552 [1,1,0,0,0,0|1,0,1]=4 4368 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 7a_100000690566_100009817552 [1,1,0,0,0,0|1,0,1]=4 4369 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)I 7a_100000766334_100009817552 [1,1,0,0,0,0|1,0,1]=4 4370 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 34a_100000759471_100009817552 [1,1,0,0,0,0|1,0,1]=4 4371 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 7a_100000759471_100009817552 [1,1,0,0,0,0|1,0,1]=4 4372 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000685420_100000761209 [1,1,0,0,0,0|1,0,1]=4 4373 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000756515_100000761209 [1,1,0,0,0,0|1,0,1]=4 4374 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])F 34a_100000690566_100000761209 [1,1,0,0,0,0|1,0,1]=4 4375 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])N 34a_100000759471_100000761209 [1,1,0,0,0,0|1,0,1]=4 4376 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100000747473_100011344865 [1,1,0,0,0,0|1,1,0]=4 4377 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100011344865_100000747473 [1,1,0,0,0,0|1,1,0]=4 4378 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100000747473_100011263213 [1,1,0,0,0,0|1,1,0]=4 4379 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100011263213_100000747473 [1,1,0,0,0,0|1,1,0]=4 4380 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100000747473_100011218078 [1,1,0,0,0,0|1,1,0]=4 4381 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100011218078_100000747473 [1,1,0,0,0,0|1,1,0]=4 4382 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000736455_100000747473 [1,1,0,0,0,0|1,1,0]=4 4383 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000747473_100000736455 [1,1,0,0,0,0|1,1,0]=4 4384 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100000747473_100011380479 [1,1,0,0,0,0|1,1,0]=4 4385 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100011380479_100000747473 [1,1,0,0,0,0|1,1,0]=4 4386 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100011344865_100020667443 [1,1,0,0,0,0|0,1,1]=4 4387 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100011344865 [1,1,0,0,0,0|0,1,1]=4 4388 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100011263213_100020667443 [1,1,0,0,0,0|0,1,1]=4 4389 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100011263213 [1,1,0,0,0,0|0,1,1]=4 4390 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100011218078_100020667443 [1,1,0,0,0,0|0,1,1]=4 4391 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100011218078 [1,1,0,0,0,0|0,1,1]=4 4392 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100000736455_100020667443 [1,1,0,0,0,0|0,1,1]=4 4393 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100000736455 [1,1,0,0,0,0|0,1,1]=4 4394 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100011380479_100020667443 [1,1,0,0,0,0|0,1,1]=4 4395 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100011380479 [1,1,0,0,0,0|0,1,1]=4 4396 B13R1.893 Cc1cnc(cc1OCC(=O)N)Br 34a_100000704368_100000187820 [1,1,0,0,0,0|2,0,0]=4 4397 B13R1.893 Cc1cnc(cc1OCC(=O)N)Br 7a_100000704368_100000187820 [1,1,0,0,0,0|2,0,0]=4 4398 B13R1.893 Cc1cnc(cc1OCC(=O)[O-])Br 34a_100000704368_100020667443 [1,1,0,0,0,0|1,0,1]=4 4399 B13R1.893 Cc1ncc(cc1OCC(=O)N)Br 34a_100009864810_100000187820 [1,1,0,0,0,0|2,0,0]=4 4400 B13R1.893 Cc1ncc(cc1OCC(=O)N)Br 7a_100009864810_100000187820 [1,1,0,0,0,0|2,0,0]=4 4401 B13R1.893 Cc1ncc(cc1OCC(=O)[O-])Br 34a_100009864810_100020667443 [1,1,0,0,0,0|1,0,1]=4 4402 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000187820 [1,1,0,0,0,0|2,0,0]=4 4403 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000187820 [1,1,0,0,0,0|2,0,0]=4 4404 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000187820 [1,1,0,0,0,0|2,0,0]=4 4405 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000187820 [1,1,0,0,0,0|2,0,0]=4 4406 B13R1.893 NC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000187820 [1,1,0,0,0,0|2,0,0]=4 4407 B13R1.893 NC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000187820 [1,1,0,0,0,0|2,0,0]=4 4408 B13R1.893 NC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000187820 [1,1,0,0,0,0|2,0,0]=4 4409 B13R1.893 NC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000187820 [1,1,0,0,0,0|2,0,0]=4 4410 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000187820 [1,1,0,0,0,0|2,0,0]=4 4411 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000187820 [1,1,0,0,0,0|2,0,0]=4 4412 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000187820 [1,1,0,0,0,0|2,0,0]=4 4413 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000187820 [1,1,0,0,0,0|2,0,0]=4 4414 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000187820 [1,1,0,0,0,0|2,0,0]=4 4415 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000187820 [1,1,0,0,0,0|2,0,0]=4 4416 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000187820 [1,1,0,0,0,0|2,0,0]=4 4417 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000187820 [1,1,0,0,0,0|2,0,0]=4 4418 B13R1.893 NC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000187820 [1,1,0,0,0,0|2,0,0]=4 4419 B13R1.893 NC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000187820 [1,1,0,0,0,0|2,0,0]=4 4420 B13R1.893 NC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000187820 [1,1,0,0,0,0|2,0,0]=4 4421 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000187820 [1,1,0,0,0,0|2,0,0]=4 4422 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000187820 [1,1,0,0,0,0|2,0,0]=4 4423 B13R1.893 NC(=O)COc1cc(ccc1F)F 34a_100000752141_100000187820 [1,1,0,0,0,0|2,0,0]=4 4424 B13R1.893 NC(=O)COc1cc(ccc1F)F 7a_100000752141_100000187820 [1,1,0,0,0,0|2,0,0]=4 4425 B13R1.893 NC(=O)COc1cc(ccc1F)I 34a_100009958187_100000187820 [1,1,0,0,0,0|2,0,0]=4 4426 B13R1.893 NC(=O)COc1cc(ccc1F)I 7a_100009958187_100000187820 [1,1,0,0,0,0|2,0,0]=4 4427 B13R1.893 NC(=O)COc1cc(ccc1F)N 34a_100012017398_100000187820 [1,1,0,0,0,0|2,0,0]=4 4428 B13R1.893 NC(=O)COc1cc(ccc1F)N 7a_100012017398_100000187820 [1,1,0,0,0,0|2,0,0]=4 4429 B13R1.893 NC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000187820 [1,1,0,0,0,0|2,0,0]=4 4430 B13R1.893 NC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000187820 [1,1,0,0,0,0|2,0,0]=4 4431 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000187820 [1,1,0,0,0,0|2,0,0]=4 4432 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000187820 [1,1,0,0,0,0|2,0,0]=4 4433 B13R1.893 NC(=O)COc1cc(ccc1I)F 34a_100010084537_100000187820 [1,1,0,0,0,0|2,0,0]=4 4434 B13R1.893 NC(=O)COc1cc(ccc1I)F 7a_100010084537_100000187820 [1,1,0,0,0,0|2,0,0]=4 4435 B13R1.893 NC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000187820 [1,1,0,0,0,0|2,0,0]=4 4436 B13R1.893 NC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000187820 [1,1,0,0,0,0|2,0,0]=4 4437 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000187820 [1,1,0,0,0,0|2,0,0]=4 4438 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000187820 [1,1,0,0,0,0|2,0,0]=4 4439 B13R1.893 NC(=O)COc1cc(ccc1N)F 34a_100000753323_100000187820 [1,1,0,0,0,0|2,0,0]=4 4440 B13R1.893 NC(=O)COc1cc(ccc1N)F 7a_100000753323_100000187820 [1,1,0,0,0,0|2,0,0]=4 4441 B13R1.893 NC(=O)COc1cc(ccc1N)I 34a_100000057187_100000187820 [1,1,0,0,0,0|2,0,0]=4 4442 B13R1.893 NC(=O)COc1cc(ccc1N)I 7a_100000057187_100000187820 [1,1,0,0,0,0|2,0,0]=4 4443 B13R1.893 NC(=O)COc1cc(ccc1N)N 34a_100025717382_100000187820 [1,1,0,0,0,0|2,0,0]=4 4444 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011934209_100020667443 [1,1,0,0,0,0|1,0,1]=4 4445 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])F 34a_100012017398_100020667443 [1,1,0,0,0,0|1,0,1]=4 4446 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])N 34a_100025717382_100020667443 [1,1,0,0,0,0|1,0,1]=4 4447 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Br 34a_100000739049_100020667443 [1,1,0,0,0,0|1,0,1]=4 4448 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Cl 34a_100000185728_100020667443 [1,1,0,0,0,0|1,0,1]=4 4449 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])F 34a_100000753323_100020667443 [1,1,0,0,0,0|1,0,1]=4 4450 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])I 34a_100000057187_100020667443 [1,1,0,0,0,0|1,0,1]=4 4451 B13R1.893 O=C([O-])COc1cc(ccc1Br)Br 34a_100011220040_100020667443 [1,1,0,0,0,0|1,0,1]=4 4452 B13R1.893 O=C([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100020667443 [1,1,0,0,0,0|1,0,1]=4 4453 B13R1.893 O=C([O-])COc1cc(ccc1Br)F 34a_100000690578_100020667443 [1,1,0,0,0,0|1,0,1]=4 4454 B13R1.893 O=C([O-])COc1cc(ccc1Br)I 34a_100012356990_100020667443 [1,1,0,0,0,0|1,0,1]=4 4455 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100020667443 [1,1,0,0,0,0|1,0,1]=4 4456 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100020667443 [1,1,0,0,0,0|1,0,1]=4 4457 B13R1.893 O=C([O-])COc1cc(ccc1Cl)F 34a_100000692107_100020667443 [1,1,0,0,0,0|1,0,1]=4 4458 B13R1.893 O=C([O-])COc1cc(ccc1Cl)I 34a_100011356854_100020667443 [1,1,0,0,0,0|1,0,1]=4 4459 B13R1.893 O=C([O-])COc1cc(ccc1F)Br 34a_100000686035_100020667443 [1,1,0,0,0,0|1,0,1]=4 4460 B13R1.893 O=C([O-])COc1cc(ccc1F)Cl 34a_100000757397_100020667443 [1,1,0,0,0,0|1,0,1]=4 4461 B13R1.893 O=C([O-])COc1cc(ccc1F)F 34a_100000752141_100020667443 [1,1,0,0,0,0|1,0,1]=4 4462 B13R1.893 O=C([O-])COc1cc(ccc1F)I 34a_100009958187_100020667443 [1,1,0,0,0,0|1,0,1]=4 4463 B13R1.893 O=C([O-])COc1cc(ccc1I)Br 34a_100012344904_100020667443 [1,1,0,0,0,0|1,0,1]=4 4464 B13R1.893 O=C([O-])COc1cc(ccc1I)Cl 34a_100000050036_100020667443 [1,1,0,0,0,0|1,0,1]=4 4465 B13R1.893 O=C([O-])COc1cc(ccc1I)F 34a_100010084537_100020667443 [1,1,0,0,0,0|1,0,1]=4 4466 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [1,1,0,0,0,0|2,0,0]=4 4467 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [1,1,0,0,0,0|2,0,0]=4 4468 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [1,1,0,0,0,0|2,0,0]=4 4469 B13R1.1601 C#CCOc1c(cc(cc1C)Br)C 34a_100000187306_100000184674 [1,1,0,0,0,0|1,0,1]=4 4470 B13R1.1601 C#CCOc1c(cc(cc1C)Br)C 7a_100000187306_100000038162 [1,1,0,0,0,0|1,0,1]=4 4471 B13R1.1601 C#CCOc1c(cc(cc1C)C)C 34a_100000212074_100000184674 [1,1,0,0,0,0|1,0,1]=4 4472 B13R1.1601 C#CCOc1c(cc(cc1C)C)C 7a_100000212074_100000038162 [1,1,0,0,0,0|1,0,1]=4 4473 B13R1.1601 C#CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100000184674 [1,1,0,0,0,0|1,0,1]=4 4474 B13R1.1601 C#CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000038162 [1,1,0,0,0,0|1,0,1]=4 4475 B13R1.1601 C#CCOc1c(cc(cc1C)F)C 34a_100000081862_100000184674 [1,1,0,0,0,0|1,0,1]=4 4476 B13R1.1601 C#CCOc1c(cc(cc1C)F)C 7a_100000081862_100000038162 [1,1,0,0,0,0|1,0,1]=4 4477 B13R1.1601 C#CCOc1c(cc(cc1C)I)C 34a_100011216129_100000184674 [1,1,0,0,0,0|1,0,1]=4 4478 B13R1.1601 C#CCOc1c(cc(cc1C)I)C 7a_100011216129_100000038162 [1,1,0,0,0,0|1,0,1]=4 4479 B13R1.1601 C#CCOc1c(cc(cc1C)N)C 34a_100000703291_100000184674 [1,1,0,0,0,0|1,0,1]=4 4480 B13R1.1601 C#CCOc1c(cc(cc1C)N)C 7a_100000703291_100000038162 [1,1,0,0,0,0|1,0,1]=4 4481 B13R1.1601 C=CCNc1c(cc(cc1C)Br)C 34a_100000737279_100015514636 [1,1,0,0,0,0|2,0,0]=4 4482 B13R1.1601 C=CCNc1c(cc(cc1C)Br)C 7a_100000737279_100015514636 [1,1,0,0,0,0|2,0,0]=4 4483 B13R1.1601 C=CCNc1c(cc(cc1C)C)C 34a_100000210045_100015514636 [1,1,0,0,0,0|2,0,0]=4 4484 B13R1.1601 C=CCNc1c(cc(cc1C)C)C 7a_100000210045_100015514636 [1,1,0,0,0,0|2,0,0]=4 4485 B13R1.1601 C=CCNc1c(cc(cc1C)Cl)C 34a_100000692879_100015514636 [1,1,0,0,0,0|2,0,0]=4 4486 B13R1.1601 C=CCNc1c(cc(cc1C)Cl)C 7a_100000692879_100015514636 [1,1,0,0,0,0|2,0,0]=4 4487 B13R1.1601 C=CCNc1c(cc(cc1C)F)C 34a_100011290887_100015514636 [1,1,0,0,0,0|2,0,0]=4 4488 B13R1.1601 C=CCNc1c(cc(cc1C)F)C 7a_100011290887_100015514636 [1,1,0,0,0,0|2,0,0]=4 4489 B13R1.1601 C=CCNc1c(cc(cc1C)I)C 7a_100011356821_100015514636 [1,1,0,0,0,0|2,0,0]=4 4490 B13R1.1601 C=CCNc1c(cc(cc1C)O)C 34a_100011934200_100015514636 [1,1,0,0,0,0|2,0,0]=4 4491 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)C 34a_100000186369_100015514636 [1,1,0,0,0,0|2,0,0]=4 4492 B13R1.1601 C=CCOc1c(cc(cc1Br)Br)C 7a_100000186369_100015514636 [1,1,0,0,0,0|2,0,0]=4 4493 B13R1.1601 C=CCOc1c(cc(cc1Br)C)C 34a_100011934984_100015514636 [1,1,0,0,0,0|2,0,0]=4 4494 B13R1.1601 C=CCOc1c(cc(cc1Br)C)C 7a_100011934984_100015514636 [1,1,0,0,0,0|2,0,0]=4 4495 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100015514636 [1,1,0,0,0,0|2,0,0]=4 4496 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100015514636 [1,1,0,0,0,0|2,0,0]=4 4497 B13R1.1601 C=CCOc1c(cc(cc1Br)I)C 34a_100010982682_100015514636 [1,1,0,0,0,0|2,0,0]=4 4498 B13R1.1601 C=CCOc1c(cc(cc1Br)I)C 7a_100010982682_100015514636 [1,1,0,0,0,0|2,0,0]=4 4499 B13R1.1601 C=CCOc1c(cc(cc1Br)N)C 34a_100010064301_100015514636 [1,1,0,0,0,0|2,0,0]=4 4500 B13R1.1601 C=CCOc1c(cc(cc1Br)N)C 7a_100010064301_100015514636 [1,1,0,0,0,0|2,0,0]=4 4501 B13R1.1601 C=CCOc1c(cc(cc1C)Br)C 34a_100000187306_100015514636 [1,1,0,0,0,0|1,0,0]=3 4502 B13R1.1601 C=CCOc1c(cc(cc1C)Br)C 7a_100000187306_100015514636 [1,1,0,0,0,0|1,0,0]=3 4503 B13R1.1601 C=CCOc1c(cc(cc1C)C)C 34a_100000212074_100015514636 [1,1,0,0,0,0|1,0,0]=3 4504 B13R1.1601 C=CCOc1c(cc(cc1C)C)C 7a_100000212074_100015514636 [1,1,0,0,0,0|1,0,0]=3 4505 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100015514636 [1,1,0,0,0,0|1,0,0]=3 4506 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100015514636 [1,1,0,0,0,0|1,0,0]=3 4507 B13R1.1601 C=CCOc1c(cc(cc1C)F)C 34a_100000081862_100015514636 [1,1,0,0,0,0|1,0,0]=3 4508 B13R1.1601 C=CCOc1c(cc(cc1C)F)C 7a_100000081862_100015514636 [1,1,0,0,0,0|1,0,0]=3 4509 B13R1.1601 C=CCOc1c(cc(cc1C)I)C 34a_100011216129_100015514636 [1,1,0,0,0,0|1,0,0]=3 4510 B13R1.1601 C=CCOc1c(cc(cc1C)I)C 7a_100011216129_100015514636 [1,1,0,0,0,0|1,0,0]=3 4511 B13R1.1601 C=CCOc1c(cc(cc1C)N)C 34a_100000703291_100015514636 [1,1,0,0,0,0|1,0,0]=3 4512 B13R1.1601 C=CCOc1c(cc(cc1C)N)C 7a_100000703291_100015514636 [1,1,0,0,0,0|1,0,0]=3 4513 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100015514636 [1,1,0,0,0,0|2,0,0]=4 4514 B13R1.1601 C=CCOc1c(cc(cc1Cl)Br)C 7a_100000211485_100015514636 [1,1,0,0,0,0|2,0,0]=4 4515 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100015514636 [1,1,0,0,0,0|2,0,0]=4 4516 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100015514636 [1,1,0,0,0,0|2,0,0]=4 4517 B13R1.1601 C=CCOc1c(cc(cc1Cl)I)C 34a_200015900153_100015514636 [1,1,0,0,0,0|2,0,0]=4 4518 B13R1.1601 C=CCOc1c(cc(cc1Cl)I)C 7a_200015900153_100015514636 [1,1,0,0,0,0|2,0,0]=4 4519 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 34a_100012343667_100015514636 [1,1,0,0,0,0|2,0,0]=4 4520 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 7a_100012343667_100015514636 [1,1,0,0,0,0|2,0,0]=4 4521 B13R1.1601 C=CCOc1c(cc(cc1N)Br)C 34a_100011825904_100015514636 [1,1,0,0,0,0|2,0,0]=4 4522 B13R1.1601 C=CCOc1c(cc(cc1N)Br)C 7a_100011825904_100015514636 [1,1,0,0,0,0|2,0,0]=4 4523 B13R1.1601 C=CCOc1c(cc(cc1N)C)C 34a_100011216242_100015514636 [1,1,0,0,0,0|2,0,0]=4 4524 B13R1.1601 C=CCOc1c(cc(cc1N)C)C 7a_100011216242_100015514636 [1,1,0,0,0,0|2,0,0]=4 4525 B13R1.1601 C=CCOc1c(cc(cc1N)F)C 34a_100000130126_100015514636 [1,1,0,0,0,0|2,0,0]=4 4526 B13R1.1601 C=CCOc1c(cc(cc1N)F)C 7a_100000130126_100015514636 [1,1,0,0,0,0|2,0,0]=4 4527 B13R1.1601 C=CCSc1c(cc(cc1C)Br)C 62a_100000210623_100009814048 [1,1,0,0,0,0|1,1,0]=4 4528 B13R1.1601 C=CCSc1c(cc(cc1C)Br)C 62a_100009814048_100000210623 [1,1,0,0,0,0|1,1,0]=4 4529 B13R1.1601 C=CCSc1c(cc(cc1C)C)C 62a_100000210623_100011204320 [1,1,0,0,0,0|1,1,0]=4 4530 B13R1.1601 C=CCSc1c(cc(cc1C)C)C 62a_100011204320_100000210623 [1,1,0,0,0,0|1,1,0]=4 4531 B13R1.1601 C=CCSc1c(cc(cc1C)Cl)C 62a_100000210623_100010244930 [1,1,0,0,0,0|1,1,0]=4 4532 B13R1.1601 C=CCSc1c(cc(cc1C)Cl)C 62a_100010244930_100000210623 [1,1,0,0,0,0|1,1,0]=4 4533 B13R1.1601 C=CCSc1c(cc(cc1C)F)C 62a_100000210623_100012356666 [1,1,0,0,0,0|1,1,0]=4 4534 B13R1.1601 C=CCSc1c(cc(cc1C)F)C 62a_100012356666_100000210623 [1,1,0,0,0,0|1,1,0]=4 4535 B13R1.1601 C=CCSc1c(cc(cc1C)N)C 62a_100000210623_100000215964 [1,1,0,0,0,0|1,1,0]=4 4536 B13R1.1601 C=CCSc1c(cc(cc1C)N)C 62a_100000215964_100000210623 [1,1,0,0,0,0|1,1,0]=4 4537 B13R1.1601 C=CCSc1c(cc(cc1C)O)C 62a_100000210623_100000243743 [1,1,0,0,0,0|1,1,0]=4 4538 B13R1.1601 C=CCSc1c(cc(cc1C)O)C 62a_100000243743_100000210623 [1,1,0,0,0,0|1,1,0]=4 4539 B13R1.1601 CCCOc1c(cc(cc1C)Br)C 34a_100000187306_100000210303 [1,1,0,0,0,0|1,0,1]=4 4540 B13R1.1601 CCCOc1c(cc(cc1C)Br)C 7a_100000187306_100000210303 [1,1,0,0,0,0|1,0,1]=4 4541 B13R1.1601 CCCOc1c(cc(cc1C)C)C 34a_100000212074_100000210303 [1,1,0,0,0,0|1,0,1]=4 4542 B13R1.1601 CCCOc1c(cc(cc1C)C)C 7a_100000212074_100000210303 [1,1,0,0,0,0|1,0,1]=4 4543 B13R1.1601 CCCOc1c(cc(cc1C)Cl)C 34a_100000211519_100000210303 [1,1,0,0,0,0|1,0,1]=4 4544 B13R1.1601 CCCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000210303 [1,1,0,0,0,0|1,0,1]=4 4545 B13R1.1601 CCCOc1c(cc(cc1C)F)C 34a_100000081862_100000210303 [1,1,0,0,0,0|1,0,1]=4 4546 B13R1.1601 CCCOc1c(cc(cc1C)F)C 7a_100000081862_100000210303 [1,1,0,0,0,0|1,0,1]=4 4547 B13R1.1601 CCCOc1c(cc(cc1C)I)C 34a_100011216129_100000210303 [1,1,0,0,0,0|1,0,1]=4 4548 B13R1.1601 CCCOc1c(cc(cc1C)I)C 7a_100011216129_100000210303 [1,1,0,0,0,0|1,0,1]=4 4549 B13R1.1601 CCCOc1c(cc(cc1C)N)C 34a_100000703291_100000210303 [1,1,0,0,0,0|1,0,1]=4 4550 B13R1.1601 CCCOc1c(cc(cc1C)N)C 7a_100000703291_100000210303 [1,1,0,0,0,0|1,0,1]=4 4551 B13R1.1601 CSCOc1c(cc(cc1C)Br)C 34a_100000187306_100011218213 [1,1,0,0,0,0|2,0,0]=4 4552 B13R1.1601 CSCOc1c(cc(cc1C)C)C 34a_100000212074_100011218213 [1,1,0,0,0,0|2,0,0]=4 4553 B13R1.1601 CSCOc1c(cc(cc1C)Cl)C 34a_100000211519_100011218213 [1,1,0,0,0,0|2,0,0]=4 4554 B13R1.1601 CSCOc1c(cc(cc1C)F)C 34a_100000081862_100011218213 [1,1,0,0,0,0|2,0,0]=4 4555 B13R1.1601 CSCOc1c(cc(cc1C)I)C 34a_100011216129_100011218213 [1,1,0,0,0,0|2,0,0]=4 4556 B13R1.1601 CSCOc1c(cc(cc1C)N)C 34a_100000703291_100011218213 [1,1,0,0,0,0|2,0,0]=4 4557 B13R1.1601 Cc1cc(c(c(c1)Br)NCC=O)C 34a_100000688863_200009817547 [1,1,0,0,0,0|2,0,0]=4 4558 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)Br 34a_100000203795_200009817547 [1,1,0,0,0,0|2,0,0]=4 4559 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)Br 7a_100000203795_200015260668 [1,1,0,0,0,0|2,0,0]=4 4560 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)C 34a_100011934984_200009817547 [1,1,0,0,0,0|1,0,0]=3 4561 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)C 7a_100011934984_200015260668 [1,1,0,0,0,0|1,0,0]=3 4562 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)F 34a_200010713133_200009817547 [1,1,0,0,0,0|2,0,0]=4 4563 B13R1.1601 Cc1cc(c(c(c1)Br)OCC=O)F 7a_200010713133_200015260668 [1,1,0,0,0,0|2,0,0]=4 4564 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)C 34a_100011934984_100000211926 [1,1,0,0,0,0|1,0,1]=4 4565 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)C 7a_100011934984_100000211926 [1,1,0,0,0,0|1,0,1]=4 4566 B13R1.1601 Cc1cc(c(c(c1)Br)SCC=O)C 62a_200012353697_200015260668 [1,1,0,0,0,0|1,1,0]=4 4567 B13R1.1601 Cc1cc(c(c(c1)Br)SCC=O)C 62a_200015260668_200012353697 [1,1,0,0,0,0|1,1,0]=4 4568 B13R1.1601 Cc1cc(c(c(c1)C)NCC=O)C 34a_100000210045_200009817547 [1,1,0,0,0,0|1,0,0]=3 4569 B13R1.1601 Cc1cc(c(c(c1)C)NCC=O)C 7a_100000210045_200015260668 [1,1,0,0,0,0|1,0,0]=3 4570 B13R1.1601 Cc1cc(c(c(c1)C)NCCO)C 34a_100000210045_100000211926 [1,1,0,0,0,0|1,0,1]=4 4571 B13R1.1601 Cc1cc(c(c(c1)C)NCCO)C 7a_100000210045_100000211926 [1,1,0,0,0,0|1,0,1]=4 4572 B13R1.1601 Cc1cc(c(c(c1)C)OCC#N)C 7a_100000212074_100011215382 [1,1,0,0,0,0|1,0,1]=4 4573 B13R1.1601 Cc1cc(c(c(c1)C)OCC=O)C 34a_100000212074_200009817547 [1,1,0,0,0,0|0,0,0]=2 4574 B13R1.1601 Cc1cc(c(c(c1)C)OCC=O)C 7a_100000212074_200015260668 [1,1,0,0,0,0|0,0,0]=2 4575 B13R1.1601 Cc1cc(c(c(c1)C)OCCF)C 34a_100000212074_100011217306 [1,1,0,0,0,0|1,0,1]=4 4576 B13R1.1601 Cc1cc(c(c(c1)C)OCCF)C 7a_100000212074_100011217306 [1,1,0,0,0,0|1,0,1]=4 4577 B13R1.1601 Cc1cc(c(c(c1)C)OCCO)C 34a_100000212074_100000211926 [1,1,0,0,0,0|0,0,1]=3 4578 B13R1.1601 Cc1cc(c(c(c1)C)OCCO)C 7a_100000212074_100000211926 [1,1,0,0,0,0|0,0,1]=3 4579 B13R1.1601 Cc1cc(c(c(c1)C)SCC=O)C 62a_100011204320_200015260668 [1,1,0,0,0,0|0,1,0]=3 4580 B13R1.1601 Cc1cc(c(c(c1)C)SCC=O)C 62a_200015260668_100011204320 [1,1,0,0,0,0|0,1,0]=3 4581 B13R1.1601 Cc1cc(c(c(c1)C)SCCO)C 62a_100000211926_100011204320 [1,1,0,0,0,0|0,1,1]=4 4582 B13R1.1601 Cc1cc(c(c(c1)C)SCCO)C 62a_100011204320_100000211926 [1,1,0,0,0,0|0,1,1]=4 4583 B13R1.1601 Cc1cc(c(c(c1)Cl)NCC=O)C 34a_100000211461_200009817547 [1,1,0,0,0,0|2,0,0]=4 4584 B13R1.1601 Cc1cc(c(c(c1)Cl)NCC=O)C 7a_100000211461_200015260668 [1,1,0,0,0,0|2,0,0]=4 4585 B13R1.1601 Cc1cc(c(c(c1)Cl)OCC=O)Cl 34a_100000034925_200009817547 [1,1,0,0,0,0|2,0,0]=4 4586 B13R1.1601 Cc1cc(c(c(c1)Cl)OCC=O)Cl 7a_100000034925_200015260668 [1,1,0,0,0,0|2,0,0]=4 4587 B13R1.1601 Cc1cc(c(c(c1)I)OCC=O)F 34a_200135191068_200009817547 [1,1,0,0,0,0|2,0,0]=4 4588 B13R1.1601 Cc1cc(c(c(c1)I)OCC=O)F 7a_200135191068_200015260668 [1,1,0,0,0,0|2,0,0]=4 4589 B13R1.1601 Cc1cc(c(c(c1)N)OCC=O)C 34a_100011216242_200009817547 [1,1,0,0,0,0|1,0,0]=3 4590 B13R1.1601 Cc1cc(c(c(c1)N)OCC=O)C 7a_100011216242_200015260668 [1,1,0,0,0,0|1,0,0]=3 4591 B13R1.1601 Cc1cc(c(c(c1)N)OCCO)C 34a_100011216242_100000211926 [1,1,0,0,0,0|1,0,1]=4 4592 B13R1.1601 Cc1cc(c(c(c1)N)OCCO)C 7a_100011216242_100000211926 [1,1,0,0,0,0|1,0,1]=4 4593 B13R1.1601 Cc1cc(c(c(c1)O)SCC=O)C 62a_100010342985_200015260668 [1,1,0,0,0,0|1,1,0]=4 4594 B13R1.1601 Cc1cc(c(c(c1)O)SCC=O)C 62a_200015260668_100010342985 [1,1,0,0,0,0|1,1,0]=4 4595 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)Br 34a_100012047207_200009817547 [1,1,0,0,0,0|2,0,0]=4 4596 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)Br 7a_100012047207_200015260668 [1,1,0,0,0,0|2,0,0]=4 4597 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)Cl 34a_100012353696_200009817547 [1,1,0,0,0,0|2,0,0]=4 4598 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)Cl 7a_100012353696_200015260668 [1,1,0,0,0,0|2,0,0]=4 4599 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)F 34a_100011216670_200009817547 [1,1,0,0,0,0|2,0,0]=4 4600 B13R1.1601 Cc1cc(cc(c1NCC=O)Br)F 7a_100011216670_200015260668 [1,1,0,0,0,0|2,0,0]=4 4601 B13R1.1601 Cc1cc(cc(c1NCC=O)C)Br 34a_100000737279_200009817547 [1,1,0,0,0,0|1,0,0]=3 4602 B13R1.1601 Cc1cc(cc(c1NCC=O)C)Br 7a_100000737279_200015260668 [1,1,0,0,0,0|1,0,0]=3 4603 B13R1.1601 Cc1cc(cc(c1NCC=O)C)Cl 34a_100000692879_200009817547 [1,1,0,0,0,0|1,0,0]=3 4604 B13R1.1601 Cc1cc(cc(c1NCC=O)C)Cl 7a_100000692879_200015260668 [1,1,0,0,0,0|1,0,0]=3 4605 B13R1.1601 Cc1cc(cc(c1NCC=O)C)F 34a_100011290887_200009817547 [1,1,0,0,0,0|1,0,0]=3 4606 B13R1.1601 Cc1cc(cc(c1NCC=O)C)F 7a_100011290887_200015260668 [1,1,0,0,0,0|1,0,0]=3 4607 B13R1.1601 Cc1cc(cc(c1NCC=O)C)I 7a_100011356821_200015260668 [1,1,0,0,0,0|1,0,0]=3 4608 B13R1.1601 Cc1cc(cc(c1NCC=O)C)O 34a_100011934200_200009817547 [1,1,0,0,0,0|1,0,0]=3 4609 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)Br 34a_100000741131_200009817547 [1,1,0,0,0,0|2,0,0]=4 4610 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)Br 7a_100000741131_200015260668 [1,1,0,0,0,0|2,0,0]=4 4611 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)Cl 34a_100011215104_200009817547 [1,1,0,0,0,0|2,0,0]=4 4612 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)Cl 7a_100011215104_200015260668 [1,1,0,0,0,0|2,0,0]=4 4613 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)F 34a_100000725997_200009817547 [1,1,0,0,0,0|2,0,0]=4 4614 B13R1.1601 Cc1cc(cc(c1NCC=O)Cl)F 7a_100000725997_200015260668 [1,1,0,0,0,0|2,0,0]=4 4615 B13R1.1601 Cc1cc(cc(c1NCC=O)F)Br 34a_100000709789_200009817547 [1,1,0,0,0,0|2,0,0]=4 4616 B13R1.1601 Cc1cc(cc(c1NCC=O)F)Br 7a_100000709789_200015260668 [1,1,0,0,0,0|2,0,0]=4 4617 B13R1.1601 Cc1cc(cc(c1NCC=O)F)Cl 34a_100012017672_200009817547 [1,1,0,0,0,0|2,0,0]=4 4618 B13R1.1601 Cc1cc(cc(c1NCC=O)F)Cl 7a_100012017672_200015260668 [1,1,0,0,0,0|2,0,0]=4 4619 B13R1.1601 Cc1cc(cc(c1NCC=O)I)Br 7a_200000690823_200015260668 [1,1,0,0,0,0|2,0,0]=4 4620 B13R1.1601 Cc1cc(cc(c1NCC=O)I)Cl 7a_100012344046_200015260668 [1,1,0,0,0,0|2,0,0]=4 4621 B13R1.1601 Cc1cc(cc(c1NCC=O)O)Br 34a_100010371313_200009817547 [1,1,0,0,0,0|2,0,0]=4 4622 B13R1.1601 Cc1cc(cc(c1NCC=O)O)Br 7a_100010371313_200015260668 [1,1,0,0,0,0|2,0,0]=4 4623 B13R1.1601 Cc1cc(cc(c1NCCO)C)Br 34a_100000737279_100000211926 [1,1,0,0,0,0|1,0,1]=4 4624 B13R1.1601 Cc1cc(cc(c1NCCO)C)Br 7a_100000737279_100000211926 [1,1,0,0,0,0|1,0,1]=4 4625 B13R1.1601 Cc1cc(cc(c1NCCO)C)Cl 34a_100000692879_100000211926 [1,1,0,0,0,0|1,0,1]=4 4626 B13R1.1601 Cc1cc(cc(c1NCCO)C)Cl 7a_100000692879_100000211926 [1,1,0,0,0,0|1,0,1]=4 4627 B13R1.1601 Cc1cc(cc(c1NCCO)C)F 34a_100011290887_100000211926 [1,1,0,0,0,0|1,0,1]=4 4628 B13R1.1601 Cc1cc(cc(c1NCCO)C)F 7a_100011290887_100000211926 [1,1,0,0,0,0|1,0,1]=4 4629 B13R1.1601 Cc1cc(cc(c1NCCO)C)I 7a_100011356821_100000211926 [1,1,0,0,0,0|1,0,1]=4 4630 B13R1.1601 Cc1cc(cc(c1NCCO)C)O 34a_100011934200_100000211926 [1,1,0,0,0,0|1,0,1]=4 4631 B13R1.1601 Cc1cc(cc(c1OCC#N)C)Br 7a_100000187306_100011215382 [1,1,0,0,0,0|1,0,1]=4 4632 B13R1.1601 Cc1cc(cc(c1OCC#N)C)Cl 7a_100000211519_100011215382 [1,1,0,0,0,0|1,0,1]=4 4633 B13R1.1601 Cc1cc(cc(c1OCC#N)C)F 7a_100000081862_100011215382 [1,1,0,0,0,0|1,0,1]=4 4634 B13R1.1601 Cc1cc(cc(c1OCC#N)C)I 7a_100011216129_100011215382 [1,1,0,0,0,0|1,0,1]=4 4635 B13R1.1601 Cc1cc(cc(c1OCC#N)C)N 7a_100000703291_100011215382 [1,1,0,0,0,0|1,0,1]=4 4636 B13R1.1601 Cc1cc(cc(c1OCC#N)C)O 271570a_203496583355_200010214319 [1,1,0,0,0,0|1,0,1]=4 4637 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Br 34a_100000186369_200009817547 [1,1,0,0,0,0|1,0,0]=3 4638 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Br 7a_100000186369_200015260668 [1,1,0,0,0,0|1,0,0]=3 4639 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 34a_100012337756_200009817547 [1,1,0,0,0,0|1,0,0]=3 4640 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 7a_100012337756_200015260668 [1,1,0,0,0,0|1,0,0]=3 4641 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)I 34a_100010982682_200009817547 [1,1,0,0,0,0|1,0,0]=3 4642 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)I 7a_100010982682_200015260668 [1,1,0,0,0,0|1,0,0]=3 4643 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)N 34a_100010064301_200009817547 [1,1,0,0,0,0|1,0,0]=3 4644 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)N 7a_100010064301_200015260668 [1,1,0,0,0,0|1,0,0]=3 4645 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Br 34a_100000187306_200009817547 [1,1,0,0,0,0|0,0,0]=2 4646 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Br 7a_100000187306_200015260668 [1,1,0,0,0,0|0,0,0]=2 4647 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 34a_100000211519_200009817547 [1,1,0,0,0,0|0,0,0]=2 4648 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 7a_100000211519_200015260668 [1,1,0,0,0,0|0,0,0]=2 4649 B13R1.1601 Cc1cc(cc(c1OCC=O)C)F 34a_100000081862_200009817547 [1,1,0,0,0,0|0,0,0]=2 4650 B13R1.1601 Cc1cc(cc(c1OCC=O)C)F 7a_100000081862_200015260668 [1,1,0,0,0,0|0,0,0]=2 4651 B13R1.1601 Cc1cc(cc(c1OCC=O)C)I 34a_100011216129_200009817547 [1,1,0,0,0,0|0,0,0]=2 4652 B13R1.1601 Cc1cc(cc(c1OCC=O)C)I 7a_100011216129_200015260668 [1,1,0,0,0,0|0,0,0]=2 4653 B13R1.1601 Cc1cc(cc(c1OCC=O)C)N 34a_100000703291_200009817547 [1,1,0,0,0,0|0,0,0]=2 4654 B13R1.1601 Cc1cc(cc(c1OCC=O)C)N 7a_100000703291_200015260668 [1,1,0,0,0,0|0,0,0]=2 4655 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Br 34a_100000211485_200009817547 [1,1,0,0,0,0|1,0,0]=3 4656 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Br 7a_100000211485_200015260668 [1,1,0,0,0,0|1,0,0]=3 4657 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 34a_100011218458_200009817547 [1,1,0,0,0,0|1,0,0]=3 4658 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 7a_100011218458_200015260668 [1,1,0,0,0,0|1,0,0]=3 4659 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)I 34a_200015900153_200009817547 [1,1,0,0,0,0|1,0,0]=3 4660 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)I 7a_200015900153_200015260668 [1,1,0,0,0,0|1,0,0]=3 4661 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 34a_100012343667_200009817547 [1,1,0,0,0,0|1,0,0]=3 4662 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 7a_100012343667_200015260668 [1,1,0,0,0,0|1,0,0]=3 4663 B13R1.1601 Cc1cc(cc(c1OCC=O)N)Br 34a_100011825904_200009817547 [1,1,0,0,0,0|1,0,0]=3 4664 B13R1.1601 Cc1cc(cc(c1OCC=O)N)Br 7a_100011825904_200015260668 [1,1,0,0,0,0|1,0,0]=3 4665 B13R1.1601 Cc1cc(cc(c1OCC=O)N)F 34a_100000130126_200009817547 [1,1,0,0,0,0|1,0,0]=3 4666 B13R1.1601 Cc1cc(cc(c1OCC=O)N)F 7a_100000130126_200015260668 [1,1,0,0,0,0|1,0,0]=3 4667 B13R1.1601 Cc1cc(cc(c1OCCF)C)Br 34a_100000187306_100011217306 [1,1,0,0,0,0|1,0,1]=4 4668 B13R1.1601 Cc1cc(cc(c1OCCF)C)Br 7a_100000187306_100011217306 [1,1,0,0,0,0|1,0,1]=4 4669 B13R1.1601 Cc1cc(cc(c1OCCF)C)Cl 34a_100000211519_100011217306 [1,1,0,0,0,0|1,0,1]=4 4670 B13R1.1601 Cc1cc(cc(c1OCCF)C)Cl 7a_100000211519_100011217306 [1,1,0,0,0,0|1,0,1]=4 4671 B13R1.1601 Cc1cc(cc(c1OCCF)C)F 34a_100000081862_100011217306 [1,1,0,0,0,0|1,0,1]=4 4672 B13R1.1601 Cc1cc(cc(c1OCCF)C)F 7a_100000081862_100011217306 [1,1,0,0,0,0|1,0,1]=4 4673 B13R1.1601 Cc1cc(cc(c1OCCF)C)I 34a_100011216129_100011217306 [1,1,0,0,0,0|1,0,1]=4 4674 B13R1.1601 Cc1cc(cc(c1OCCF)C)I 7a_100011216129_100011217306 [1,1,0,0,0,0|1,0,1]=4 4675 B13R1.1601 Cc1cc(cc(c1OCCF)C)N 34a_100000703291_100011217306 [1,1,0,0,0,0|1,0,1]=4 4676 B13R1.1601 Cc1cc(cc(c1OCCF)C)N 7a_100000703291_100011217306 [1,1,0,0,0,0|1,0,1]=4 4677 B13R1.1601 Cc1cc(cc(c1OCCN)C)O 271570a_203496583355_100025753799 [1,1,0,0,0,0|1,0,1]=4 4678 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Br 34a_100000186369_100000211926 [1,1,0,0,0,0|1,0,1]=4 4679 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Br 7a_100000186369_100000211926 [1,1,0,0,0,0|1,0,1]=4 4680 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Cl 34a_100012337756_100000211926 [1,1,0,0,0,0|1,0,1]=4 4681 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Cl 7a_100012337756_100000211926 [1,1,0,0,0,0|1,0,1]=4 4682 B13R1.1601 Cc1cc(cc(c1OCCO)Br)I 34a_100010982682_100000211926 [1,1,0,0,0,0|1,0,1]=4 4683 B13R1.1601 Cc1cc(cc(c1OCCO)Br)I 7a_100010982682_100000211926 [1,1,0,0,0,0|1,0,1]=4 4684 B13R1.1601 Cc1cc(cc(c1OCCO)Br)N 34a_100010064301_100000211926 [1,1,0,0,0,0|1,0,1]=4 4685 B13R1.1601 Cc1cc(cc(c1OCCO)Br)N 7a_100010064301_100000211926 [1,1,0,0,0,0|1,0,1]=4 4686 B13R1.1601 Cc1cc(cc(c1OCCO)C)Br 34a_100000187306_100000211926 [1,1,0,0,0,0|0,0,1]=3 4687 B13R1.1601 Cc1cc(cc(c1OCCO)C)Br 7a_100000187306_100000211926 [1,1,0,0,0,0|0,0,1]=3 4688 B13R1.1601 Cc1cc(cc(c1OCCO)C)Cl 34a_100000211519_100000211926 [1,1,0,0,0,0|0,0,1]=3 4689 B13R1.1601 Cc1cc(cc(c1OCCO)C)Cl 7a_100000211519_100000211926 [1,1,0,0,0,0|0,0,1]=3 4690 B13R1.1601 Cc1cc(cc(c1OCCO)C)F 34a_100000081862_100000211926 [1,1,0,0,0,0|0,0,1]=3 4691 B13R1.1601 Cc1cc(cc(c1OCCO)C)F 7a_100000081862_100000211926 [1,1,0,0,0,0|0,0,1]=3 4692 B13R1.1601 Cc1cc(cc(c1OCCO)C)I 34a_100011216129_100000211926 [1,1,0,0,0,0|0,0,1]=3 4693 B13R1.1601 Cc1cc(cc(c1OCCO)C)I 7a_100011216129_100000211926 [1,1,0,0,0,0|0,0,1]=3 4694 B13R1.1601 Cc1cc(cc(c1OCCO)C)N 34a_100000703291_100000211926 [1,1,0,0,0,0|0,0,1]=3 4695 B13R1.1601 Cc1cc(cc(c1OCCO)C)N 7a_100000703291_100000211926 [1,1,0,0,0,0|0,0,1]=3 4696 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Br 34a_100000211485_100000211926 [1,1,0,0,0,0|1,0,1]=4 4697 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Br 7a_100000211485_100000211926 [1,1,0,0,0,0|1,0,1]=4 4698 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Cl 34a_100011218458_100000211926 [1,1,0,0,0,0|1,0,1]=4 4699 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Cl 7a_100011218458_100000211926 [1,1,0,0,0,0|1,0,1]=4 4700 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)I 34a_200015900153_100000211926 [1,1,0,0,0,0|1,0,1]=4 4701 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)I 7a_200015900153_100000211926 [1,1,0,0,0,0|1,0,1]=4 4702 B13R1.1601 Cc1cc(cc(c1OCCO)I)Cl 34a_100012343667_100000211926 [1,1,0,0,0,0|1,0,1]=4 4703 B13R1.1601 Cc1cc(cc(c1OCCO)I)Cl 7a_100012343667_100000211926 [1,1,0,0,0,0|1,0,1]=4 4704 B13R1.1601 Cc1cc(cc(c1OCCO)N)Br 34a_100011825904_100000211926 [1,1,0,0,0,0|1,0,1]=4 4705 B13R1.1601 Cc1cc(cc(c1OCCO)N)Br 7a_100011825904_100000211926 [1,1,0,0,0,0|1,0,1]=4 4706 B13R1.1601 Cc1cc(cc(c1OCCO)N)F 34a_100000130126_100000211926 [1,1,0,0,0,0|1,0,1]=4 4707 B13R1.1601 Cc1cc(cc(c1OCCO)N)F 7a_100000130126_100000211926 [1,1,0,0,0,0|1,0,1]=4 4708 B13R1.1601 Cc1cc(cc(c1SCC=O)Br)Br 62a_200010208242_200015260668 [1,1,0,0,0,0|1,1,0]=4 4709 B13R1.1601 Cc1cc(cc(c1SCC=O)Br)Br 62a_200015260668_200010208242 [1,1,0,0,0,0|1,1,0]=4 4710 B13R1.1601 Cc1cc(cc(c1SCC=O)Br)F 62a_100010208209_200015260668 [1,1,0,0,0,0|1,1,0]=4 4711 B13R1.1601 Cc1cc(cc(c1SCC=O)Br)F 62a_200015260668_100010208209 [1,1,0,0,0,0|1,1,0]=4 4712 B13R1.1601 Cc1cc(cc(c1SCC=O)C)Br 62a_100009814048_200015260668 [1,1,0,0,0,0|0,1,0]=3 4713 B13R1.1601 Cc1cc(cc(c1SCC=O)C)Br 62a_200015260668_100009814048 [1,1,0,0,0,0|0,1,0]=3 4714 B13R1.1601 Cc1cc(cc(c1SCC=O)C)Cl 62a_100010244930_200015260668 [1,1,0,0,0,0|0,1,0]=3 4715 B13R1.1601 Cc1cc(cc(c1SCC=O)C)Cl 62a_200015260668_100010244930 [1,1,0,0,0,0|0,1,0]=3 4716 B13R1.1601 Cc1cc(cc(c1SCC=O)C)F 62a_100012356666_200015260668 [1,1,0,0,0,0|0,1,0]=3 4717 B13R1.1601 Cc1cc(cc(c1SCC=O)C)F 62a_200015260668_100012356666 [1,1,0,0,0,0|0,1,0]=3 4718 B13R1.1601 Cc1cc(cc(c1SCC=O)C)N 62a_100000215964_200015260668 [1,1,0,0,0,0|0,1,0]=3 4719 B13R1.1601 Cc1cc(cc(c1SCC=O)C)N 62a_200015260668_100000215964 [1,1,0,0,0,0|0,1,0]=3 4720 B13R1.1601 Cc1cc(cc(c1SCC=O)C)O 62a_100000243743_200015260668 [1,1,0,0,0,0|0,1,0]=3 4721 B13R1.1601 Cc1cc(cc(c1SCC=O)C)O 62a_200015260668_100000243743 [1,1,0,0,0,0|0,1,0]=3 4722 B13R1.1601 Cc1cc(cc(c1SCC=O)Cl)Cl 62a_200000035511_200015260668 [1,1,0,0,0,0|1,1,0]=4 4723 B13R1.1601 Cc1cc(cc(c1SCC=O)Cl)Cl 62a_200015260668_200000035511 [1,1,0,0,0,0|1,1,0]=4 4724 B13R1.1601 Cc1cc(cc(c1SCC=O)Cl)F 62a_100010079234_200015260668 [1,1,0,0,0,0|1,1,0]=4 4725 B13R1.1601 Cc1cc(cc(c1SCC=O)Cl)F 62a_200015260668_100010079234 [1,1,0,0,0,0|1,1,0]=4 4726 B13R1.1601 Cc1cc(cc(c1SCC=O)F)F 62a_100015332101_200015260668 [1,1,0,0,0,0|1,1,0]=4 4727 B13R1.1601 Cc1cc(cc(c1SCC=O)F)F 62a_200015260668_100015332101 [1,1,0,0,0,0|1,1,0]=4 4728 B13R1.1601 Cc1cc(cc(c1SCC=O)F)N 62a_100010115923_200015260668 [1,1,0,0,0,0|1,1,0]=4 4729 B13R1.1601 Cc1cc(cc(c1SCC=O)F)N 62a_200015260668_100010115923 [1,1,0,0,0,0|1,1,0]=4 4730 B13R1.1601 Cc1cc(cc(c1SCC=O)N)Cl 62a_100000698757_200015260668 [1,1,0,0,0,0|1,1,0]=4 4731 B13R1.1601 Cc1cc(cc(c1SCC=O)N)Cl 62a_200015260668_100000698757 [1,1,0,0,0,0|1,1,0]=4 4732 B13R1.1601 Cc1cc(cc(c1SCC=O)O)Cl 62a_100010254216_200015260668 [1,1,0,0,0,0|1,1,0]=4 4733 B13R1.1601 Cc1cc(cc(c1SCC=O)O)Cl 62a_200015260668_100010254216 [1,1,0,0,0,0|1,1,0]=4 4734 B13R1.1601 Cc1cc(cc(c1SCCO)C)Br 62a_100000211926_100009814048 [1,1,0,0,0,0|0,1,1]=4 4735 B13R1.1601 Cc1cc(cc(c1SCCO)C)Br 62a_100009814048_100000211926 [1,1,0,0,0,0|0,1,1]=4 4736 B13R1.1601 Cc1cc(cc(c1SCCO)C)Cl 62a_100000211926_100010244930 [1,1,0,0,0,0|0,1,1]=4 4737 B13R1.1601 Cc1cc(cc(c1SCCO)C)Cl 62a_100010244930_100000211926 [1,1,0,0,0,0|0,1,1]=4 4738 B13R1.1601 Cc1cc(cc(c1SCCO)C)F 62a_100000211926_100012356666 [1,1,0,0,0,0|0,1,1]=4 4739 B13R1.1601 Cc1cc(cc(c1SCCO)C)F 62a_100012356666_100000211926 [1,1,0,0,0,0|0,1,1]=4 4740 B13R1.1601 Cc1cc(cc(c1SCCO)C)N 62a_100000211926_100000215964 [1,1,0,0,0,0|0,1,1]=4 4741 B13R1.1601 Cc1cc(cc(c1SCCO)C)N 62a_100000215964_100000211926 [1,1,0,0,0,0|0,1,1]=4 4742 B13R1.1601 Cc1cc(cc(c1SCCO)C)O 62a_100000211926_100000243743 [1,1,0,0,0,0|0,1,1]=4 4743 B13R1.1601 Cc1cc(cc(c1SCCO)C)O 62a_100000243743_100000211926 [1,1,0,0,0,0|0,1,1]=4 4744 B13R1.1601 Cc1cc(nc(c1SCC=O)C)N 62a_100000699364_200015260668 [1,1,0,0,0,0|1,1,0]=4 4745 B13R1.1601 Cc1cc(nc(c1SCC=O)C)N 62a_200015260668_100000699364 [1,1,0,0,0,0|1,1,0]=4 4746 B13R1.1601 Cc1nc(cc(c1OCC=O)Br)Br 34a_200010233669_200009817547 [1,1,0,0,0,0|2,0,0]=4 4747 B13R1.1601 Cc1nc(cc(c1OCC=O)Br)Br 7a_200010233669_200015260668 [1,1,0,0,0,0|2,0,0]=4 4748 B13R1.1601 Nc1cc(c(c(c1)Br)OCC=O)Br 34a_200000186426_200009817547 [1,1,0,0,0,0|2,0,0]=4 4749 B13R1.1601 Nc1cc(c(c(c1)Cl)OCC=O)Cl 34a_100000695418_200009817547 [1,1,0,0,0,0|2,0,0]=4 4750 B13R1.1601 Nc1cc(c(c(c1)Cl)OCC=O)Cl 7a_100000695418_200015260668 [1,1,0,0,0,0|2,0,0]=4 4751 B13R1.1601 Nc1cc(c(c(c1)F)OCC=O)F 34a_100016987357_200009817547 [1,1,0,0,0,0|2,0,0]=4 4752 B13R1.1601 Nc1cc(c(c(c1)F)OCC=O)F 7a_100016987357_200015260668 [1,1,0,0,0,0|2,0,0]=4 4753 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Br 34a_100010781877_200009817547 [1,1,0,0,0,0|2,0,0]=4 4754 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Br 7a_100010781877_200015260668 [1,1,0,0,0,0|2,0,0]=4 4755 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 34a_106741647128_200009817547 [1,1,0,0,0,0|2,0,0]=4 4756 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 7a_106741647128_200015260668 [1,1,0,0,0,0|2,0,0]=4 4757 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)F 34a_200011217456_200009817547 [1,1,0,0,0,0|2,0,0]=4 4758 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)F 7a_200011217456_200015260668 [1,1,0,0,0,0|2,0,0]=4 4759 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Br 34a_100000694353_200009817547 [1,1,0,0,0,0|2,0,0]=4 4760 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Br 7a_100000694353_200015260668 [1,1,0,0,0,0|2,0,0]=4 4761 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 34a_100000695819_200009817547 [1,1,0,0,0,0|2,0,0]=4 4762 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 7a_100000695819_200015260668 [1,1,0,0,0,0|2,0,0]=4 4763 B13R1.1601 Nc1cc(cc(c1OCC=O)F)Br 34a_100011217383_200009817547 [1,1,0,0,0,0|2,0,0]=4 4764 B13R1.1601 Nc1cc(cc(c1OCC=O)F)Br 7a_100011217383_200015260668 [1,1,0,0,0,0|2,0,0]=4 4765 B13R1.1601 Nc1cc(cc(c1OCC=O)F)F 34a_100015205836_200009817547 [1,1,0,0,0,0|2,0,0]=4 4766 B13R1.1601 Nc1cc(cc(c1OCC=O)F)F 7a_100015205836_200015260668 [1,1,0,0,0,0|2,0,0]=4 4767 B13R1.1601 Nc1cc(cc(c1OCC=O)I)Br 7a_100016071998_200015260668 [1,1,0,0,0,0|2,0,0]=4 4768 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Br 34a_100000210219_200009817547 [1,1,0,0,0,0|2,0,0]=4 4769 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Br 7a_100000210219_200015260668 [1,1,0,0,0,0|2,0,0]=4 4770 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_200009817547 [1,1,0,0,0,0|2,0,0]=4 4771 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_200015260668 [1,1,0,0,0,0|2,0,0]=4 4772 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)F 34a_100011216695_200009817547 [1,1,0,0,0,0|2,0,0]=4 4773 B13R1.1601 O=CCOc1c(cc(cc1Br)Br)F 7a_100011216695_200015260668 [1,1,0,0,0,0|2,0,0]=4 4774 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_200009817547 [1,1,0,0,0,0|2,0,0]=4 4775 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_200015260668 [1,1,0,0,0,0|2,0,0]=4 4776 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_200009817547 [1,1,0,0,0,0|2,0,0]=4 4777 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_200015260668 [1,1,0,0,0,0|2,0,0]=4 4778 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_200009817547 [1,1,0,0,0,0|2,0,0]=4 4779 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_200015260668 [1,1,0,0,0,0|2,0,0]=4 4780 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Br 34a_100011215434_200009817547 [1,1,0,0,0,0|2,0,0]=4 4781 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Br 7a_100011215434_200015260668 [1,1,0,0,0,0|2,0,0]=4 4782 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Cl 34a_100011830411_200009817547 [1,1,0,0,0,0|2,0,0]=4 4783 B13R1.1601 O=CCOc1c(cc(cc1Br)F)Cl 7a_100011830411_200015260668 [1,1,0,0,0,0|2,0,0]=4 4784 B13R1.1601 O=CCOc1c(cc(cc1Br)F)F 34a_100000688693_200009817547 [1,1,0,0,0,0|2,0,0]=4 4785 B13R1.1601 O=CCOc1c(cc(cc1Br)F)F 7a_100000688693_200015260668 [1,1,0,0,0,0|2,0,0]=4 4786 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_200009817547 [1,1,0,0,0,0|2,0,0]=4 4787 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_200015260668 [1,1,0,0,0,0|2,0,0]=4 4788 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)F 34a_100011216646_200009817547 [1,1,0,0,0,0|2,0,0]=4 4789 B13R1.1601 O=CCOc1c(cc(cc1Cl)Br)F 7a_100011216646_200015260668 [1,1,0,0,0,0|2,0,0]=4 4790 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_200009817547 [1,1,0,0,0,0|2,0,0]=4 4791 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_200015260668 [1,1,0,0,0,0|2,0,0]=4 4792 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_200009817547 [1,1,0,0,0,0|2,0,0]=4 4793 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_200015260668 [1,1,0,0,0,0|2,0,0]=4 4794 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)F 34a_100011935252_200009817547 [1,1,0,0,0,0|2,0,0]=4 4795 B13R1.1601 O=CCOc1c(cc(cc1Cl)F)F 7a_100011935252_200015260668 [1,1,0,0,0,0|2,0,0]=4 4796 B13R1.1601 O=CCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_200015260668 [1,1,0,0,0,0|2,0,0]=4 4797 B13R1.1601 O=CCOc1c(cc(cc1F)Br)F 34a_100011216917_200009817547 [1,1,0,0,0,0|2,0,0]=4 4798 B13R1.1601 O=CCOc1c(cc(cc1F)Br)F 7a_100011216917_200015260668 [1,1,0,0,0,0|2,0,0]=4 4799 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 34a_100011830429_200009817547 [1,1,0,0,0,0|2,0,0]=4 4800 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 7a_100011830429_200015260668 [1,1,0,0,0,0|2,0,0]=4 4801 B13R1.1601 O=CCOc1c(cc(cc1F)F)F 34a_100011218396_200009817547 [1,1,0,0,0,0|2,0,0]=4 4802 B13R1.1601 O=CCOc1c(cc(cc1F)F)F 7a_100011218396_200015260668 [1,1,0,0,0,0|2,0,0]=4 4803 B13R1.1601 O=CCOc1c(cc(cc1F)I)F 34a_200011830255_200009817547 [1,1,0,0,0,0|2,0,0]=4 4804 B13R1.1601 O=CCOc1c(cc(cc1F)I)F 7a_200011830255_200015260668 [1,1,0,0,0,0|2,0,0]=4 4805 B13R1.1601 O=CCOc1c(cc(cc1I)Br)F 34a_100013354677_200009817547 [1,1,0,0,0,0|2,0,0]=4 4806 B13R1.1601 O=CCOc1c(cc(cc1I)Br)F 7a_100013354677_200015260668 [1,1,0,0,0,0|2,0,0]=4 4807 B13R1.1601 O=CCOc1c(cc(cc1I)Br)I 7a_100009997433_200015260668 [1,1,0,0,0,0|2,0,0]=4 4808 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_200009817547 [1,1,0,0,0,0|2,0,0]=4 4809 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_200015260668 [1,1,0,0,0,0|2,0,0]=4 4810 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)I 7a_100000730656_200015260668 [1,1,0,0,0,0|2,0,0]=4 4811 B13R1.1601 O=CCOc1c(cc(cc1I)F)Br 34a_200013085147_200009817547 [1,1,0,0,0,0|2,0,0]=4 4812 B13R1.1601 O=CCOc1c(cc(cc1I)F)Br 7a_200013085147_200015260668 [1,1,0,0,0,0|2,0,0]=4 4813 B13R1.1601 O=CCOc1c(cc(cc1I)F)F 34a_200013204775_200009817547 [1,1,0,0,0,0|2,0,0]=4 4814 B13R1.1601 O=CCOc1c(cc(cc1I)F)F 7a_200013204775_200015260668 [1,1,0,0,0,0|2,0,0]=4 4815 B13R1.1601 O=CCOc1c(cc(cc1I)I)Cl 7a_100009997439_200015260668 [1,1,0,0,0,0|2,0,0]=4 4816 B13R1.1619 C#CCOc1c(cccc1CC)C 34a_100000034007_100000184674 [1,1,0,0,0,0|1,0,1]=4 4817 B13R1.1619 C#CCOc1c(cccc1CC)C 7a_100000034007_100000038162 [1,1,0,0,0,0|1,0,1]=4 4818 B13R1.1619 C#CCOc1c(cccc1CN)C 34a_100020639391_100000184674 [1,1,0,0,0,0|1,0,1]=4 4819 B13R1.1619 C#CCOc1c(cccc1OC)C 34a_100011219253_100000184674 [1,1,0,0,0,0|1,0,1]=4 4820 B13R1.1619 C#CCOc1c(cccc1OC)C 7a_100011219253_100000038162 [1,1,0,0,0,0|1,0,1]=4 4821 B13R1.1619 C=CCNc1c(cccc1CC)C 2230a_100000210048_100000210623 [1,1,0,0,0,0|2,0,0]=4 4822 B13R1.1619 C=CCNc1c(cccc1CC)C 34a_100000210048_100015514636 [1,1,0,0,0,0|2,0,0]=4 4823 B13R1.1619 C=CCNc1c(cccc1CC)C 7a_100000210048_100015514636 [1,1,0,0,0,0|2,0,0]=4 4824 B13R1.1619 C=CCNc1c(cccc1CO)C 34a_100011215590_100015514636 [1,1,0,0,0,0|2,0,0]=4 4825 B13R1.1619 C=CCNc1c(cccc1OC)C 2230a_100000758225_100000210623 [1,1,0,0,0,0|2,0,0]=4 4826 B13R1.1619 C=CCNc1c(cccc1OC)C 34a_100000758225_100015514636 [1,1,0,0,0,0|2,0,0]=4 4827 B13R1.1619 C=CCOc1c(cccc1C#N)C 34a_100011659161_100015514636 [1,1,0,0,0,0|1,0,1]=4 4828 B13R1.1619 C=CCOc1c(cccc1C#N)C 7a_100011659161_100015514636 [1,1,0,0,0,0|1,0,1]=4 4829 B13R1.1619 C=CCOc1c(cccc1CC)Br 34a_200010001580_100015514636 [1,1,0,0,0,0|2,0,0]=4 4830 B13R1.1619 C=CCOc1c(cccc1CC)Br 7a_200010001580_100015514636 [1,1,0,0,0,0|2,0,0]=4 4831 B13R1.1619 C=CCOc1c(cccc1CC)C 34a_100000034007_100015514636 [1,1,0,0,0,0|1,0,0]=3 4832 B13R1.1619 C=CCOc1c(cccc1CC)C 7a_100000034007_100015514636 [1,1,0,0,0,0|1,0,0]=3 4833 B13R1.1619 C=CCOc1c(cccc1CN)C 34a_100020639391_100015514636 [1,1,0,0,0,0|1,0,0]=3 4834 B13R1.1619 C=CCOc1c(cccc1CO)F 34a_100011997349_100015514636 [1,1,0,0,0,0|2,0,0]=4 4835 B13R1.1619 C=CCOc1c(cccc1CO)F 7a_100011997349_100015514636 [1,1,0,0,0,0|2,0,0]=4 4836 B13R1.1619 C=CCOc1c(cccc1OC)Br 34a_100000686866_100015514636 [1,1,0,0,0,0|2,0,0]=4 4837 B13R1.1619 C=CCOc1c(cccc1OC)C 34a_100011219253_100015514636 [1,1,0,0,0,0|1,0,0]=3 4838 B13R1.1619 C=CCOc1c(cccc1OC)C 7a_100011219253_100015514636 [1,1,0,0,0,0|1,0,0]=3 4839 B13R1.1619 C=CCOc1c(cccc1OC)Cl 34a_100009851661_100015514636 [1,1,0,0,0,0|2,0,0]=4 4840 B13R1.1619 C=CCOc1c(cccc1OC)Cl 7a_100009851661_100015514636 [1,1,0,0,0,0|2,0,0]=4 4841 B13R1.1619 C=CCOc1c(cccc1OC)F 34a_100000036725_100015514636 [1,1,0,0,0,0|2,0,0]=4 4842 B13R1.1619 C=CCOc1c(cccc1OC)F 7a_100000036725_100015514636 [1,1,0,0,0,0|2,0,0]=4 4843 B13R1.1619 C=CCOc1c(cccc1OC)N 34a_100000123586_100015514636 [1,1,0,0,0,0|2,0,0]=4 4844 B13R1.1619 C=CCSc1c(cccc1CC)C 62a_100000036235_100000210623 [1,1,0,0,0,0|1,1,0]=4 4845 B13R1.1619 C=CCSc1c(cccc1CC)C 62a_100000210623_100000036235 [1,1,0,0,0,0|1,1,0]=4 4846 B13R1.1619 C=CCSc1c(cccc1CO)C 62a_100000210623_100011659289 [1,1,0,0,0,0|1,1,0]=4 4847 B13R1.1619 C=CCSc1c(cccc1CO)C 62a_100011659289_100000210623 [1,1,0,0,0,0|1,1,0]=4 4848 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100000210623_100010191535 [1,1,0,0,0,0|1,1,0]=4 4849 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100010191535_100000210623 [1,1,0,0,0,0|1,1,0]=4 4850 B13R1.1619 CCCOc1c(cccc1CC)C 34a_100000034007_100000210303 [1,1,0,0,0,0|1,0,1]=4 4851 B13R1.1619 CCCOc1c(cccc1CC)C 7a_100000034007_100000210303 [1,1,0,0,0,0|1,0,1]=4 4852 B13R1.1619 CCCOc1c(cccc1CN)C 34a_100020639391_100000210303 [1,1,0,0,0,0|1,0,1]=4 4853 B13R1.1619 CCCOc1c(cccc1NC)C 34a_100012283158_200000210301 [1,1,0,0,0,0|1,0,1]=4 4854 B13R1.1619 CCCOc1c(cccc1N[13CH3])C 34a_100012283158_200025704644 [1,1,0,0,0,0|1,0,1]=4 4855 B13R1.1619 CCCOc1c(cccc1OC)C 34a_100011219253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4856 B13R1.1619 CCCOc1c(cccc1OC)C 7a_100011219253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4857 B13R1.1619 CCc1cccc(c1NCC=O)C 2230a_100000210048_200015260668 [1,1,0,0,0,0|1,0,0]=3 4858 B13R1.1619 CCc1cccc(c1NCC=O)C 34a_100000210048_200009817547 [1,1,0,0,0,0|1,0,0]=3 4859 B13R1.1619 CCc1cccc(c1NCC=O)C 7a_100000210048_200015260668 [1,1,0,0,0,0|1,0,0]=3 4860 B13R1.1619 CCc1cccc(c1NCCO)C 2230a_100000210048_100000211926 [1,1,0,0,0,0|1,0,1]=4 4861 B13R1.1619 CCc1cccc(c1NCCO)C 34a_100000210048_100000211926 [1,1,0,0,0,0|1,0,1]=4 4862 B13R1.1619 CCc1cccc(c1NCCO)C 7a_100000210048_100000211926 [1,1,0,0,0,0|1,0,1]=4 4863 B13R1.1619 CCc1cccc(c1OCC#N)C 7a_100000034007_100011215382 [1,1,0,0,0,0|1,0,1]=4 4864 B13R1.1619 CCc1cccc(c1OCC=O)Br 34a_200010001580_200009817547 [1,1,0,0,0,0|1,0,0]=3 4865 B13R1.1619 CCc1cccc(c1OCC=O)Br 7a_200010001580_200015260668 [1,1,0,0,0,0|1,0,0]=3 4866 B13R1.1619 CCc1cccc(c1OCC=O)C 34a_100000034007_200009817547 [1,1,0,0,0,0|0,0,0]=2 4867 B13R1.1619 CCc1cccc(c1OCC=O)C 7a_100000034007_200015260668 [1,1,0,0,0,0|0,0,0]=2 4868 B13R1.1619 CCc1cccc(c1OCCF)C 34a_100000034007_100011217306 [1,1,0,0,0,0|1,0,1]=4 4869 B13R1.1619 CCc1cccc(c1OCCF)C 7a_100000034007_100011217306 [1,1,0,0,0,0|1,0,1]=4 4870 B13R1.1619 CCc1cccc(c1OCCO)Br 34a_200010001580_100000211926 [1,1,0,0,0,0|1,0,1]=4 4871 B13R1.1619 CCc1cccc(c1OCCO)Br 7a_200010001580_100000211926 [1,1,0,0,0,0|1,0,1]=4 4872 B13R1.1619 CCc1cccc(c1OCCO)C 34a_100000034007_100000211926 [1,1,0,0,0,0|0,0,1]=3 4873 B13R1.1619 CCc1cccc(c1OCCO)C 7a_100000034007_100000211926 [1,1,0,0,0,0|0,0,1]=3 4874 B13R1.1619 CCc1cccc(c1OCSC)C 34a_100000034007_100011218213 [1,1,0,0,0,0|2,0,0]=4 4875 B13R1.1619 CCc1cccc(c1SCC=O)C 62a_100000036235_200015260668 [1,1,0,0,0,0|0,1,0]=3 4876 B13R1.1619 CCc1cccc(c1SCC=O)C 62a_200015260668_100000036235 [1,1,0,0,0,0|0,1,0]=3 4877 B13R1.1619 CCc1cccc(c1SCCO)C 62a_100000036235_100000211926 [1,1,0,0,0,0|0,1,1]=4 4878 B13R1.1619 CCc1cccc(c1SCCO)C 62a_100000211926_100000036235 [1,1,0,0,0,0|0,1,1]=4 4879 B13R1.1619 CCc1occc(=O)c1OCC=O 34a_100000033269_200009817547 [1,1,0,0,0,0|2,0,0]=4 4880 B13R1.1619 COc1cccc(c1NCC=O)Br 34a_100000708083_200009817547 [1,1,0,0,0,0|2,0,0]=4 4881 B13R1.1619 COc1cccc(c1NCC=O)C 2230a_100000758225_200015260668 [1,1,0,0,0,0|1,0,0]=3 4882 B13R1.1619 COc1cccc(c1NCC=O)C 34a_100000758225_200009817547 [1,1,0,0,0,0|1,0,0]=3 4883 B13R1.1619 COc1cccc(c1NCC=O)Cl 34a_100011309317_200009817547 [1,1,0,0,0,0|2,0,0]=4 4884 B13R1.1619 COc1cccc(c1NCC=O)F 34a_100000686744_200009817547 [1,1,0,0,0,0|2,0,0]=4 4885 B13R1.1619 COc1cccc(c1NCC=O)O 34a_100012022766_200009817547 [1,1,0,0,0,0|2,0,0]=4 4886 B13R1.1619 COc1cccc(c1NCCO)C 2230a_100000758225_100000211926 [1,1,0,0,0,0|1,0,1]=4 4887 B13R1.1619 COc1cccc(c1NCCO)C 34a_100000758225_100000211926 [1,1,0,0,0,0|1,0,1]=4 4888 B13R1.1619 COc1cccc(c1OCC#N)C 7a_100011219253_100011215382 [1,1,0,0,0,0|1,0,1]=4 4889 B13R1.1619 COc1cccc(c1OCC=O)Br 34a_100000686866_200009817547 [1,1,0,0,0,0|1,0,0]=3 4890 B13R1.1619 COc1cccc(c1OCC=O)C 34a_100011219253_200009817547 [1,1,0,0,0,0|0,0,0]=2 4891 B13R1.1619 COc1cccc(c1OCC=O)C 7a_100011219253_200015260668 [1,1,0,0,0,0|0,0,0]=2 4892 B13R1.1619 COc1cccc(c1OCC=O)Cl 34a_100009851661_200009817547 [1,1,0,0,0,0|1,0,0]=3 4893 B13R1.1619 COc1cccc(c1OCC=O)Cl 7a_100009851661_200015260668 [1,1,0,0,0,0|1,0,0]=3 4894 B13R1.1619 COc1cccc(c1OCC=O)F 34a_100000036725_200009817547 [1,1,0,0,0,0|1,0,0]=3 4895 B13R1.1619 COc1cccc(c1OCC=O)F 7a_100000036725_200015260668 [1,1,0,0,0,0|1,0,0]=3 4896 B13R1.1619 COc1cccc(c1OCC=O)N 34a_100000123586_200009817547 [1,1,0,0,0,0|1,0,0]=3 4897 B13R1.1619 COc1cccc(c1OCCF)C 34a_100011219253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4898 B13R1.1619 COc1cccc(c1OCCF)C 7a_100011219253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4899 B13R1.1619 COc1cccc(c1OCCO)Br 34a_100000686866_100000211926 [1,1,0,0,0,0|1,0,1]=4 4900 B13R1.1619 COc1cccc(c1OCCO)C 34a_100011219253_100000211926 [1,1,0,0,0,0|0,0,1]=3 4901 B13R1.1619 COc1cccc(c1OCCO)C 7a_100011219253_100000211926 [1,1,0,0,0,0|0,0,1]=3 4902 B13R1.1619 COc1cccc(c1OCCO)Cl 34a_100009851661_100000211926 [1,1,0,0,0,0|1,0,1]=4 4903 B13R1.1619 COc1cccc(c1OCCO)Cl 7a_100009851661_100000211926 [1,1,0,0,0,0|1,0,1]=4 4904 B13R1.1619 COc1cccc(c1OCCO)F 34a_100000036725_100000211926 [1,1,0,0,0,0|1,0,1]=4 4905 B13R1.1619 COc1cccc(c1OCCO)F 7a_100000036725_100000211926 [1,1,0,0,0,0|1,0,1]=4 4906 B13R1.1619 COc1cccc(c1OCCO)N 34a_100000123586_100000211926 [1,1,0,0,0,0|1,0,1]=4 4907 B13R1.1619 COc1cccc(c1OCSC)C 34a_100011219253_100011218213 [1,1,0,0,0,0|2,0,0]=4 4908 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_100010131421_200015260668 [1,1,0,0,0,0|1,1,0]=4 4909 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_200015260668_100010131421 [1,1,0,0,0,0|1,1,0]=4 4910 B13R1.1619 COc1cccc(c1SCC=O)C 62a_100010191535_200015260668 [1,1,0,0,0,0|0,1,0]=3 4911 B13R1.1619 COc1cccc(c1SCC=O)C 62a_200015260668_100010191535 [1,1,0,0,0,0|0,1,0]=3 4912 B13R1.1619 COc1cccc(c1SCC=O)F 62a_100000703912_200015260668 [1,1,0,0,0,0|1,1,0]=4 4913 B13R1.1619 COc1cccc(c1SCC=O)F 62a_200015260668_100000703912 [1,1,0,0,0,0|1,1,0]=4 4914 B13R1.1619 COc1cccc(c1SCC=O)N 62a_100000703447_200015260668 [1,1,0,0,0,0|1,1,0]=4 4915 B13R1.1619 COc1cccc(c1SCC=O)N 62a_200015260668_100000703447 [1,1,0,0,0,0|1,1,0]=4 4916 B13R1.1619 COc1cccc(c1SCC=O)O 62a_200015260668_100010202623 [1,1,0,0,0,0|1,1,0]=4 4917 B13R1.1619 COc1cccc(c1SCCO)C 62a_100000211926_100010191535 [1,1,0,0,0,0|0,1,1]=4 4918 B13R1.1619 COc1cccc(c1SCCO)C 62a_100010191535_100000211926 [1,1,0,0,0,0|0,1,1]=4 4919 B13R1.1619 COc1nccc(c1SCC=O)C 62a_100012353928_200015260668 [1,1,0,0,0,0|1,1,0]=4 4920 B13R1.1619 COc1nccc(c1SCC=O)C 62a_200015260668_100012353928 [1,1,0,0,0,0|1,1,0]=4 4921 B13R1.1619 CSCOc1c(cccc1CN)C 34a_100020639391_100011218213 [1,1,0,0,0,0|2,0,0]=4 4922 B13R1.1619 Cc1cccc(c1NCC=O)C#N 2230a_100011826843_200015260668 [1,1,0,0,0,0|1,0,1]=4 4923 B13R1.1619 Cc1cccc(c1NCC=O)CO 34a_100011215590_200009817547 [1,1,0,0,0,0|1,0,0]=3 4924 B13R1.1619 Cc1cccc(c1NCCO)CO 34a_100011215590_100000211926 [1,1,0,0,0,0|1,0,1]=4 4925 B13R1.1619 Cc1cccc(c1OCC=O)C#N 34a_100011659161_200009817547 [1,1,0,0,0,0|0,0,1]=3 4926 B13R1.1619 Cc1cccc(c1OCC=O)C#N 7a_100011659161_200015260668 [1,1,0,0,0,0|0,0,1]=3 4927 B13R1.1619 Cc1cccc(c1OCC=O)CN 34a_100020639391_200009817547 [1,1,0,0,0,0|0,0,0]=2 4928 B13R1.1619 Cc1cccc(c1OCCF)CN 34a_100020639391_100011217306 [1,1,0,0,0,0|1,0,1]=4 4929 B13R1.1619 Cc1cccc(c1OCCO)C#N 34a_100011659161_100000211926 [1,1,0,0,0,0|0,0,2]=4 4930 B13R1.1619 Cc1cccc(c1OCCO)C#N 7a_100011659161_100000211926 [1,1,0,0,0,0|0,0,2]=4 4931 B13R1.1619 Cc1cccc(c1OCCO)CN 34a_100020639391_100000211926 [1,1,0,0,0,0|0,0,1]=3 4932 B13R1.1619 Cc1cccc(c1SCC=O)C#N 62a_200015260668_100011934862 [1,1,0,0,0,0|0,1,1]=4 4933 B13R1.1619 Cc1cccc(c1SCC=O)C=O 62a_100012186367_200015260668 [1,1,0,0,0,0|0,1,1]=4 4934 B13R1.1619 Cc1cccc(c1SCC=O)C=O 62a_200015260668_100012186367 [1,1,0,0,0,0|0,1,1]=4 4935 B13R1.1619 Cc1cccc(c1SCC=O)CO 62a_100011659289_200015260668 [1,1,0,0,0,0|0,1,0]=3 4936 B13R1.1619 Cc1cccc(c1SCC=O)CO 62a_200015260668_100011659289 [1,1,0,0,0,0|0,1,0]=3 4937 B13R1.1619 Cc1cccc(c1SCCO)CO 62a_100000211926_100011659289 [1,1,0,0,0,0|0,1,1]=4 4938 B13R1.1619 Cc1cccc(c1SCCO)CO 62a_100011659289_100000211926 [1,1,0,0,0,0|0,1,1]=4 4939 B13R1.1619 N#Cc1cccc(c1OCC=O)Br 34a_100009817103_200009817547 [1,1,0,0,0,0|1,0,1]=4 4940 B13R1.1619 N#Cc1cccc(c1OCC=O)Cl 34a_100009866432_200009817547 [1,1,0,0,0,0|1,0,1]=4 4941 B13R1.1619 N#Cc1cccc(c1OCC=O)Cl 7a_100009866432_200015260668 [1,1,0,0,0,0|1,0,1]=4 4942 B13R1.1619 N#Cc1cccc(c1OCC=O)F 34a_100000117915_200009817547 [1,1,0,0,0,0|1,0,1]=4 4943 B13R1.1619 N#Cc1cccc(c1OCC=O)F 7a_100000117915_200015260668 [1,1,0,0,0,0|1,0,1]=4 4944 B13R1.1619 NCc1cccc(c1SCC=O)F 62a_100020638964_200015260668 [1,1,0,0,0,0|1,1,0]=4 4945 B13R1.1619 NCc1cccc(c1SCC=O)F 62a_200015260668_100020638964 [1,1,0,0,0,0|1,1,0]=4 4946 B13R1.1619 O=CCNc1c(cccc1CO)Cl 34a_100012182729_200009817547 [1,1,0,0,0,0|2,0,0]=4 4947 B13R1.1619 O=CCNc1c(cccc1CO)F 34a_100000692437_200009817547 [1,1,0,0,0,0|2,0,0]=4 4948 B13R1.1619 O=CCOc1c(cccc1CO)F 34a_100011997349_200009817547 [1,1,0,0,0,0|1,0,0]=3 4949 B13R1.1619 O=CCOc1c(cccc1CO)F 7a_100011997349_200015260668 [1,1,0,0,0,0|1,0,0]=3 4950 B13R1.1619 O=CCSc1c(cccc1CO)Br 62a_100010146604_200015260668 [1,1,0,0,0,0|1,1,0]=4 4951 B13R1.1619 O=CCSc1c(cccc1CO)Br 62a_200015260668_100010146604 [1,1,0,0,0,0|1,1,0]=4 4952 B13R1.1619 O=CCSc1c(cccc1CO)F 62a_100012351117_200015260668 [1,1,0,0,0,0|1,1,0]=4 4953 B13R1.1619 O=CCSc1c(cccc1CO)F 62a_200015260668_100012351117 [1,1,0,0,0,0|1,1,0]=4 4954 B13R1.1619 OCCOc1c(cccc1CO)F 34a_100011997349_100000211926 [1,1,0,0,0,0|1,0,1]=4 4955 B13R1.1619 OCCOc1c(cccc1CO)F 7a_100011997349_100000211926 [1,1,0,0,0,0|1,0,1]=4 4956 B13R1.3395 C#CCOc1c(ccc(c1C)C)C 34a_100000211305_100000184674 [1,1,0,0,0,0|1,0,1]=4 4957 B13R1.3395 C#CCOc1c(ccc(c1C)C)C 7a_100000211305_100000038162 [1,1,0,0,0,0|1,0,1]=4 4958 B13R1.3395 C=CCNc1c(ccc(c1C)Br)C 34a_200010074581_100015514636 [1,1,0,0,0,0|2,0,0]=4 4959 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 2230a_100000117417_100000210623 [1,1,0,0,0,0|2,0,0]=4 4960 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 34a_100000117417_100015514636 [1,1,0,0,0,0|2,0,0]=4 4961 B13R1.3395 C=CCNc1c(ccc(c1C)C)C 7a_100000117417_100015514636 [1,1,0,0,0,0|2,0,0]=4 4962 B13R1.3395 C=CCNc1c(ccc(c1C)Cl)C 2230a_200020642106_100000210623 [1,1,0,0,0,0|2,0,0]=4 4963 B13R1.3395 C=CCNc1c(ccc(c1C)Cl)C 34a_200020642106_100015514636 [1,1,0,0,0,0|2,0,0]=4 4964 B13R1.3395 C=CCNc1c(ccc(c1C)I)C 34a_200010115591_100015514636 [1,1,0,0,0,0|2,0,0]=4 4965 B13R1.3395 C=CCOc1c(ccc(c1C)C)C 34a_100000211305_100015514636 [1,1,0,0,0,0|1,0,0]=3 4966 B13R1.3395 C=CCOc1c(ccc(c1C)C)C 7a_100000211305_100015514636 [1,1,0,0,0,0|1,0,0]=3 4967 B13R1.3395 C=CCOc1c(ccc(c1C)Cl)Br 34a_200010391122_100015514636 [1,1,0,0,0,0|2,0,0]=4 4968 B13R1.3395 C=CCOc1c(ccc(c1C)Cl)Br 7a_200010391122_100015514636 [1,1,0,0,0,0|2,0,0]=4 4969 B13R1.3395 C=CCOc1c(ccc(c1C)F)Br 34a_200010391124_100015514636 [1,1,0,0,0,0|2,0,0]=4 4970 B13R1.3395 C=CCOc1c(ccc(c1C)F)Br 7a_200010391124_100015514636 [1,1,0,0,0,0|2,0,0]=4 4971 B13R1.3395 C=CCOc1c(ccc(c1Cl)N)C 34a_100000036876_100015514636 [1,1,0,0,0,0|2,0,0]=4 4972 B13R1.3395 C=CCOc1c(ccc(c1Cl)N)C 7a_100000036876_100015514636 [1,1,0,0,0,0|2,0,0]=4 4973 B13R1.3395 C=CCSc1c(ccc(c1C)F)C 62a_100000210623_100011068659 [1,1,0,0,0,0|1,1,0]=4 4974 B13R1.3395 C=CCSc1c(ccc(c1C)F)C 62a_100011068659_100000210623 [1,1,0,0,0,0|1,1,0]=4 4975 B13R1.3395 C=CCSc1c(ccc(c1C)N)C 62a_100000210623_106354213274 [1,1,0,0,0,0|1,1,0]=4 4976 B13R1.3395 C=CCSc1c(ccc(c1C)N)C 62a_106354213274_100000210623 [1,1,0,0,0,0|1,1,0]=4 4977 B13R1.3395 C=CCSc1c(ccc(c1C)O)C 62a_100000210623_100010659238 [1,1,0,0,0,0|1,1,0]=4 4978 B13R1.3395 C=CCSc1c(ccc(c1C)O)C 62a_100010659238_100000210623 [1,1,0,0,0,0|1,1,0]=4 4979 B13R1.3395 CCCOc1c(ccc(c1C)C)C 34a_100000211305_100000210303 [1,1,0,0,0,0|1,0,1]=4 4980 B13R1.3395 CCCOc1c(ccc(c1C)C)C 7a_100000211305_100000210303 [1,1,0,0,0,0|1,0,1]=4 4981 B13R1.3395 CSCOc1c(ccc(c1C)C)C 34a_100000211305_100011218213 [1,1,0,0,0,0|2,0,0]=4 4982 B13R1.3395 Cc1c(c(=O)ccn1C)OCC=O 34a_100000032683_200009817547 [1,1,0,0,0,0|2,0,0]=4 4983 B13R1.3395 Cc1c(c(=O)ccn1C)OCC=O 7a_100000032683_200015260668 [1,1,0,0,0,0|2,0,0]=4 4984 B13R1.3395 Cc1c(ccc(c1NCC=O)Br)F 34a_100011009917_200009817547 [1,1,0,0,0,0|2,0,0]=4 4985 B13R1.3395 Cc1c(ccc(c1NCC=O)Cl)Cl 34a_100009961198_200009817547 [1,1,0,0,0,0|2,0,0]=4 4986 B13R1.3395 Cc1c(ccc(c1NCC=O)F)Br 2230a_100010588651_200015260668 [1,1,0,0,0,0|2,0,0]=4 4987 B13R1.3395 Cc1c(ccc(c1NCC=O)F)Br 34a_100010588651_200009817547 [1,1,0,0,0,0|2,0,0]=4 4988 B13R1.3395 Cc1c(ccc(c1NCC=O)O)Br 34a_100013039247_200009817547 [1,1,0,0,0,0|2,0,0]=4 4989 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)Cl 34a_200010391122_200009817547 [1,1,0,0,0,0|1,0,0]=3 4990 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)Cl 7a_200010391122_200015260668 [1,1,0,0,0,0|1,0,0]=3 4991 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)F 34a_200010391124_200009817547 [1,1,0,0,0,0|1,0,0]=3 4992 B13R1.3395 Cc1c(ccc(c1OCC=O)Br)F 7a_200010391124_200015260668 [1,1,0,0,0,0|1,0,0]=3 4993 B13R1.3395 Cc1c(ccc(c1OCCO)Br)Cl 34a_200010391122_100000211926 [1,1,0,0,0,0|1,0,1]=4 4994 B13R1.3395 Cc1c(ccc(c1OCCO)Br)Cl 7a_200010391122_100000211926 [1,1,0,0,0,0|1,0,1]=4 4995 B13R1.3395 Cc1c(ccc(c1OCCO)Br)F 34a_200010391124_100000211926 [1,1,0,0,0,0|1,0,1]=4 4996 B13R1.3395 Cc1c(ccc(c1OCCO)Br)F 7a_200010391124_100000211926 [1,1,0,0,0,0|1,0,1]=4 4997 B13R1.3395 Cc1c(ccc(c1SCC=O)F)F 62a_100010167959_200015260668 [1,1,0,0,0,0|1,1,0]=4 4998 B13R1.3395 Cc1c(ccc(c1SCC=O)F)F 62a_200015260668_100010167959 [1,1,0,0,0,0|1,1,0]=4 4999 B13R1.3395 Cc1ccc(c(c1Br)OCC=O)F 34a_200010223207_200009817547 [1,1,0,0,0,0|2,0,0]=4 5000 B13R1.3395 Cc1ccc(c(c1Br)OCC=O)F 7a_200010223207_200015260668 [1,1,0,0,0,0|2,0,0]=4 5001 B13R1.3395 Cc1ccc(c(c1C)NCC=O)C 2230a_100000117417_200015260668 [1,1,0,0,0,0|1,0,0]=3 5002 B13R1.3395 Cc1ccc(c(c1C)NCC=O)C 34a_100000117417_200009817547 [1,1,0,0,0,0|1,0,0]=3 5003 B13R1.3395 Cc1ccc(c(c1C)NCC=O)C 7a_100000117417_200015260668 [1,1,0,0,0,0|1,0,0]=3 5004 B13R1.3395 Cc1ccc(c(c1C)NCCO)C 2230a_100000117417_100000211926 [1,1,0,0,0,0|1,0,1]=4 5005 B13R1.3395 Cc1ccc(c(c1C)NCCO)C 34a_100000117417_100000211926 [1,1,0,0,0,0|1,0,1]=4 5006 B13R1.3395 Cc1ccc(c(c1C)NCCO)C 7a_100000117417_100000211926 [1,1,0,0,0,0|1,0,1]=4 5007 B13R1.3395 Cc1ccc(c(c1C)OCC#N)C 7a_100000211305_100011215382 [1,1,0,0,0,0|1,0,1]=4 5008 B13R1.3395 Cc1ccc(c(c1C)OCC=O)C 34a_100000211305_200009817547 [1,1,0,0,0,0|0,0,0]=2 5009 B13R1.3395 Cc1ccc(c(c1C)OCC=O)C 7a_100000211305_200015260668 [1,1,0,0,0,0|0,0,0]=2 5010 B13R1.3395 Cc1ccc(c(c1C)OCCF)C 34a_100000211305_100011217306 [1,1,0,0,0,0|1,0,1]=4 5011 B13R1.3395 Cc1ccc(c(c1C)OCCF)C 7a_100000211305_100011217306 [1,1,0,0,0,0|1,0,1]=4 5012 B13R1.3395 Cc1ccc(c(c1C)OCCO)C 34a_100000211305_100000211926 [1,1,0,0,0,0|0,0,1]=3 5013 B13R1.3395 Cc1ccc(c(c1C)OCCO)C 7a_100000211305_100000211926 [1,1,0,0,0,0|0,0,1]=3 5014 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)Cl 34a_200000087117_200009817547 [1,1,0,0,0,0|2,0,0]=4 5015 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)Cl 7a_200000087117_200015260668 [1,1,0,0,0,0|2,0,0]=4 5016 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)F 34a_100000035349_200009817547 [1,1,0,0,0,0|2,0,0]=4 5017 B13R1.3395 Cc1ccc(c(c1Cl)OCC=O)F 7a_100000035349_200015260668 [1,1,0,0,0,0|2,0,0]=4 5018 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Br 34a_100000722096_200009817547 [1,1,0,0,0,0|2,0,0]=4 5019 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Br 7a_100000722096_200015260668 [1,1,0,0,0,0|2,0,0]=4 5020 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Cl 34a_200000034537_200009817547 [1,1,0,0,0,0|2,0,0]=4 5021 B13R1.3395 Cc1ccc(c(c1F)OCC=O)Cl 7a_200000034537_200015260668 [1,1,0,0,0,0|2,0,0]=4 5022 B13R1.3395 Cc1ccc(c(c1F)OCC=O)F 34a_100011216644_200009817547 [1,1,0,0,0,0|2,0,0]=4 5023 B13R1.3395 Cc1ccc(c(c1F)OCC=O)F 7a_100011216644_200015260668 [1,1,0,0,0,0|2,0,0]=4 5024 B13R1.3395 Cc1ccc(c(c1NCC=O)C)Br 34a_200010074581_200009817547 [1,1,0,0,0,0|1,0,0]=3 5025 B13R1.3395 Cc1ccc(c(c1NCC=O)C)Cl 2230a_200020642106_200015260668 [1,1,0,0,0,0|1,0,0]=3 5026 B13R1.3395 Cc1ccc(c(c1NCC=O)C)Cl 34a_200020642106_200009817547 [1,1,0,0,0,0|1,0,0]=3 5027 B13R1.3395 Cc1ccc(c(c1NCC=O)C)I 34a_200010115591_200009817547 [1,1,0,0,0,0|1,0,0]=3 5028 B13R1.3395 Cc1ccc(c(c1NCCO)C)Br 34a_200010074581_100000211926 [1,1,0,0,0,0|1,0,1]=4 5029 B13R1.3395 Cc1ccc(c(c1NCCO)C)Cl 2230a_200020642106_100000211926 [1,1,0,0,0,0|1,0,1]=4 5030 B13R1.3395 Cc1ccc(c(c1NCCO)C)Cl 34a_200020642106_100000211926 [1,1,0,0,0,0|1,0,1]=4 5031 B13R1.3395 Cc1ccc(c(c1NCCO)C)I 34a_200010115591_100000211926 [1,1,0,0,0,0|1,0,1]=4 5032 B13R1.3395 Cc1ccc(c(c1OCC=O)Cl)N 34a_100000036876_200009817547 [1,1,0,0,0,0|1,0,0]=3 5033 B13R1.3395 Cc1ccc(c(c1OCC=O)Cl)N 7a_100000036876_200015260668 [1,1,0,0,0,0|1,0,0]=3 5034 B13R1.3395 Cc1ccc(c(c1OCCO)Cl)N 34a_100000036876_100000211926 [1,1,0,0,0,0|1,0,1]=4 5035 B13R1.3395 Cc1ccc(c(c1OCCO)Cl)N 7a_100000036876_100000211926 [1,1,0,0,0,0|1,0,1]=4 5036 B13R1.3395 Cc1ccc(c(c1SCC=O)C)F 62a_100011068659_200015260668 [1,1,0,0,0,0|0,1,0]=3 5037 B13R1.3395 Cc1ccc(c(c1SCC=O)C)F 62a_200015260668_100011068659 [1,1,0,0,0,0|0,1,0]=3 5038 B13R1.3395 Cc1ccc(c(c1SCC=O)C)N 62a_106354213274_200015260668 [1,1,0,0,0,0|0,1,0]=3 5039 B13R1.3395 Cc1ccc(c(c1SCC=O)C)N 62a_200015260668_106354213274 [1,1,0,0,0,0|0,1,0]=3 5040 B13R1.3395 Cc1ccc(c(c1SCC=O)C)O 62a_100010659238_200015260668 [1,1,0,0,0,0|0,1,0]=3 5041 B13R1.3395 Cc1ccc(c(c1SCC=O)C)O 62a_200015260668_100010659238 [1,1,0,0,0,0|0,1,0]=3 5042 B13R1.3395 Cc1ccc(c(c1SCC=O)O)F 62a_200010223207_200015260668 [1,1,0,0,0,0|1,1,0]=4 5043 B13R1.3395 Cc1ccc(c(c1SCC=O)O)F 62a_200015260668_200010223207 [1,1,0,0,0,0|1,1,0]=4 5044 B13R1.3395 Cc1ccc(c(c1SCCO)C)F 62a_100000211926_100011068659 [1,1,0,0,0,0|0,1,1]=4 5045 B13R1.3395 Cc1ccc(c(c1SCCO)C)F 62a_100011068659_100000211926 [1,1,0,0,0,0|0,1,1]=4 5046 B13R1.3395 Cc1ccc(c(c1SCCO)C)N 62a_100000211926_106354213274 [1,1,0,0,0,0|0,1,1]=4 5047 B13R1.3395 Cc1ccc(c(c1SCCO)C)N 62a_106354213274_100000211926 [1,1,0,0,0,0|0,1,1]=4 5048 B13R1.3395 Cc1ccc(c(c1SCCO)C)O 62a_100000211926_100010659238 [1,1,0,0,0,0|0,1,1]=4 5049 B13R1.3395 Cc1ccc(c(c1SCCO)C)O 62a_100010659238_100000211926 [1,1,0,0,0,0|0,1,1]=4 5050 B13R1.3395 Cc1cnc(c(c1SCC=O)C)F 62a_100011016222_200015260668 [1,1,0,0,0,0|1,1,0]=4 5051 B13R1.3395 Cc1cnc(c(c1SCC=O)C)F 62a_200015260668_100011016222 [1,1,0,0,0,0|1,1,0]=4 5052 B13R1.3395 Cc1ncc(c(c1SCC=O)C)N 62a_100012352430_200015260668 [1,1,0,0,0,0|1,1,0]=4 5053 B13R1.3395 Cc1ncc(c(c1SCC=O)C)N 62a_200015260668_100012352430 [1,1,0,0,0,0|1,1,0]=4 5054 B13R1.3395 Nc1ccc(c(c1OCC=O)Br)F 34a_100010128263_200009817547 [1,1,0,0,0,0|2,0,0]=4 5055 B13R1.3395 Nc1ccc(c(c1OCC=O)Br)F 7a_100010128263_200015260668 [1,1,0,0,0,0|2,0,0]=4 5056 B13R1.3395 Nc1ccc(c(c1OCC=O)F)F 34a_100015205010_200009817547 [1,1,0,0,0,0|2,0,0]=4 5057 B13R1.3395 Nc1ccc(c(c1OCC=O)F)F 7a_100015205010_200015260668 [1,1,0,0,0,0|2,0,0]=4 5058 B13R1.3395 O=CCOc1c(ccc(c1Br)F)F 34a_100010170822_200009817547 [1,1,0,0,0,0|2,0,0]=4 5059 B13R1.3395 O=CCOc1c(ccc(c1Br)F)F 7a_100010170822_200015260668 [1,1,0,0,0,0|2,0,0]=4 5060 B13R1.3395 O=CCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200009817547 [1,1,0,0,0,0|2,0,0]=4 5061 B13R1.3395 O=CCOc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200015260668 [1,1,0,0,0,0|2,0,0]=4 5062 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200009817547 [1,1,0,0,0,0|2,0,0]=4 5063 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200015260668 [1,1,0,0,0,0|2,0,0]=4 5064 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_200009817547 [1,1,0,0,0,0|2,0,0]=4 5065 B13R1.3395 O=CCOc1c(ccc(c1Cl)Cl)F 7a_100000062035_200015260668 [1,1,0,0,0,0|2,0,0]=4 5066 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)Br 34a_100014979575_200009817547 [1,1,0,0,0,0|2,0,0]=4 5067 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)Br 7a_100014979575_200015260668 [1,1,0,0,0,0|2,0,0]=4 5068 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)F 34a_100000038336_200009817547 [1,1,0,0,0,0|2,0,0]=4 5069 B13R1.3395 O=CCOc1c(ccc(c1Cl)F)F 7a_100000038336_200015260668 [1,1,0,0,0,0|2,0,0]=4 5070 B13R1.3395 O=CCOc1c(ccc(c1F)Br)Cl 34a_100010240321_200009817547 [1,1,0,0,0,0|2,0,0]=4 5071 B13R1.3395 O=CCOc1c(ccc(c1F)Br)Cl 7a_100010240321_200015260668 [1,1,0,0,0,0|2,0,0]=4 5072 B13R1.3395 O=CCOc1c(ccc(c1F)Br)F 34a_100010167067_200009817547 [1,1,0,0,0,0|2,0,0]=4 5073 B13R1.3395 O=CCOc1c(ccc(c1F)Br)F 7a_100010167067_200015260668 [1,1,0,0,0,0|2,0,0]=4 5074 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)Br 34a_100010081130_200009817547 [1,1,0,0,0,0|2,0,0]=4 5075 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)Br 7a_100010081130_200015260668 [1,1,0,0,0,0|2,0,0]=4 5076 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)F 34a_100000034634_200009817547 [1,1,0,0,0,0|2,0,0]=4 5077 B13R1.3395 O=CCOc1c(ccc(c1F)Cl)F 7a_100000034634_200015260668 [1,1,0,0,0,0|2,0,0]=4 5078 B13R1.3395 O=CCOc1c(ccc(c1F)F)Br 34a_100010243909_200009817547 [1,1,0,0,0,0|2,0,0]=4 5079 B13R1.3395 O=CCOc1c(ccc(c1F)F)Br 7a_100010243909_200015260668 [1,1,0,0,0,0|2,0,0]=4 5080 B13R1.3395 O=CCOc1c(ccc(c1F)F)F 34a_100000031686_200009817547 [1,1,0,0,0,0|2,0,0]=4 5081 B13R1.3395 O=CCOc1c(ccc(c1F)F)F 7a_100000031686_200015260668 [1,1,0,0,0,0|2,0,0]=4 5082 B13R1.3395 O=CCOc1c(ccc(c1F)I)Br 34a_200010782288_200009817547 [1,1,0,0,0,0|2,0,0]=4 5083 B13R1.3395 O=CCOc1c(ccc(c1F)I)Br 7a_200010782288_200015260668 [1,1,0,0,0,0|2,0,0]=4 5084 B13R1.4453 C=CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210623 [1,1,0,0,0,0|2,0,0]=4 5085 B13R1.4453 C=CCN(C)c1c(cccc1C)C 2230a_100011645471_100000210623 [1,1,0,0,0,0|2,0,0]=4 5086 B13R1.4453 C=CCN(C)c1c(cccc1C)C 269982a_100011645471_100000210623 [1,1,0,0,0,0|2,0,0]=4 5087 B13R1.4453 C=CCN(C)c1c(cccc1C)C 34a_100011645471_100015514636 [1,1,0,0,0,0|2,0,0]=4 5088 B13R1.4453 Cc1cccc(c1C(=O)CCO)C 1458a_100000758298_100000211926 [1,1,0,0,0,0|1,0,1]=4 5089 B13R1.4453 Cc1cccc(c1N(C)CC=O)C 2230a_100011645471_200015260668 [1,1,0,0,0,0|1,0,0]=3 5090 B13R1.4453 Cc1cccc(c1N(C)CC=O)C 269982a_100011645471_200015260668 [1,1,0,0,0,0|1,0,0]=3 5091 B13R1.4453 Cc1cccc(c1N(C)CC=O)C 34a_100011645471_200009817547 [1,1,0,0,0,0|1,0,0]=3 5092 B13R1.4453 Cc1cccc(c1N(C)CCO)C 2230a_100011645471_100000211926 [1,1,0,0,0,0|1,0,1]=4 5093 B13R1.4453 Cc1cccc(c1N(C)CCO)C 269982a_100011645471_100000211926 [1,1,0,0,0,0|1,0,1]=4 5094 B13R1.4453 Cc1cccc(c1N(C)CCO)C 34a_100011645471_100000211926 [1,1,0,0,0,0|1,0,1]=4 5095 B13R1.4928 C#CC(C)Oc1c(cccc1C)C 34a_100000210341_200000035995 [1,1,0,0,0,0|1,0,1]=4 5096 B13R1.4928 C=CC(C)Sc1c(cccc1C)C 62a_100011215867_100000033847 [1,1,0,0,0,0|1,1,0]=4 5097 B13R1.4928 CCC(C)Oc1c(cccc1C)C 34a_100000210341_100011215416 [1,1,0,0,0,0|1,0,1]=4 5098 B13R1.4928 CCC(C)Oc1c(cccc1C)C 7a_100000210341_100000758301 [1,1,0,0,0,0|1,0,1]=4 5099 B13R1.4928 Cc1cccc(c1NC(C)CO)C 34a_100000185769_100012180447 [1,1,0,0,0,0|1,0,1]=4 5100 B13R1.4928 Cc1cccc(c1OC(C)C#N)C 7a_100000210341_100000703298 [1,1,0,0,0,0|1,0,1]=4 5101 B13R1.4928 Cc1cccc(c1OC(C)CO)Br 34a_100009817157_100012180447 [1,1,0,0,0,0|1,0,1]=4 5102 B13R1.4928 Cc1cccc(c1OC(C)CO)Br 7a_100009817157_100012180447 [1,1,0,0,0,0|1,0,1]=4 5103 B13R1.4928 Cc1cccc(c1OC(C)CO)C 34a_100000210341_100012180447 [1,1,0,0,0,0|0,0,1]=3 5104 B13R1.4928 Cc1cccc(c1OC(C)CO)C 7a_100000210341_100012180447 [1,1,0,0,0,0|0,0,1]=3 5105 B13R1.4928 Cc1cccc(c1OC(C)CO)Cl 34a_100000033731_100012180447 [1,1,0,0,0,0|1,0,1]=4 5106 B13R1.4928 Cc1cccc(c1OC(C)CO)Cl 7a_100000033731_100012180447 [1,1,0,0,0,0|1,0,1]=4 5107 B13R1.4928 Cc1cccc(c1OC(C)CO)F 34a_100011659162_100012180447 [1,1,0,0,0,0|1,0,1]=4 5108 B13R1.4928 Cc1cccc(c1OC(C)CO)F 7a_100011659162_100012180447 [1,1,0,0,0,0|1,0,1]=4 5109 B13R1.4928 Cc1cccc(c1OC(C)CO)N 34a_100000756359_100012180447 [1,1,0,0,0,0|1,0,1]=4 5110 B13R1.4928 Cc1cccc(c1OC(C)CO)N 7a_100000756359_100012180447 [1,1,0,0,0,0|1,0,1]=4 5111 B13R1.4928 Cc1cccc(c1SC(C)CO)C 62a_100012180447_100000033847 [1,1,0,0,0,0|0,1,1]=4 5112 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)C 62a_100000033847_100016084084 [1,1,0,0,0,0|0,1,1]=4 5113 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)C 62a_100016084084_100000033847 [1,1,0,0,0,0|0,1,1]=4 5114 B13R1.4928 Cc1ccnc(c1OC(C)CO)C 34a_100011934651_100012180447 [1,1,0,0,0,0|1,0,1]=4 5115 B13R1.4928 Cc1ccnc(c1OC(C)CO)C 7a_100011934651_100012180447 [1,1,0,0,0,0|1,0,1]=4 5116 B13R1.8919 C#CCCOc1c(cccc1C)C 34a_100000210341_100000688953 [1,1,0,0,0,0|1,0,1]=4 5117 B13R1.8919 C#CCCOc1c(cccc1C)C 7a_100000210341_100000688953 [1,1,0,0,0,0|1,0,1]=4 5118 B13R1.8919 C#CCOCc1c(cccc1C)C 34a_100000210247_100000758300 [1,1,0,0,0,0|1,0,1]=4 5119 B13R1.8919 C#CCOCc1c(cccc1C)C 34a_100011933981_100000184674 [1,1,0,0,0,0|1,0,1]=4 5120 B13R1.8919 C#CCOCc1c(cccc1C)C 7a_100011933981_100000038162 [1,1,0,0,0,0|1,0,1]=4 5121 B13R1.8919 C/C=C/CNc1c(cccc1C)C 34a_100000185769_100102629194 [1,1,0,0,0,0|2,0,0]=4 5122 B13R1.8919 C/C=C/COc1c(cccc1Br)C 34a_100009817157_100102629194 [1,1,0,0,0,0|2,0,0]=4 5123 B13R1.8919 C/C=C/COc1c(cccc1Br)C 7a_100009817157_100102629194 [1,1,0,0,0,0|2,0,0]=4 5124 B13R1.8919 C/C=C/COc1c(cccc1C)C 34a_100000210341_100102629194 [1,1,0,0,0,0|1,0,0]=3 5125 B13R1.8919 C/C=C/COc1c(cccc1C)C 7a_100000210341_100102629194 [1,1,0,0,0,0|1,0,0]=3 5126 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 34a_100000033731_100102629194 [1,1,0,0,0,0|2,0,0]=4 5127 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 7a_100000033731_100102629194 [1,1,0,0,0,0|2,0,0]=4 5128 B13R1.8919 C/C=C/COc1c(cccc1F)C 34a_100011659162_100102629194 [1,1,0,0,0,0|2,0,0]=4 5129 B13R1.8919 C/C=C/COc1c(cccc1F)C 7a_100011659162_100102629194 [1,1,0,0,0,0|2,0,0]=4 5130 B13R1.8919 C/C=C/COc1c(cccc1N)C 34a_100000756359_100102629194 [1,1,0,0,0,0|2,0,0]=4 5131 B13R1.8919 C/C=C/COc1c(cccc1N)C 7a_100000756359_100102629194 [1,1,0,0,0,0|2,0,0]=4 5132 B13R1.8919 C/C=C/COc1c(ccnc1C)C 34a_100011934651_100102629194 [1,1,0,0,0,0|2,0,0]=4 5133 B13R1.8919 C/C=C/COc1c(ccnc1C)C 7a_100011934651_100102629194 [1,1,0,0,0,0|2,0,0]=4 5134 B13R1.8919 C/C=C/CSc1c(cccc1C)C 62a_100000033847_100102629194 [1,1,0,0,0,0|1,1,0]=4 5135 B13R1.8919 C/C=C/CSc1c(cccc1C)C 62a_100102629194_100000033847 [1,1,0,0,0,0|1,1,0]=4 5136 B13R1.8919 C=CCCNc1c(cccc1C)C 34a_100000185769_100000754431 [1,1,0,0,0,0|2,0,0]=4 5137 B13R1.8919 C=CCCOc1c(cccc1Br)C 34a_100009817157_100000754431 [1,1,0,0,0,0|2,0,0]=4 5138 B13R1.8919 C=CCCOc1c(cccc1Br)C 7a_100009817157_100000754431 [1,1,0,0,0,0|2,0,0]=4 5139 B13R1.8919 C=CCCOc1c(cccc1C)C 34a_100000210341_100000754431 [1,1,0,0,0,0|1,0,0]=3 5140 B13R1.8919 C=CCCOc1c(cccc1C)C 7a_100000210341_100000754431 [1,1,0,0,0,0|1,0,0]=3 5141 B13R1.8919 C=CCCOc1c(cccc1Cl)C 34a_100000033731_100000754431 [1,1,0,0,0,0|2,0,0]=4 5142 B13R1.8919 C=CCCOc1c(cccc1Cl)C 7a_100000033731_100000754431 [1,1,0,0,0,0|2,0,0]=4 5143 B13R1.8919 C=CCCOc1c(cccc1F)C 34a_100011659162_100000754431 [1,1,0,0,0,0|2,0,0]=4 5144 B13R1.8919 C=CCCOc1c(cccc1F)C 7a_100011659162_100000754431 [1,1,0,0,0,0|2,0,0]=4 5145 B13R1.8919 C=CCCOc1c(cccc1N)C 34a_100000756359_100000754431 [1,1,0,0,0,0|2,0,0]=4 5146 B13R1.8919 C=CCCOc1c(cccc1N)C 7a_100000756359_100000754431 [1,1,0,0,0,0|2,0,0]=4 5147 B13R1.8919 C=CCCOc1c(ccnc1C)C 34a_100011934651_100000754431 [1,1,0,0,0,0|2,0,0]=4 5148 B13R1.8919 C=CCCOc1c(ccnc1C)C 7a_100011934651_100000754431 [1,1,0,0,0,0|2,0,0]=4 5149 B13R1.8919 C=CCCSc1c(cccc1C)C 62a_100000033847_100000754431 [1,1,0,0,0,0|1,1,0]=4 5150 B13R1.8919 C=CCCSc1c(cccc1C)C 62a_100000754431_100000033847 [1,1,0,0,0,0|1,1,0]=4 5151 B13R1.8919 C=CCNCc1c(cccc1C)C 2230a_100020586998_100000758300 [1,1,0,0,0,0|2,0,0]=4 5152 B13R1.8919 C=CCNCc1c(cccc1C)C 270004a_100020586998_100000758299 [1,1,0,0,0,0|2,0,0]=4 5153 B13R1.8919 C=CCNCc1c(cccc1C)C 34a_100000689800_100015514636 [1,1,0,0,0,0|2,0,0]=4 5154 B13R1.8919 C=CCOCc1c(cccc1Br)C 34a_200000210373_100010146847 [1,1,0,0,0,0|2,0,0]=4 5155 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_100011933981_100015514636 [1,1,0,0,0,0|1,0,0]=3 5156 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_200000210373_100000758300 [1,1,0,0,0,0|1,0,0]=3 5157 B13R1.8919 C=CCOCc1c(cccc1C)C 7a_100011933981_100015514636 [1,1,0,0,0,0|1,0,0]=3 5158 B13R1.8919 C=CCOCc1c(cccc1Cl)C 34a_100000082531_100015514636 [1,1,0,0,0,0|2,0,0]=4 5159 B13R1.8919 C=CCOCc1c(cccc1Cl)C 7a_100000082531_100015514636 [1,1,0,0,0,0|2,0,0]=4 5160 B13R1.8919 C=CCOCc1c(cccc1F)C 34a_100000057874_100015514636 [1,1,0,0,0,0|2,0,0]=4 5161 B13R1.8919 C=CCOCc1c(cccc1F)C 34a_200000210373_100009814554 [1,1,0,0,0,0|2,0,0]=4 5162 B13R1.8919 C=CCOCc1c(cccc1F)C 7a_100000057874_100015514636 [1,1,0,0,0,0|2,0,0]=4 5163 B13R1.8919 C=CCOCc1c(cccc1I)C 34a_200000210373_100010150146 [1,1,0,0,0,0|2,0,0]=4 5164 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000210623_100000758300 [1,1,0,0,0,0|1,1,0]=4 5165 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000758300_100000210623 [1,1,0,0,0,0|1,1,0]=4 5166 B13R1.8919 CC#CCOc1c(cccc1C)C 34a_100000210341_100000748600 [1,1,0,0,0,0|1,0,1]=4 5167 B13R1.8919 CC#CCOc1c(cccc1C)C 7a_100000210341_100000748600 [1,1,0,0,0,0|1,0,1]=4 5168 B13R1.8919 CC=CCNc1c(cccc1C)C 34a_100000185769_100000070051 [1,1,0,0,0,0|2,0,0]=4 5169 B13R1.8919 CC=CCOc1c(cccc1Br)C 34a_100009817157_100000070051 [1,1,0,0,0,0|2,0,0]=4 5170 B13R1.8919 CC=CCOc1c(cccc1Br)C 7a_100009817157_100000070051 [1,1,0,0,0,0|2,0,0]=4 5171 B13R1.8919 CC=CCOc1c(cccc1C)C 34a_100000210341_100000070051 [1,1,0,0,0,0|1,0,0]=3 5172 B13R1.8919 CC=CCOc1c(cccc1C)C 7a_100000210341_100000070051 [1,1,0,0,0,0|1,0,0]=3 5173 B13R1.8919 CC=CCOc1c(cccc1Cl)C 34a_100000033731_100000070051 [1,1,0,0,0,0|2,0,0]=4 5174 B13R1.8919 CC=CCOc1c(cccc1Cl)C 7a_100000033731_100000070051 [1,1,0,0,0,0|2,0,0]=4 5175 B13R1.8919 CC=CCOc1c(cccc1F)C 34a_100011659162_100000070051 [1,1,0,0,0,0|2,0,0]=4 5176 B13R1.8919 CC=CCOc1c(cccc1F)C 7a_100011659162_100000070051 [1,1,0,0,0,0|2,0,0]=4 5177 B13R1.8919 CC=CCOc1c(cccc1N)C 34a_100000756359_100000070051 [1,1,0,0,0,0|2,0,0]=4 5178 B13R1.8919 CC=CCOc1c(cccc1N)C 7a_100000756359_100000070051 [1,1,0,0,0,0|2,0,0]=4 5179 B13R1.8919 CC=CCOc1c(ccnc1C)C 34a_100011934651_100000070051 [1,1,0,0,0,0|2,0,0]=4 5180 B13R1.8919 CC=CCOc1c(ccnc1C)C 7a_100011934651_100000070051 [1,1,0,0,0,0|2,0,0]=4 5181 B13R1.8919 CC=CCSc1c(cccc1C)C 62a_100000033847_100000070051 [1,1,0,0,0,0|1,1,0]=4 5182 B13R1.8919 CC=CCSc1c(cccc1C)C 62a_100000070051_100000033847 [1,1,0,0,0,0|1,1,0]=4 5183 B13R1.8919 CCCCOc1c(cccc1C)C 34a_100000210341_100000210210 [1,1,0,0,0,0|1,0,1]=4 5184 B13R1.8919 CCCCOc1c(cccc1C)C 7a_100000210341_100000210211 [1,1,0,0,0,0|1,0,1]=4 5185 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100000210258_100000758300 [1,1,0,0,0,0|1,0,1]=4 5186 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100011933981_100000210303 [1,1,0,0,0,0|1,0,1]=4 5187 B13R1.8919 CCCOCc1c(cccc1C)C 7a_100011933981_100000210303 [1,1,0,0,0,0|1,0,1]=4 5188 B13R1.8919 CNCCOc1c(cccc1C)C 2230a_100000740230_200000210301 [1,1,0,0,0,0|1,0,1]=4 5189 B13R1.8919 CNCCOc1c(cccc1C)C 2230a_106832991635_100000184555 [1,1,0,0,0,0|1,0,1]=4 5190 B13R1.8919 CNCCOc1c(cccc1C)C 34a_100000740230_200000210301 [1,1,0,0,0,0|1,0,1]=4 5191 B13R1.8919 CNCCOc1c(cccc1C)C 34a_100102657272_100000184555 [1,1,0,0,0,0|1,0,1]=4 5192 B13R1.8919 CNCCOc1c(cccc1C)C 7a_106832991635_100000184555 [1,1,0,0,0,0|1,0,1]=4 5193 B13R1.8919 COCCNc1c(cccc1C)C 34a_100000185769_100011201679 [1,1,0,0,0,0|1,0,1]=4 5194 B13R1.8919 COCCOc1c(cccc1Br)C 34a_100009817157_100011201679 [1,1,0,0,0,0|1,0,1]=4 5195 B13R1.8919 COCCOc1c(cccc1Br)C 7a_100009817157_100000233755 [1,1,0,0,0,0|1,0,1]=4 5196 B13R1.8919 COCCOc1c(cccc1C)C 34a_100000210341_100011201679 [1,1,0,0,0,0|0,0,1]=3 5197 B13R1.8919 COCCOc1c(cccc1C)C 34a_100138415774_100000184555 [1,1,0,0,0,0|0,0,1]=3 5198 B13R1.8919 COCCOc1c(cccc1C)C 7a_100000210341_100000233755 [1,1,0,0,0,0|0,0,1]=3 5199 B13R1.8919 COCCOc1c(cccc1Cl)C 34a_100000033731_100011201679 [1,1,0,0,0,0|1,0,1]=4 5200 B13R1.8919 COCCOc1c(cccc1Cl)C 7a_100000033731_100000233755 [1,1,0,0,0,0|1,0,1]=4 5201 B13R1.8919 COCCOc1c(cccc1F)C 34a_100011659162_100011201679 [1,1,0,0,0,0|1,0,1]=4 5202 B13R1.8919 COCCOc1c(cccc1F)C 7a_100011659162_100000233755 [1,1,0,0,0,0|1,0,1]=4 5203 B13R1.8919 COCCOc1c(cccc1N)C 34a_100000756359_100011201679 [1,1,0,0,0,0|1,0,1]=4 5204 B13R1.8919 COCCOc1c(cccc1N)C 7a_100000756359_100000233755 [1,1,0,0,0,0|1,0,1]=4 5205 B13R1.8919 COCCOc1c(ccnc1C)C 34a_100011934651_100011201679 [1,1,0,0,0,0|1,0,1]=4 5206 B13R1.8919 COCCOc1c(ccnc1C)C 7a_100011934651_100000233755 [1,1,0,0,0,0|1,0,1]=4 5207 B13R1.8919 COCCSc1c(cccc1C)C 34a_200000080753_200000210301 [1,1,0,0,0,0|0,1,1]=4 5208 B13R1.8919 COCCSc1c(cccc1C)C 62a_100000033847_100000233755 [1,1,0,0,0,0|0,1,1]=4 5209 B13R1.8919 COCCSc1c(cccc1C)C 62a_100000233755_100000033847 [1,1,0,0,0,0|0,1,1]=4 5210 B13R1.8919 COCCSc1c(cccc1C)C 7a_200000080753_200000210301 [1,1,0,0,0,0|0,1,1]=4 5211 B13R1.8919 CSCCOc1c(cccc1C)C 34a_100000210341_100000212216 [1,1,0,0,0,0|0,1,1]=4 5212 B13R1.8919 CSCCOc1c(cccc1C)C 62a_100000184555_200000210301 [1,1,0,0,0,0|0,1,1]=4 5213 B13R1.8919 CSCCOc1c(cccc1C)C 62a_200000210301_100000184555 [1,1,0,0,0,0|0,1,1]=4 5214 B13R1.8919 CSCCOc1c(cccc1C)C 7a_100000210341_100000212216 [1,1,0,0,0,0|0,1,1]=4 5215 B13R1.8919 CSCOCc1c(cccc1C)C 34a_100011933981_100011218213 [1,1,0,0,0,0|2,0,0]=4 5216 B13R1.8919 Cc1cccc(c1CNCC=O)C 34a_100000689800_200009817547 [1,1,0,0,0,0|1,0,0]=3 5217 B13R1.8919 Cc1cccc(c1CNCC=O)F 34a_100000762012_200009817547 [1,1,0,0,0,0|2,0,0]=4 5218 B13R1.8919 Cc1cccc(c1CNCCO)C 207a_100000210304_100000758299 [1,1,0,0,0,0|1,0,1]=4 5219 B13R1.8919 Cc1cccc(c1CNCCO)C 2230a_100016997473_100000758300 [1,1,0,0,0,0|1,0,1]=4 5220 B13R1.8919 Cc1cccc(c1CNCCO)C 270004a_100000210304_100000758299 [1,1,0,0,0,0|1,0,1]=4 5221 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100000689800_100000211926 [1,1,0,0,0,0|1,0,1]=4 5222 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100016990907_100000758300 [1,1,0,0,0,0|1,0,1]=4 5223 B13R1.8919 Cc1cccc(c1COCC#N)C 7a_100011933981_100011215382 [1,1,0,0,0,0|1,0,1]=4 5224 B13R1.8919 Cc1cccc(c1COCC=O)C 34a_100011933981_200009817547 [1,1,0,0,0,0|0,0,0]=2 5225 B13R1.8919 Cc1cccc(c1COCC=O)C 7a_100011933981_200015260668 [1,1,0,0,0,0|0,0,0]=2 5226 B13R1.8919 Cc1cccc(c1COCC=O)Cl 34a_100000082531_200009817547 [1,1,0,0,0,0|1,0,0]=3 5227 B13R1.8919 Cc1cccc(c1COCC=O)Cl 7a_100000082531_200015260668 [1,1,0,0,0,0|1,0,0]=3 5228 B13R1.8919 Cc1cccc(c1COCC=O)F 34a_100000057874_200009817547 [1,1,0,0,0,0|1,0,0]=3 5229 B13R1.8919 Cc1cccc(c1COCC=O)F 7a_100000057874_200015260668 [1,1,0,0,0,0|1,0,0]=3 5230 B13R1.8919 Cc1cccc(c1COCCBr)C 34a_100000211926_100000758300 [1,1,0,0,0,0|1,0,1]=4 5231 B13R1.8919 Cc1cccc(c1COCCF)C 34a_100011933981_100011217306 [1,1,0,0,0,0|1,0,1]=4 5232 B13R1.8919 Cc1cccc(c1COCCF)C 7a_100011933981_100011217306 [1,1,0,0,0,0|1,0,1]=4 5233 B13R1.8919 Cc1cccc(c1COCCN)C 34a_100000210304_100000758300 [1,1,0,0,0,0|1,0,1]=4 5234 B13R1.8919 Cc1cccc(c1COCCO)C 34a_100011933981_100000211926 [1,1,0,0,0,0|0,0,1]=3 5235 B13R1.8919 Cc1cccc(c1COCCO)C 7a_100011933981_100000211926 [1,1,0,0,0,0|0,0,1]=3 5236 B13R1.8919 Cc1cccc(c1COCCO)Cl 34a_100000082531_100000211926 [1,1,0,0,0,0|1,0,1]=4 5237 B13R1.8919 Cc1cccc(c1COCCO)Cl 7a_100000082531_100000211926 [1,1,0,0,0,0|1,0,1]=4 5238 B13R1.8919 Cc1cccc(c1COCCO)F 34a_100000057874_100000211926 [1,1,0,0,0,0|1,0,1]=4 5239 B13R1.8919 Cc1cccc(c1COCCO)F 7a_100000057874_100000211926 [1,1,0,0,0,0|1,0,1]=4 5240 B13R1.8919 Cc1cccc(c1CSCC=O)Br 62a_100010146847_200015260668 [1,1,0,0,0,0|1,1,0]=4 5241 B13R1.8919 Cc1cccc(c1CSCC=O)Br 62a_200015260668_100010146847 [1,1,0,0,0,0|1,1,0]=4 5242 B13R1.8919 Cc1cccc(c1CSCC=O)C 62a_100000758300_200015260668 [1,1,0,0,0,0|0,1,0]=3 5243 B13R1.8919 Cc1cccc(c1CSCC=O)C 62a_200015260668_100000758300 [1,1,0,0,0,0|0,1,0]=3 5244 B13R1.8919 Cc1cccc(c1CSCC=O)F 62a_100009814554_200015260668 [1,1,0,0,0,0|1,1,0]=4 5245 B13R1.8919 Cc1cccc(c1CSCC=O)F 62a_200015260668_100009814554 [1,1,0,0,0,0|1,1,0]=4 5246 B13R1.8919 Cc1cccc(c1CSCC=O)I 62a_100010150146_200015260668 [1,1,0,0,0,0|1,1,0]=4 5247 B13R1.8919 Cc1cccc(c1CSCC=O)I 62a_200015260668_100010150146 [1,1,0,0,0,0|1,1,0]=4 5248 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000211926_100000758300 [1,1,0,0,0,0|0,1,1]=4 5249 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000758300_100000211926 [1,1,0,0,0,0|0,1,1]=4 5250 B13R1.8919 Cc1cccc(c1NCCCO)C 34a_100000185769_100000230001 [1,1,0,0,0,0|1,0,1]=4 5251 B13R1.8919 Cc1cccc(c1OCCC#N)C 7a_100000210341_100000184422 [1,1,0,0,0,0|1,0,1]=4 5252 B13R1.8919 Cc1cccc(c1OCCCF)C 34a_100000210341_100011934791 [1,1,0,0,0,0|1,0,1]=4 5253 B13R1.8919 Cc1cccc(c1OCCCF)C 7a_100000210341_100011934791 [1,1,0,0,0,0|1,0,1]=4 5254 B13R1.8919 Cc1cccc(c1OCCCO)Br 34a_100009817157_100000230001 [1,1,0,0,0,0|1,0,1]=4 5255 B13R1.8919 Cc1cccc(c1OCCCO)Br 7a_100009817157_100011215043 [1,1,0,0,0,0|1,0,1]=4 5256 B13R1.8919 Cc1cccc(c1OCCCO)C 34a_100000210341_100000230001 [1,1,0,0,0,0|0,0,1]=3 5257 B13R1.8919 Cc1cccc(c1OCCCO)C 7a_100000210341_100011215043 [1,1,0,0,0,0|0,0,1]=3 5258 B13R1.8919 Cc1cccc(c1OCCCO)Cl 34a_100000033731_100000230001 [1,1,0,0,0,0|1,0,1]=4 5259 B13R1.8919 Cc1cccc(c1OCCCO)Cl 7a_100000033731_100011215043 [1,1,0,0,0,0|1,0,1]=4 5260 B13R1.8919 Cc1cccc(c1OCCCO)F 34a_100011659162_100000230001 [1,1,0,0,0,0|1,0,1]=4 5261 B13R1.8919 Cc1cccc(c1OCCCO)F 7a_100011659162_100011215043 [1,1,0,0,0,0|1,0,1]=4 5262 B13R1.8919 Cc1cccc(c1OCCCO)N 34a_100000756359_100000230001 [1,1,0,0,0,0|1,0,1]=4 5263 B13R1.8919 Cc1cccc(c1OCCCO)N 7a_100000756359_100011215043 [1,1,0,0,0,0|1,0,1]=4 5264 B13R1.8919 Cc1cccc(c1OCCN[13CH3])C 2230a_100000740230_200025704644 [1,1,0,0,0,0|1,0,1]=4 5265 B13R1.8919 Cc1cccc(c1OCCN[13CH3])C 34a_100000740230_200025704644 [1,1,0,0,0,0|1,0,1]=4 5266 B13R1.8919 Cc1cccc(c1OCCS[13CH3])C 62a_100000184555_200025704644 [1,1,0,0,0,0|0,1,1]=4 5267 B13R1.8919 Cc1cccc(c1OCCS[13CH3])C 62a_200025704644_100000184555 [1,1,0,0,0,0|0,1,1]=4 5268 B13R1.8919 Cc1cccc(c1SCCCO)C 62a_100000033847_100011215043 [1,1,0,0,0,0|0,1,1]=4 5269 B13R1.8919 Cc1cccc(c1SCCCO)C 62a_100011215043_100000033847 [1,1,0,0,0,0|0,1,1]=4 5270 B13R1.8919 Cc1cccc(c1SCCO[13CH3])C 34a_200000080753_200025704644 [1,1,0,0,0,0|0,1,1]=4 5271 B13R1.8919 Cc1cccc(c1SCCO[13CH3])C 7a_200000080753_200025704644 [1,1,0,0,0,0|0,1,1]=4 5272 B13R1.8919 Cc1ccnc(c1OCCCO)C 34a_100011934651_100000230001 [1,1,0,0,0,0|1,0,1]=4 5273 B13R1.8919 Cc1ccnc(c1OCCCO)C 7a_100011934651_100011215043 [1,1,0,0,0,0|1,0,1]=4 5274 B13R1.8919 Nc1cccc(c1COCC=O)Br 34a_100000747656_200009817547 [1,1,0,0,0,0|2,0,0]=4 5275 B13R1.8919 Nc1cccc(c1COCC=O)Cl 34a_100011916388_200009817547 [1,1,0,0,0,0|2,0,0]=4 5276 B13R1.8919 Nc1cccc(c1COCC=O)F 34a_100011846719_200009817547 [1,1,0,0,0,0|2,0,0]=4 5277 B13R1.8919 O=CCOCc1c(cccc1Br)Br 34a_100010172814_200009817547 [1,1,0,0,0,0|2,0,0]=4 5278 B13R1.8919 O=CCOCc1c(cccc1Br)Br 7a_100010172814_200015260668 [1,1,0,0,0,0|2,0,0]=4 5279 B13R1.8919 O=CCOCc1c(cccc1Br)F 34a_100012355691_200009817547 [1,1,0,0,0,0|2,0,0]=4 5280 B13R1.8919 O=CCOCc1c(cccc1Br)F 7a_100012355691_200015260668 [1,1,0,0,0,0|2,0,0]=4 5281 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 34a_100000215722_200009817547 [1,1,0,0,0,0|2,0,0]=4 5282 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 7a_100000215722_200015260668 [1,1,0,0,0,0|2,0,0]=4 5283 B13R1.8919 O=CCOCc1c(cccc1Cl)F 34a_100000215723_200009817547 [1,1,0,0,0,0|2,0,0]=4 5284 B13R1.8919 O=CCOCc1c(cccc1Cl)F 7a_100000215723_200015260668 [1,1,0,0,0,0|2,0,0]=4 5285 B13R1.8919 O=CCOCc1c(cccc1F)F 34a_100000698215_200009817547 [1,1,0,0,0,0|2,0,0]=4 5286 B13R1.8919 O=CCOCc1c(cccc1F)F 7a_100000698215_200015260668 [1,1,0,0,0,0|2,0,0]=4 5287 B13R1.8919 O=CCOCc1c(cccc1I)F 34a_100010214973_200009817547 [1,1,0,0,0,0|2,0,0]=4 5288 B13R1.8919 O=CCOCc1c(cccc1I)F 7a_100010214973_200015260668 [1,1,0,0,0,0|2,0,0]=4 5289 B13R1.2042 COC(=O)COc1c(n[nH]c1C)C 34a_100012186652_100000747449 [0,1,0,0,1,0|2,0,0]=4 5290 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 11a_200010074581_100015343762 [0,1,0,0,1,0|2,0,0]=4 5291 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 1626a_200010074581_100015343762 [0,1,0,0,1,0|2,0,0]=4 5292 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 22a_200010074581_100000070787 [0,1,0,0,1,0|2,0,0]=4 5293 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 11a_100000117417_100015343762 [0,1,0,0,1,0|2,0,0]=4 5294 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 1626a_100000117417_100015343762 [0,1,0,0,1,0|2,0,0]=4 5295 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 22a_100000117417_100000070787 [0,1,0,0,1,0|2,0,0]=4 5296 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 11a_200020642106_100015343762 [0,1,0,0,1,0|2,0,0]=4 5297 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 1626a_200020642106_100015343762 [0,1,0,0,1,0|2,0,0]=4 5298 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 11a_200010115591_100015343762 [0,1,0,0,1,0|2,0,0]=4 5299 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 1626a_200010115591_100015343762 [0,1,0,0,1,0|2,0,0]=4 5300 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 22a_200010115591_100000070787 [0,1,0,0,1,0|2,0,0]=4 5301 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [0,1,0,0,1,0|2,0,0]=4 5302 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 34a_100000103797_200025704644 [0,1,0,0,1,0|2,0,0]=4 5303 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 7a_100000103797_200025704644 [0,1,0,0,1,0|2,0,0]=4 5304 B13R1.2135 CCc1cccc(c1NC(=O)C)C 11a_100000210048_100015343762 [0,1,0,0,1,0|2,0,0]=4 5305 B13R1.2135 CCc1cccc(c1NC(=O)C)C 1626a_100000210048_100015343762 [0,1,0,0,1,0|2,0,0]=4 5306 B13R1.2135 CCc1cccc(c1NC(=O)C)C 22a_100000210048_100000070787 [0,1,0,0,1,0|2,0,0]=4 5307 B13R1.2135 COc1cccc(c1CC(=O)C)Cl 1458a_100000070787_100012349678 [0,1,0,0,1,0|2,0,0]=4 5308 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100000070787_100011216731 [0,1,0,0,1,0|2,0,0]=4 5309 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100011216732_200000210301 [0,1,0,0,1,0|2,0,0]=4 5310 B13R1.2135 COc1cccc(c1CC(=O)[13CH3])F 1458a_100011216732_200025704644 [0,1,0,0,1,0|2,0,0]=4 5311 B13R1.2135 COc1cccc(c1NC(=O)C)C 11a_100000758225_100015343762 [0,1,0,0,1,0|2,0,0]=4 5312 B13R1.2135 COc1cccc(c1NC(=O)C)C 1626a_100000758225_100015343762 [0,1,0,0,1,0|2,0,0]=4 5313 B13R1.2135 COc1cccc(c1NC(=O)C)C 22a_100000758225_100000070787 [0,1,0,0,1,0|2,0,0]=4 5314 B13R1.2135 COc1cccc(c1NC(=O)C)C 34a_100000103797_200000210301 [0,1,0,0,1,0|2,0,0]=4 5315 B13R1.2135 COc1cccc(c1NC(=O)C)C 7a_100000103797_200000210301 [0,1,0,0,1,0|2,0,0]=4 5316 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000070787_100000749405 [0,1,0,0,1,0|1,0,0]=3 5317 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000696705_200000210301 [0,1,0,0,1,0|1,0,0]=3 5318 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Br)C 11a_100000737279_100015343762 [0,1,0,0,1,0|2,0,0]=4 5319 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Br)C 1626a_100000737279_100015343762 [0,1,0,0,1,0|2,0,0]=4 5320 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 11a_100000210045_100015343762 [0,1,0,0,1,0|2,0,0]=4 5321 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 1626a_100000210045_100015343762 [0,1,0,0,1,0|2,0,0]=4 5322 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 22a_100000210045_100000070787 [0,1,0,0,1,0|2,0,0]=4 5323 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 11a_100000692879_100015343762 [0,1,0,0,1,0|2,0,0]=4 5324 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 1626a_100000692879_100015343762 [0,1,0,0,1,0|2,0,0]=4 5325 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 22a_100000692879_100000070787 [0,1,0,0,1,0|2,0,0]=4 5326 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 11a_100011290887_100015343762 [0,1,0,0,1,0|2,0,0]=4 5327 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 1626a_100011290887_100015343762 [0,1,0,0,1,0|2,0,0]=4 5328 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 22a_100011290887_100000070787 [0,1,0,0,1,0|2,0,0]=4 5329 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 11a_100011356821_100015343762 [0,1,0,0,1,0|2,0,0]=4 5330 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 1626a_100011356821_100015343762 [0,1,0,0,1,0|2,0,0]=4 5331 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 22a_100011356821_100000070787 [0,1,0,0,1,0|2,0,0]=4 5332 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 22a_100011934200_100000070787 [0,1,0,0,1,0|2,0,0]=4 5333 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 527a_100011934200_100103153847 [0,1,0,0,1,0|2,0,0]=4 5334 B13R1.2808 CC(=O)Oc1c(cc(cc1C)O)C 271570a_203496583355_200009816532 [0,1,0,0,1,0|1,0,0]=3 5335 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)[13CH3])C 1458a_100000696705_200025704644 [0,1,0,0,1,0|1,0,0]=3 5336 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 11a_100011645471_100015343762 [0,1,0,0,1,0|2,0,0]=4 5337 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 1626a_100011645471_100015343762 [0,1,0,0,1,0|2,0,0]=4 5338 B15R1.1575 C=C(C)CCOc1c(cccc1CC)C 34a_100000034007_100000730704 [0,1,0,0,0,1|2,0,0]=4 5339 B15R1.1575 C=C(C)CCOc1c(cccc1CC)C 7a_100000034007_100000730704 [0,1,0,0,0,1|2,0,0]=4 5340 B15R1.1575 C=C(C)CCOc1c(cccc1CN)C 34a_100020639391_100000730704 [0,1,0,0,0,1|2,0,0]=4 5341 B15R1.1575 C=C(C)CCOc1c(cccc1OC)C 34a_100011219253_100000730704 [0,1,0,0,0,1|2,0,0]=4 5342 B15R1.1575 C=C(C)CCOc1c(cccc1OC)C 7a_100011219253_100000730704 [0,1,0,0,0,1|2,0,0]=4 5343 B15R1.1575 CC(=CCOc1c(cccc1CN)C)C 34a_100020639391_100000761012 [0,1,0,0,0,1|2,0,0]=4 5344 B15R1.1575 CC(=O)CCOc1c(cccc1C#N)C 7a_100011659161_100000053229 [0,1,0,0,0,1|1,0,1]=4 5345 B15R1.1575 CC(=O)CCOc1c(cccc1CO)F 7a_100011997349_100000053229 [0,1,0,0,0,1|2,0,0]=4 5346 B15R1.1575 CC(=O)CCSc1c(cccc1CO)C 62a_100000053229_100011659289 [0,1,0,0,0,1|1,1,0]=4 5347 B15R1.1575 CC(=O)CCSc1c(cccc1CO)C 62a_100011659289_100000053229 [0,1,0,0,0,1|1,1,0]=4 5348 B15R1.1575 CC(=O)OCNc1c(cccc1CO)C 34a_100011215590_100009813279 [0,1,0,0,0,1|2,0,0]=4 5349 B15R1.1575 CC(=O)OCOc1c(cccc1C#N)C 34a_100011659161_100009813279 [0,1,0,0,0,1|1,0,1]=4 5350 B15R1.1575 CC(=O)OCOc1c(cccc1CN)C 34a_100020639391_100009813279 [0,1,0,0,0,1|1,0,0]=3 5351 B15R1.1575 CC(=O)OCOc1c(cccc1CO)F 34a_100011997349_100009813279 [0,1,0,0,0,1|2,0,0]=4 5352 B15R1.1575 CC(=O)OCSc1c(cccc1CO)C 62a_100000076356_100011659289 [0,1,0,0,0,1|1,1,0]=4 5353 B15R1.1575 CC(=O)OCSc1c(cccc1CO)C 62a_100011659289_100000076356 [0,1,0,0,0,1|1,1,0]=4 5354 B15R1.1575 CCc1cccc(c1NCCC(=O)C)C 7a_100000210048_100000053229 [0,1,0,0,0,1|2,0,0]=4 5355 B15R1.1575 CCc1cccc(c1NCCC(=O)N)C 2230a_100000210048_100000744528 [0,1,0,0,0,1|2,0,0]=4 5356 B15R1.1575 CCc1cccc(c1NCCC(=O)N)C 34a_100000210048_100000731001 [0,1,0,0,0,1|2,0,0]=4 5357 B15R1.1575 CCc1cccc(c1NCCC(=O)N)C 7a_100000210048_100000744528 [0,1,0,0,0,1|2,0,0]=4 5358 B15R1.1575 CCc1cccc(c1NCOC(=O)C)C 34a_100000210048_100009813279 [0,1,0,0,0,1|2,0,0]=4 5359 B15R1.1575 CCc1cccc(c1OCC=C(C)C)C 34a_100000034007_100000761012 [0,1,0,0,0,1|2,0,0]=4 5360 B15R1.1575 CCc1cccc(c1OCC=C(C)C)C 7a_100000034007_100000761012 [0,1,0,0,0,1|2,0,0]=4 5361 B15R1.1575 CCc1cccc(c1OCCC(=O)C)Br 7a_200010001580_100000053229 [0,1,0,0,0,1|2,0,0]=4 5362 B15R1.1575 CCc1cccc(c1OCCC(=O)C)C 7a_100000034007_100000053229 [0,1,0,0,0,1|1,0,0]=3 5363 B15R1.1575 CCc1cccc(c1OCCC(=O)N)Br 34a_200010001580_100000731001 [0,1,0,0,0,1|2,0,0]=4 5364 B15R1.1575 CCc1cccc(c1OCCC(=O)N)Br 7a_200010001580_100000744528 [0,1,0,0,0,1|2,0,0]=4 5365 B15R1.1575 CCc1cccc(c1OCCC(=O)N)C 34a_100000034007_100000731001 [0,1,0,0,0,1|1,0,0]=3 5366 B15R1.1575 CCc1cccc(c1OCCC(=O)N)C 7a_100000034007_100000744528 [0,1,0,0,0,1|1,0,0]=3 5367 B15R1.1575 CCc1cccc(c1OCCC(C)O)C 34a_100000034007_100012276601 [0,1,0,0,0,1|1,0,1]=4 5368 B15R1.1575 CCc1cccc(c1OCCC(C)O)C 7a_100000034007_100012276601 [0,1,0,0,0,1|1,0,1]=4 5369 B15R1.1575 CCc1cccc(c1OCOC(=O)C)Br 34a_200010001580_100009813279 [0,1,0,0,0,1|2,0,0]=4 5370 B15R1.1575 CCc1cccc(c1OCOC(=O)C)C 34a_100000034007_100009813279 [0,1,0,0,0,1|1,0,0]=3 5371 B15R1.1575 CCc1cccc(c1SCCC(=O)C)C 62a_100000036235_100000053229 [0,1,0,0,0,1|1,1,0]=4 5372 B15R1.1575 CCc1cccc(c1SCCC(=O)C)C 62a_100000053229_100000036235 [0,1,0,0,0,1|1,1,0]=4 5373 B15R1.1575 CCc1cccc(c1SCCC(=O)N)C 62a_100000036235_100000744528 [0,1,0,0,0,1|1,1,0]=4 5374 B15R1.1575 CCc1cccc(c1SCCC(=O)N)C 62a_100000744528_100000036235 [0,1,0,0,0,1|1,1,0]=4 5375 B15R1.1575 CCc1cccc(c1SCOC(=O)C)C 62a_100000036235_100000076356 [0,1,0,0,0,1|1,1,0]=4 5376 B15R1.1575 CCc1cccc(c1SCOC(=O)C)C 62a_100000076356_100000036235 [0,1,0,0,0,1|1,1,0]=4 5377 B15R1.1575 COc1cccc(c1CNCC(=O)O)Cl 269956a_100016091260_100012349678 [0,1,0,0,0,1|2,0,0]=4 5378 B15R1.1575 COc1cccc(c1CNCC(=O)O)F 269956a_100016091260_100011216731 [0,1,0,0,0,1|2,0,0]=4 5379 B15R1.1575 COc1cccc(c1COCC(=O)C)Cl 34a_100000211253_100012349678 [0,1,0,0,0,1|2,0,0]=4 5380 B15R1.1575 COc1cccc(c1COCC(=O)C)F 34a_100000211253_100011216731 [0,1,0,0,0,1|2,0,0]=4 5381 B15R1.1575 COc1cccc(c1COCC(=O)N)F 34a_100011216733_100000187820 [0,1,0,0,0,1|2,0,0]=4 5382 B15R1.1575 COc1cccc(c1COCC(=O)N)F 7a_100011216733_100000187820 [0,1,0,0,0,1|2,0,0]=4 5383 B15R1.1575 COc1cccc(c1COCC(=O)[O-])F 34a_100011216733_100020667443 [0,1,0,0,0,1|1,0,1]=4 5384 B15R1.1575 COc1cccc(c1NCCC(=O)N)C 2230a_100000758225_100000744528 [0,1,0,0,0,1|2,0,0]=4 5385 B15R1.1575 COc1cccc(c1NCCC(=O)N)C 34a_100000758225_100000731001 [0,1,0,0,0,1|2,0,0]=4 5386 B15R1.1575 COc1cccc(c1NCOC(=O)C)C 34a_100000758225_100009813279 [0,1,0,0,0,1|2,0,0]=4 5387 B15R1.1575 COc1cccc(c1OCC=C(C)C)C 34a_100011219253_100000761012 [0,1,0,0,0,1|2,0,0]=4 5388 B15R1.1575 COc1cccc(c1OCC=C(C)C)C 7a_100011219253_100000761012 [0,1,0,0,0,1|2,0,0]=4 5389 B15R1.1575 COc1cccc(c1OCCC(=O)C)C 7a_100011219253_100000053229 [0,1,0,0,0,1|1,0,0]=3 5390 B15R1.1575 COc1cccc(c1OCCC(=O)C)Cl 7a_100009851661_100000053229 [0,1,0,0,0,1|2,0,0]=4 5391 B15R1.1575 COc1cccc(c1OCCC(=O)C)F 7a_100000036725_100000053229 [0,1,0,0,0,1|2,0,0]=4 5392 B15R1.1575 COc1cccc(c1OCCC(=O)N)Br 34a_100000686866_100000731001 [0,1,0,0,0,1|2,0,0]=4 5393 B15R1.1575 COc1cccc(c1OCCC(=O)N)C 34a_100011219253_100000731001 [0,1,0,0,0,1|1,0,0]=3 5394 B15R1.1575 COc1cccc(c1OCCC(=O)N)C 7a_100011219253_100000744528 [0,1,0,0,0,1|1,0,0]=3 5395 B15R1.1575 COc1cccc(c1OCCC(=O)N)Cl 34a_100009851661_100000731001 [0,1,0,0,0,1|2,0,0]=4 5396 B15R1.1575 COc1cccc(c1OCCC(=O)N)Cl 7a_100009851661_100000744528 [0,1,0,0,0,1|2,0,0]=4 5397 B15R1.1575 COc1cccc(c1OCCC(=O)N)F 34a_100000036725_100000731001 [0,1,0,0,0,1|2,0,0]=4 5398 B15R1.1575 COc1cccc(c1OCCC(=O)N)F 7a_100000036725_100000744528 [0,1,0,0,0,1|2,0,0]=4 5399 B15R1.1575 COc1cccc(c1OCCC(=O)N)N 34a_100000123586_100000731001 [0,1,0,0,0,1|2,0,0]=4 5400 B15R1.1575 COc1cccc(c1OCCC(C)O)C 34a_100011219253_100012276601 [0,1,0,0,0,1|1,0,1]=4 5401 B15R1.1575 COc1cccc(c1OCCC(C)O)C 7a_100011219253_100012276601 [0,1,0,0,0,1|1,0,1]=4 5402 B15R1.1575 COc1cccc(c1OCOC(=O)C)Br 34a_100000686866_100009813279 [0,1,0,0,0,1|2,0,0]=4 5403 B15R1.1575 COc1cccc(c1OCOC(=O)C)C 34a_100011219253_100009813279 [0,1,0,0,0,1|1,0,0]=3 5404 B15R1.1575 COc1cccc(c1OCOC(=O)C)Cl 34a_100009851661_100009813279 [0,1,0,0,0,1|2,0,0]=4 5405 B15R1.1575 COc1cccc(c1OCOC(=O)C)F 34a_100000036725_100009813279 [0,1,0,0,0,1|2,0,0]=4 5406 B15R1.1575 COc1cccc(c1OCOC(=O)C)N 34a_100000123586_100009813279 [0,1,0,0,0,1|2,0,0]=4 5407 B15R1.1575 COc1cccc(c1SCCC(=O)C)C 62a_100000053229_100010191535 [0,1,0,0,0,1|1,1,0]=4 5408 B15R1.1575 COc1cccc(c1SCCC(=O)C)C 62a_100010191535_100000053229 [0,1,0,0,0,1|1,1,0]=4 5409 B15R1.1575 COc1cccc(c1SCCC(=O)N)C 62a_100000744528_100010191535 [0,1,0,0,0,1|1,1,0]=4 5410 B15R1.1575 COc1cccc(c1SCCC(=O)N)C 62a_100010191535_100000744528 [0,1,0,0,0,1|1,1,0]=4 5411 B15R1.1575 COc1cccc(c1SCOC(=O)C)C 62a_100000076356_100010191535 [0,1,0,0,0,1|1,1,0]=4 5412 B15R1.1575 COc1cccc(c1SCOC(=O)C)C 62a_100010191535_100000076356 [0,1,0,0,0,1|1,1,0]=4 5413 B15R1.1575 Cc1cccc(c1NCCC(=O)N)CO 34a_100011215590_100000731001 [0,1,0,0,0,1|2,0,0]=4 5414 B15R1.1575 Cc1cccc(c1OCCC(=O)N)C#N 34a_100011659161_100000731001 [0,1,0,0,0,1|1,0,1]=4 5415 B15R1.1575 Cc1cccc(c1OCCC(=O)N)C#N 7a_100011659161_100000744528 [0,1,0,0,0,1|1,0,1]=4 5416 B15R1.1575 Cc1cccc(c1OCCC(=O)N)CN 34a_100020639391_100000731001 [0,1,0,0,0,1|1,0,0]=3 5417 B15R1.1575 Cc1cccc(c1OCCC(C)O)CN 34a_100020639391_100012276601 [0,1,0,0,0,1|1,0,1]=4 5418 B15R1.1575 Cc1cccc(c1SCCC(=O)N)CO 62a_100000744528_100011659289 [0,1,0,0,0,1|1,1,0]=4 5419 B15R1.1575 Cc1cccc(c1SCCC(=O)N)CO 62a_100011659289_100000744528 [0,1,0,0,0,1|1,1,0]=4 5420 B15R1.1575 NC(=O)CCOc1c(cccc1CO)F 34a_100011997349_100000731001 [0,1,0,0,0,1|2,0,0]=4 5421 B15R1.1575 NC(=O)CCOc1c(cccc1CO)F 7a_100011997349_100000744528 [0,1,0,0,0,1|2,0,0]=4 5422 B15R1.6616 CC(=O)C(=O)CNc1c(cccc1C)C 34a_100000185769_100011261029 [0,1,0,0,0,1|2,0,0]=4 5423 B15R1.6616 CC(=O)C(=O)COc1c(cccc1Br)C 34a_100009817157_100011261029 [0,1,0,0,0,1|2,0,0]=4 5424 B15R1.6616 CC(=O)C(=O)COc1c(cccc1C)C 34a_100000210341_100011261029 [0,1,0,0,0,1|1,0,0]=3 5425 B15R1.6616 CC(=O)C(=O)COc1c(cccc1Cl)C 34a_100000033731_100011261029 [0,1,0,0,0,1|2,0,0]=4 5426 B15R1.6616 CC(=O)C(=O)COc1c(cccc1F)C 34a_100011659162_100011261029 [0,1,0,0,0,1|2,0,0]=4 5427 B15R1.6616 CC(=O)C(=O)COc1c(cccc1N)C 34a_100000756359_100011261029 [0,1,0,0,0,1|2,0,0]=4 5428 B15R1.6616 CC(=O)C(=O)COc1c(ccnc1C)C 34a_100011934651_100011261029 [0,1,0,0,0,1|2,0,0]=4 5429 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1C)C 62a_100000033847_100011261029 [0,1,0,0,0,1|1,1,0]=4 5430 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1C)C 62a_100011261029_100000033847 [0,1,0,0,0,1|1,1,0]=4 5431 B15R1.6616 CC(=O)C(C)OCc1c(cccc1Br)C 34a_100000212229_100010146847 [0,1,0,0,0,1|2,0,0]=4 5432 B15R1.6616 CC(=O)C(C)OCc1c(cccc1C)C 34a_100000212229_100000758300 [0,1,0,0,0,1|1,0,0]=3 5433 B15R1.6616 CC(=O)C(C)OCc1c(cccc1C)C 7a_100011933981_100000179758 [0,1,0,0,0,1|1,0,0]=3 5434 B15R1.6616 CC(=O)C(C)OCc1c(cccc1Cl)C 7a_100000082531_100000179758 [0,1,0,0,0,1|2,0,0]=4 5435 B15R1.6616 CC(=O)C(C)OCc1c(cccc1F)C 34a_100000212229_100009814554 [0,1,0,0,0,1|2,0,0]=4 5436 B15R1.6616 CC(=O)C(C)OCc1c(cccc1F)C 7a_100000057874_100000179758 [0,1,0,0,0,1|2,0,0]=4 5437 B15R1.6616 CC(=O)C(C)OCc1c(cccc1I)C 34a_100000212229_100010150146 [0,1,0,0,0,1|2,0,0]=4 5438 B15R1.6616 CC(=O)C(C)SCc1c(cccc1C)C 62a_100000758300_100009814033 [0,1,0,0,0,1|1,1,0]=4 5439 B15R1.6616 CC(=O)C(C)SCc1c(cccc1C)C 62a_100009814033_100000758300 [0,1,0,0,0,1|1,1,0]=4 5440 B15R1.6616 Cc1cccc(c1CNC(C)C(=O)N)C 34a_100000689800_100000702099 [0,1,0,0,0,1|2,0,0]=4 5441 B15R1.6616 Cc1cccc(c1CNC(F)C(=O)N)C 34a_100000689800_100009813875 [0,1,0,0,0,1|2,0,0]=4 5442 B15R1.6616 Cc1cccc(c1CNC(F)C(=O)[O-])C 34a_100000689800_100020610796 [0,1,0,0,0,1|1,0,1]=4 5443 B15R1.6616 Cc1cccc(c1CN[C@@H](C)C(=O)O)Br 269956a_100000743915_100010146847 [0,1,0,0,0,1|2,0,0]=4 5444 B15R1.6616 Cc1cccc(c1CN[C@@H](C)C(=O)O)C 269956a_100000743915_100000758300 [0,1,0,0,0,1|1,0,0]=3 5445 B15R1.6616 Cc1cccc(c1CN[C@@H](C)C(=O)O)F 269956a_100000743915_100009814554 [0,1,0,0,0,1|2,0,0]=4 5446 B15R1.6616 Cc1cccc(c1CN[C@@H](C)C(=O)O)I 269956a_100000743915_100010150146 [0,1,0,0,0,1|2,0,0]=4 5447 B15R1.6616 Cc1cccc(c1CN[C@H](C)C(=O)N)C 2230a_100000119354_100000758300 [0,1,0,0,0,1|2,0,0]=4 5448 B15R1.6616 Cc1cccc(c1CN[C@H](C)C(=O)N)C 270004a_100000119354_100000758299 [0,1,0,0,0,1|2,0,0]=4 5449 B15R1.6616 Cc1cccc(c1CN[C@H](C)C(=O)N)C 34a_100000119354_100000758300 [0,1,0,0,0,1|2,0,0]=4 5450 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)C 34a_100011933981_100000702099 [0,1,0,0,0,1|1,0,0]=3 5451 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)C 7a_100011933981_100000702099 [0,1,0,0,0,1|1,0,0]=3 5452 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)Cl 34a_100000082531_100000702099 [0,1,0,0,0,1|2,0,0]=4 5453 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)Cl 7a_100000082531_100000702099 [0,1,0,0,0,1|2,0,0]=4 5454 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)F 34a_100000057874_100000702099 [0,1,0,0,0,1|2,0,0]=4 5455 B15R1.6616 Cc1cccc(c1COC(C)C(=O)N)F 7a_100000057874_100000702099 [0,1,0,0,0,1|2,0,0]=4 5456 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)C 34a_100011933981_100009813875 [0,1,0,0,0,1|1,0,0]=3 5457 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)C 7a_100011933981_100009813875 [0,1,0,0,0,1|1,0,0]=3 5458 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)Cl 34a_100000082531_100009813875 [0,1,0,0,0,1|2,0,0]=4 5459 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)Cl 7a_100000082531_100009813875 [0,1,0,0,0,1|2,0,0]=4 5460 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)F 34a_100000057874_100009813875 [0,1,0,0,0,1|2,0,0]=4 5461 B15R1.6616 Cc1cccc(c1COC(F)C(=O)N)F 7a_100000057874_100009813875 [0,1,0,0,0,1|2,0,0]=4 5462 B15R1.6616 Cc1cccc(c1COC(F)C(=O)[O-])C 34a_100011933981_100020610796 [0,1,0,0,0,1|0,0,1]=3 5463 B15R1.6616 Cc1cccc(c1COC(F)C(=O)[O-])Cl 34a_100000082531_100020610796 [0,1,0,0,0,1|1,0,1]=4 5464 B15R1.6616 Cc1cccc(c1COC(F)C(=O)[O-])F 34a_100000057874_100020610796 [0,1,0,0,0,1|1,0,1]=4 5465 B15R1.6616 Cc1cccc(c1CO[C@@H](C)C(=O)[O-])Br 7a_217856618621_100010146847 [0,1,0,0,0,1|1,0,1]=4 5466 B15R1.6616 Cc1cccc(c1CO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000758300 [0,1,0,0,0,1|0,0,1]=3 5467 B15R1.6616 Cc1cccc(c1CO[C@@H](C)C(=O)[O-])F 7a_217856618621_100009814554 [0,1,0,0,0,1|1,0,1]=4 5468 B15R1.6616 Cc1cccc(c1CO[C@@H](C)C(=O)[O-])I 7a_217856618621_100010150146 [0,1,0,0,0,1|1,0,1]=4 5469 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)Br 34a_100000731257_100010146847 [0,1,0,0,0,1|2,0,0]=4 5470 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)Br 7a_100000731257_100010146847 [0,1,0,0,0,1|2,0,0]=4 5471 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)C 34a_100000731257_100000758300 [0,1,0,0,0,1|1,0,0]=3 5472 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)C 7a_100000731257_100000758300 [0,1,0,0,0,1|1,0,0]=3 5473 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)F 34a_100000731257_100009814554 [0,1,0,0,0,1|2,0,0]=4 5474 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)F 7a_100000731257_100009814554 [0,1,0,0,0,1|2,0,0]=4 5475 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)I 34a_100000731257_100010150146 [0,1,0,0,0,1|2,0,0]=4 5476 B15R1.6616 Cc1cccc(c1CO[C@H](C)C(=O)N)I 7a_100000731257_100010150146 [0,1,0,0,0,1|2,0,0]=4 5477 B15R1.6616 Cc1cccc(c1CSC(C)C(=O)N)C 62a_100000702099_100000758300 [0,1,0,0,0,1|1,1,0]=4 5478 B15R1.6616 Cc1cccc(c1CSC(C)C(=O)N)C 62a_100000758300_100000702099 [0,1,0,0,0,1|1,1,0]=4 5479 B15R1.6616 Cc1cccc(c1CSC(F)C(=O)N)C 62a_100000758300_100009813875 [0,1,0,0,0,1|1,1,0]=4 5480 B15R1.6616 Cc1cccc(c1CSC(F)C(=O)N)C 62a_100009813875_100000758300 [0,1,0,0,0,1|1,1,0]=4 5481 B15R1.6616 Cc1cccc(c1CSC(F)C(=O)[O-])C 62a_100000758300_100020610796 [0,1,0,0,0,1|0,1,1]=4 5482 B15R1.6616 Cc1cccc(c1CSC(F)C(=O)[O-])C 62a_100020610796_100000758300 [0,1,0,0,0,1|0,1,1]=4 5483 B15R1.8287 CC(=O)CC(=O)Nc1c(cccc1C)C 1458a_100000070787_100000184725 [0,1,0,0,0,1|2,0,0]=4 5484 B15R1.8287 CC(=O)OC(C)Sc1c(cccc1C)C 62a_100000033847_100009818208 [0,1,0,0,0,1|1,1,0]=4 5485 B15R1.8287 CC(=O)OC(C)Sc1c(cccc1C)C 62a_100009818208_100000033847 [0,1,0,0,0,1|1,1,0]=4 5486 B15R1.8287 Cc1cccc(c1CC(=O)CC(=O)N)C 1458a_100000689862_100000187820 [0,1,0,0,0,1|2,0,0]=4 5487 B15R1.8287 Cc1cccc(c1CC(=O)CC(=O)N)C 1458a_100134613110_100000758300 [0,1,0,0,0,1|2,0,0]=4 5488 B15R1.8287 Cc1cccc(c1CC(=O)CC(=O)[O-])C 1458a_100000689862_100020667443 [0,1,0,0,0,1|1,0,1]=4 5489 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)N)C 2230a_100000739694_100000758300 [0,1,0,0,0,1|2,0,0]=4 5490 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)N)C 270004a_100000739694_100000758299 [0,1,0,0,0,1|2,0,0]=4 5491 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)O)Br 269956a_100000746989_100010146847 [0,1,0,0,0,1|2,0,0]=4 5492 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)O)C 269956a_100000746989_100000758300 [0,1,0,0,0,1|1,0,0]=3 5493 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)O)F 269956a_100000746989_100009814554 [0,1,0,0,0,1|2,0,0]=4 5494 B15R1.8287 Cc1cccc(c1CN(C)CC(=O)O)I 269956a_100000746989_100010150146 [0,1,0,0,0,1|2,0,0]=4 5495 B15R1.8287 Cc1cccc(c1NC(=O)CC(=O)N)C 22a_100000185769_100134613110 [0,1,0,0,0,1|2,0,0]=4 5496 B15R1.8291 Cc1cccc(c1COCC(C)(C)O)C 34a_100011933981_100000764493 [0,1,0,0,0,1|1,0,1]=4 5497 B15R1.8291 Cc1cccc(c1COCC(C)(C)O)C 7a_100011933981_100000764493 [0,1,0,0,0,1|1,0,1]=4 5498 B15R1.8291 Cc1cccc(c1COCS(=O)(=O)[O-])C 34a_100011933981_100009817235 [0,1,0,0,0,1|1,0,1]=4 5499 B15R1.8291 Cc1cccc(c1OCCC(C)(C)O)C 34a_100000210341_100000702414 [0,1,0,0,0,1|1,0,1]=4 5500 B15R1.8291 Cc1cccc(c1OCCC(C)(C)O)C 7a_100000210341_100000702414 [0,1,0,0,0,1|1,0,1]=4 5501 B15R1.8291 Cc1cccc(c1OCCS(=O)(=O)C)C 34a_100000210341_100000731031 [0,1,0,0,0,1|1,0,1]=4 5502 B15R1.8291 Cc1cccc(c1OCCS(=O)(=O)C)C 7a_100000210341_100000230027 [0,1,0,0,0,1|1,0,1]=4 5503 B15R1.8291 Cc1cccc(c1OCCS(=O)(=O)[O-])C 34a_100000210341_100000762736 [0,1,0,0,0,1|1,0,1]=4 5504 B15R1.8312 C=C(C)COC(C)c1c(cccc1C)C 34a_200000695261_100000748629 [0,1,0,0,0,1|2,0,0]=4 5505 B15R1.8312 C=C(C)COC(C)c1c(cccc1C)C 7a_200000695261_100000748629 [0,1,0,0,0,1|2,0,0]=4 5506 B15R1.8312 C=C(F)COC(C)c1c(cccc1C)C 34a_200000695261_100009893438 [0,1,0,0,0,1|2,0,0]=4 5507 B15R1.8312 C=C(F)COC(C)c1c(cccc1C)C 7a_200000695261_100000042424 [0,1,0,0,0,1|2,0,0]=4 5508 B15R1.8312 CC(=O)CCN(C)c1c(cccc1C)C 269982a_100011645471_100000053229 [0,1,0,0,0,1|2,0,0]=4 5509 B15R1.8312 CC(=O)OCN(C)c1c(cccc1C)C 269982a_100011645471_100000076356 [0,1,0,0,0,1|2,0,0]=4 5510 B15R1.8312 CC(=O)OCN(C)c1c(cccc1C)C 34a_100011645471_100009813279 [0,1,0,0,0,1|2,0,0]=4 5511 B15R1.8312 Cc1cccc(c1C(=O)NCC(=O)N)C 11a_100000711301_100000758298 [0,1,0,0,0,1|2,0,0]=4 5512 B15R1.8312 Cc1cccc(c1C(=O)NCC(=O)N)C 240690a_100000711301_100000758298 [0,1,0,0,0,1|2,0,0]=4 5513 B15R1.8312 Cc1cccc(c1C(C)OCC(=O)N)C 34a_200000695261_100000187820 [0,1,0,0,0,1|1,0,0]=3 5514 B15R1.8312 Cc1cccc(c1C(C)OCC(=O)N)C 7a_200000695261_100000187820 [0,1,0,0,0,1|1,0,0]=3 5515 B15R1.8312 Cc1cccc(c1C(C)OCC(=O)[O-])C 34a_200000695261_100020667443 [0,1,0,0,0,1|0,0,1]=3 5516 B15R1.8312 Cc1cccc(c1C(C)OCC(C)O)C 34a_200000695261_100011218427 [0,1,0,0,0,1|1,0,1]=4 5517 B15R1.8312 Cc1cccc(c1C(C)OCC(C)O)C 7a_200000695261_100011218427 [0,1,0,0,0,1|1,0,1]=4 5518 B15R1.8312 Cc1cccc(c1C(C)OC[C@@H](C)O)C 34a_200000695261_100009817552 [0,1,0,0,0,1|1,0,1]=4 5519 B15R1.8312 Cc1cccc(c1C(C)OC[C@@H](C)O)C 7a_200000695261_100009817552 [0,1,0,0,0,1|1,0,1]=4 5520 B15R1.8312 Cc1cccc(c1C(C)OC[N+](=O)[O-])C 34a_200000695261_100000761209 [0,1,0,0,0,1|1,0,1]=4 5521 B15R1.8312 Cc1cccc(c1N(C)CCC(=O)N)C 2230a_100011645471_100000744528 [0,1,0,0,0,1|2,0,0]=4 5522 B15R1.8312 Cc1cccc(c1N(C)CCC(=O)N)C 269982a_100011645471_100000744528 [0,1,0,0,0,1|2,0,0]=4 5523 B15R1.8312 Cc1cccc(c1N(C)CCC(=O)N)C 34a_100011645471_100000731001 [0,1,0,0,0,1|2,0,0]=4 5524 B15R1.8312 Cc1cccc(c1[C@H](C)NCC(=O)N)C 2230a_100016987977_100000747473 [0,1,0,0,0,1|2,0,0]=4 5525 B15R1.8312 Cc1cccc(c1[C@H](C)NCC(=O)N)C 34a_100016987977_100000187820 [0,1,0,0,0,1|2,0,0]=4 5526 B15R1.8312 Cc1cccc(c1[C@H](C)NCC(=O)[O-])C 34a_100016987977_100020667443 [0,1,0,0,0,1|1,0,1]=4 5527 B15R1.23305 C=C(C)CCOc1c(ccc(c1C)C)C 34a_100000211305_100000730704 [0,1,0,0,0,1|2,0,0]=4 5528 B15R1.23305 C=C(C)CCOc1c(ccc(c1C)C)C 7a_100000211305_100000730704 [0,1,0,0,0,1|2,0,0]=4 5529 B15R1.23305 CC(=CCOc1c(ccc(c1C)C)C)C 34a_100000211305_100000761012 [0,1,0,0,0,1|2,0,0]=4 5530 B15R1.23305 CC(=CCOc1c(ccc(c1C)C)C)C 7a_100000211305_100000761012 [0,1,0,0,0,1|2,0,0]=4 5531 B15R1.23305 CC(=O)CCNc1c(ccc(c1C)C)C 7a_100000117417_100000053229 [0,1,0,0,0,1|2,0,0]=4 5532 B15R1.23305 CC(=O)CCOc1c(ccc(c1C)C)C 7a_100000211305_100000053229 [0,1,0,0,0,1|1,0,0]=3 5533 B15R1.23305 CC(=O)CCOc1c(ccc(c1C)Cl)Br 7a_200010391122_100000053229 [0,1,0,0,0,1|2,0,0]=4 5534 B15R1.23305 CC(=O)CCOc1c(ccc(c1C)F)Br 7a_200010391124_100000053229 [0,1,0,0,0,1|2,0,0]=4 5535 B15R1.23305 CC(=O)CCOc1c(ccc(c1Cl)N)C 7a_100000036876_100000053229 [0,1,0,0,0,1|2,0,0]=4 5536 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)F)C 62a_100000053229_100011068659 [0,1,0,0,0,1|1,1,0]=4 5537 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)F)C 62a_100011068659_100000053229 [0,1,0,0,0,1|1,1,0]=4 5538 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)N)C 62a_100000053229_106354213274 [0,1,0,0,0,1|1,1,0]=4 5539 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)N)C 62a_106354213274_100000053229 [0,1,0,0,0,1|1,1,0]=4 5540 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)O)C 62a_100000053229_100010659238 [0,1,0,0,0,1|1,1,0]=4 5541 B15R1.23305 CC(=O)CCSc1c(ccc(c1C)O)C 62a_100010659238_100000053229 [0,1,0,0,0,1|1,1,0]=4 5542 B15R1.23305 CC(=O)OCNc1c(ccc(c1C)Br)C 34a_200010074581_100009813279 [0,1,0,0,0,1|2,0,0]=4 5543 B15R1.23305 CC(=O)OCNc1c(ccc(c1C)C)C 34a_100000117417_100009813279 [0,1,0,0,0,1|2,0,0]=4 5544 B15R1.23305 CC(=O)OCNc1c(ccc(c1C)Cl)C 34a_200020642106_100009813279 [0,1,0,0,0,1|2,0,0]=4 5545 B15R1.23305 CC(=O)OCNc1c(ccc(c1C)I)C 34a_200010115591_100009813279 [0,1,0,0,0,1|2,0,0]=4 5546 B15R1.23305 CC(=O)OCOc1c(ccc(c1C)C)C 34a_100000211305_100009813279 [0,1,0,0,0,1|1,0,0]=3 5547 B15R1.23305 CC(=O)OCOc1c(ccc(c1C)Cl)Br 34a_200010391122_100009813279 [0,1,0,0,0,1|2,0,0]=4 5548 B15R1.23305 CC(=O)OCOc1c(ccc(c1C)F)Br 34a_200010391124_100009813279 [0,1,0,0,0,1|2,0,0]=4 5549 B15R1.23305 CC(=O)OCOc1c(ccc(c1Cl)N)C 34a_100000036876_100009813279 [0,1,0,0,0,1|2,0,0]=4 5550 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)F)C 62a_100000076356_100011068659 [0,1,0,0,0,1|1,1,0]=4 5551 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)F)C 62a_100011068659_100000076356 [0,1,0,0,0,1|1,1,0]=4 5552 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)N)C 62a_100000076356_106354213274 [0,1,0,0,0,1|1,1,0]=4 5553 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)N)C 62a_106354213274_100000076356 [0,1,0,0,0,1|1,1,0]=4 5554 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)O)C 62a_100000076356_100010659238 [0,1,0,0,0,1|1,1,0]=4 5555 B15R1.23305 CC(=O)OCSc1c(ccc(c1C)O)C 62a_100010659238_100000076356 [0,1,0,0,0,1|1,1,0]=4 5556 B15R1.23305 Cc1c(ccc(c1OCCC(=O)N)Br)Cl 34a_200010391122_100000731001 [0,1,0,0,0,1|2,0,0]=4 5557 B15R1.23305 Cc1c(ccc(c1OCCC(=O)N)Br)Cl 7a_200010391122_100000744528 [0,1,0,0,0,1|2,0,0]=4 5558 B15R1.23305 Cc1c(ccc(c1OCCC(=O)N)Br)F 34a_200010391124_100000731001 [0,1,0,0,0,1|2,0,0]=4 5559 B15R1.23305 Cc1c(ccc(c1OCCC(=O)N)Br)F 7a_200010391124_100000744528 [0,1,0,0,0,1|2,0,0]=4 5560 B15R1.23305 Cc1ccc(c(c1C)NCCC(=O)N)C 2230a_100000117417_100000744528 [0,1,0,0,0,1|2,0,0]=4 5561 B15R1.23305 Cc1ccc(c(c1C)NCCC(=O)N)C 34a_100000117417_100000731001 [0,1,0,0,0,1|2,0,0]=4 5562 B15R1.23305 Cc1ccc(c(c1C)NCCC(=O)N)C 7a_100000117417_100000744528 [0,1,0,0,0,1|2,0,0]=4 5563 B15R1.23305 Cc1ccc(c(c1C)OCCC(=O)N)C 34a_100000211305_100000731001 [0,1,0,0,0,1|1,0,0]=3 5564 B15R1.23305 Cc1ccc(c(c1C)OCCC(=O)N)C 7a_100000211305_100000744528 [0,1,0,0,0,1|1,0,0]=3 5565 B15R1.23305 Cc1ccc(c(c1C)OCCC(C)O)C 34a_100000211305_100012276601 [0,1,0,0,0,1|1,0,1]=4 5566 B15R1.23305 Cc1ccc(c(c1C)OCCC(C)O)C 7a_100000211305_100012276601 [0,1,0,0,0,1|1,0,1]=4 5567 B15R1.23305 Cc1ccc(c(c1NCCC(=O)N)C)Br 34a_200010074581_100000731001 [0,1,0,0,0,1|2,0,0]=4 5568 B15R1.23305 Cc1ccc(c(c1NCCC(=O)N)C)Cl 2230a_200020642106_100000744528 [0,1,0,0,0,1|2,0,0]=4 5569 B15R1.23305 Cc1ccc(c(c1NCCC(=O)N)C)Cl 34a_200020642106_100000731001 [0,1,0,0,0,1|2,0,0]=4 5570 B15R1.23305 Cc1ccc(c(c1NCCC(=O)N)C)I 34a_200010115591_100000731001 [0,1,0,0,0,1|2,0,0]=4 5571 B15R1.23305 Cc1ccc(c(c1OCCC(=O)N)Cl)N 34a_100000036876_100000731001 [0,1,0,0,0,1|2,0,0]=4 5572 B15R1.23305 Cc1ccc(c(c1OCCC(=O)N)Cl)N 7a_100000036876_100000744528 [0,1,0,0,0,1|2,0,0]=4 5573 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)F 62a_100000744528_100011068659 [0,1,0,0,0,1|1,1,0]=4 5574 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)F 62a_100011068659_100000744528 [0,1,0,0,0,1|1,1,0]=4 5575 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)N 62a_100000744528_106354213274 [0,1,0,0,0,1|1,1,0]=4 5576 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)N 62a_106354213274_100000744528 [0,1,0,0,0,1|1,1,0]=4 5577 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)O 62a_100000744528_100010659238 [0,1,0,0,0,1|1,1,0]=4 5578 B15R1.23305 Cc1ccc(c(c1SCCC(=O)N)C)O 62a_100010659238_100000744528 [0,1,0,0,0,1|1,1,0]=4 5579 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)Br)C 34a_100000187306_100000730704 [0,1,0,0,0,1|2,0,0]=4 5580 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)Br)C 7a_100000187306_100000730704 [0,1,0,0,0,1|2,0,0]=4 5581 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)C)C 34a_100000212074_100000730704 [0,1,0,0,0,1|2,0,0]=4 5582 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)C)C 7a_100000212074_100000730704 [0,1,0,0,0,1|2,0,0]=4 5583 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100000730704 [0,1,0,0,0,1|2,0,0]=4 5584 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000730704 [0,1,0,0,0,1|2,0,0]=4 5585 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)F)C 34a_100000081862_100000730704 [0,1,0,0,0,1|2,0,0]=4 5586 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)F)C 7a_100000081862_100000730704 [0,1,0,0,0,1|2,0,0]=4 5587 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)I)C 34a_100011216129_100000730704 [0,1,0,0,0,1|2,0,0]=4 5588 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)I)C 7a_100011216129_100000730704 [0,1,0,0,0,1|2,0,0]=4 5589 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)N)C 34a_100000703291_100000730704 [0,1,0,0,0,1|2,0,0]=4 5590 B15R1.25387 C=C(C)CCOc1c(cc(cc1C)N)C 7a_100000703291_100000730704 [0,1,0,0,0,1|2,0,0]=4 5591 B15R1.25387 C=C(C)COCc1c(cc(cc1C)Br)C 34a_100010128451_100000748629 [0,1,0,0,0,1|2,0,0]=4 5592 B15R1.25387 C=C(C)COCc1c(cc(cc1C)Br)C 7a_100010128451_100000748629 [0,1,0,0,0,1|2,0,0]=4 5593 B15R1.25387 C=C(C)COCc1c(cc(cc1C)C)C 34a_100000210245_100000749405 [0,1,0,0,0,1|2,0,0]=4 5594 B15R1.25387 C=C(C)COCc1c(cc(cc1C)C)C 34a_100011215277_100000748629 [0,1,0,0,0,1|2,0,0]=4 5595 B15R1.25387 C=C(C)COCc1c(cc(cc1C)C)C 7a_100011215277_100000748629 [0,1,0,0,0,1|2,0,0]=4 5596 B15R1.25387 C=C(F)COCc1c(cc(cc1C)Br)C 34a_100010128451_100009893438 [0,1,0,0,0,1|2,0,0]=4 5597 B15R1.25387 C=C(F)COCc1c(cc(cc1C)Br)C 7a_100010128451_100000042424 [0,1,0,0,0,1|2,0,0]=4 5598 B15R1.25387 C=C(F)COCc1c(cc(cc1C)C)C 34a_100011215277_100009893438 [0,1,0,0,0,1|2,0,0]=4 5599 B15R1.25387 C=C(F)COCc1c(cc(cc1C)C)C 34a_200010262243_100000749405 [0,1,0,0,0,1|2,0,0]=4 5600 B15R1.25387 C=C(F)COCc1c(cc(cc1C)C)C 7a_100011215277_100000042424 [0,1,0,0,0,1|2,0,0]=4 5601 B15R1.25387 CC(=CCOc1c(cc(cc1C)Br)C)C 34a_100000187306_100000761012 [0,1,0,0,0,1|2,0,0]=4 5602 B15R1.25387 CC(=CCOc1c(cc(cc1C)Br)C)C 7a_100000187306_100000761012 [0,1,0,0,0,1|2,0,0]=4 5603 B15R1.25387 CC(=CCOc1c(cc(cc1C)C)C)C 34a_100000212074_100000761012 [0,1,0,0,0,1|2,0,0]=4 5604 B15R1.25387 CC(=CCOc1c(cc(cc1C)C)C)C 7a_100000212074_100000761012 [0,1,0,0,0,1|2,0,0]=4 5605 B15R1.25387 CC(=CCOc1c(cc(cc1C)Cl)C)C 34a_100000211519_100000761012 [0,1,0,0,0,1|2,0,0]=4 5606 B15R1.25387 CC(=CCOc1c(cc(cc1C)Cl)C)C 7a_100000211519_100000761012 [0,1,0,0,0,1|2,0,0]=4 5607 B15R1.25387 CC(=CCOc1c(cc(cc1C)F)C)C 34a_100000081862_100000761012 [0,1,0,0,0,1|2,0,0]=4 5608 B15R1.25387 CC(=CCOc1c(cc(cc1C)F)C)C 7a_100000081862_100000761012 [0,1,0,0,0,1|2,0,0]=4 5609 B15R1.25387 CC(=CCOc1c(cc(cc1C)I)C)C 34a_100011216129_100000761012 [0,1,0,0,0,1|2,0,0]=4 5610 B15R1.25387 CC(=CCOc1c(cc(cc1C)I)C)C 7a_100011216129_100000761012 [0,1,0,0,0,1|2,0,0]=4 5611 B15R1.25387 CC(=CCOc1c(cc(cc1C)N)C)C 34a_100000703291_100000761012 [0,1,0,0,0,1|2,0,0]=4 5612 B15R1.25387 CC(=CCOc1c(cc(cc1C)N)C)C 7a_100000703291_100000761012 [0,1,0,0,0,1|2,0,0]=4 5613 B15R1.25387 CC(=O)CCNc1c(cc(cc1C)Br)C 7a_100000737279_100000053229 [0,1,0,0,0,1|2,0,0]=4 5614 B15R1.25387 CC(=O)CCNc1c(cc(cc1C)C)C 7a_100000210045_100000053229 [0,1,0,0,0,1|2,0,0]=4 5615 B15R1.25387 CC(=O)CCNc1c(cc(cc1C)Cl)C 7a_100000692879_100000053229 [0,1,0,0,0,1|2,0,0]=4 5616 B15R1.25387 CC(=O)CCNc1c(cc(cc1C)F)C 7a_100011290887_100000053229 [0,1,0,0,0,1|2,0,0]=4 5617 B15R1.25387 CC(=O)CCNc1c(cc(cc1C)I)C 7a_100011356821_100000053229 [0,1,0,0,0,1|2,0,0]=4 5618 B15R1.25387 CC(=O)CCOc1c(cc(cc1Br)Br)C 7a_100000186369_100000053229 [0,1,0,0,0,1|2,0,0]=4 5619 B15R1.25387 CC(=O)CCOc1c(cc(cc1Br)C)C 7a_100011934984_100000053229 [0,1,0,0,0,1|2,0,0]=4 5620 B15R1.25387 CC(=O)CCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100000053229 [0,1,0,0,0,1|2,0,0]=4 5621 B15R1.25387 CC(=O)CCOc1c(cc(cc1Br)I)C 7a_100010982682_100000053229 [0,1,0,0,0,1|2,0,0]=4 5622 B15R1.25387 CC(=O)CCOc1c(cc(cc1Br)N)C 7a_100010064301_100000053229 [0,1,0,0,0,1|2,0,0]=4 5623 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)Br)C 7a_100000187306_100000053229 [0,1,0,0,0,1|1,0,0]=3 5624 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)C)C 7a_100000212074_100000053229 [0,1,0,0,0,1|1,0,0]=3 5625 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000053229 [0,1,0,0,0,1|1,0,0]=3 5626 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)F)C 7a_100000081862_100000053229 [0,1,0,0,0,1|1,0,0]=3 5627 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)I)C 7a_100011216129_100000053229 [0,1,0,0,0,1|1,0,0]=3 5628 B15R1.25387 CC(=O)CCOc1c(cc(cc1C)N)C 7a_100000703291_100000053229 [0,1,0,0,0,1|1,0,0]=3 5629 B15R1.25387 CC(=O)CCOc1c(cc(cc1Cl)Br)C 7a_100000211485_100000053229 [0,1,0,0,0,1|2,0,0]=4 5630 B15R1.25387 CC(=O)CCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000053229 [0,1,0,0,0,1|2,0,0]=4 5631 B15R1.25387 CC(=O)CCOc1c(cc(cc1Cl)I)C 7a_200015900153_100000053229 [0,1,0,0,0,1|2,0,0]=4 5632 B15R1.25387 CC(=O)CCOc1c(cc(cc1I)Cl)C 7a_100012343667_100000053229 [0,1,0,0,0,1|2,0,0]=4 5633 B15R1.25387 CC(=O)CCOc1c(cc(cc1N)Br)C 7a_100011825904_100000053229 [0,1,0,0,0,1|2,0,0]=4 5634 B15R1.25387 CC(=O)CCOc1c(cc(cc1N)C)C 7a_100011216242_100000053229 [0,1,0,0,0,1|2,0,0]=4 5635 B15R1.25387 CC(=O)CCOc1c(cc(cc1N)F)C 7a_100000130126_100000053229 [0,1,0,0,0,1|2,0,0]=4 5636 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)Br)C 62a_100000053229_100009814048 [0,1,0,0,0,1|1,1,0]=4 5637 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)Br)C 62a_100009814048_100000053229 [0,1,0,0,0,1|1,1,0]=4 5638 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)C)C 62a_100000053229_100011204320 [0,1,0,0,0,1|1,1,0]=4 5639 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)C)C 62a_100011204320_100000053229 [0,1,0,0,0,1|1,1,0]=4 5640 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)Cl)C 62a_100000053229_100010244930 [0,1,0,0,0,1|1,1,0]=4 5641 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)Cl)C 62a_100010244930_100000053229 [0,1,0,0,0,1|1,1,0]=4 5642 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)F)C 62a_100000053229_100012356666 [0,1,0,0,0,1|1,1,0]=4 5643 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)F)C 62a_100012356666_100000053229 [0,1,0,0,0,1|1,1,0]=4 5644 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)N)C 62a_100000053229_100000215964 [0,1,0,0,0,1|1,1,0]=4 5645 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)N)C 62a_100000215964_100000053229 [0,1,0,0,0,1|1,1,0]=4 5646 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)O)C 62a_100000053229_100000243743 [0,1,0,0,0,1|1,1,0]=4 5647 B15R1.25387 CC(=O)CCSc1c(cc(cc1C)O)C 62a_100000243743_100000053229 [0,1,0,0,0,1|1,1,0]=4 5648 B15R1.25387 CC(=O)COCc1c(cc(cc1C)C)C 34a_100000211253_100000749405 [0,1,0,0,0,1|1,0,0]=3 5649 B15R1.25387 CC(=O)NCCc1c(cc(cc1C)C)C 11a_100000692091_100015343762 [0,1,0,0,0,1|2,0,0]=4 5650 B15R1.25387 CC(=O)NCCc1c(cc(cc1C)C)C 1626a_100000692091_100015343762 [0,1,0,0,0,1|2,0,0]=4 5651 B15R1.25387 CC(=O)NCCc1c(cc(cc1C)C)C 240690a_100000692091_100015343762 [0,1,0,0,0,1|2,0,0]=4 5652 B15R1.25387 CC(=O)NCCc1c(cc(cc1C)C)C 527a_100000692091_100103153847 [0,1,0,0,0,1|2,0,0]=4 5653 B15R1.25387 CC(=O)OCNc1c(cc(cc1C)Br)C 34a_100000737279_100009813279 [0,1,0,0,0,1|2,0,0]=4 5654 B15R1.25387 CC(=O)OCNc1c(cc(cc1C)C)C 34a_100000210045_100009813279 [0,1,0,0,0,1|2,0,0]=4 5655 B15R1.25387 CC(=O)OCNc1c(cc(cc1C)Cl)C 34a_100000692879_100009813279 [0,1,0,0,0,1|2,0,0]=4 5656 B15R1.25387 CC(=O)OCNc1c(cc(cc1C)F)C 34a_100011290887_100009813279 [0,1,0,0,0,1|2,0,0]=4 5657 B15R1.25387 CC(=O)OCNc1c(cc(cc1C)O)C 34a_100011934200_100009813279 [0,1,0,0,0,1|2,0,0]=4 5658 B15R1.25387 CC(=O)OCOc1c(cc(cc1Br)Br)C 34a_100000186369_100009813279 [0,1,0,0,0,1|2,0,0]=4 5659 B15R1.25387 CC(=O)OCOc1c(cc(cc1Br)C)C 34a_100011934984_100009813279 [0,1,0,0,0,1|2,0,0]=4 5660 B15R1.25387 CC(=O)OCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100009813279 [0,1,0,0,0,1|2,0,0]=4 5661 B15R1.25387 CC(=O)OCOc1c(cc(cc1Br)I)C 34a_100010982682_100009813279 [0,1,0,0,0,1|2,0,0]=4 5662 B15R1.25387 CC(=O)OCOc1c(cc(cc1Br)N)C 34a_100010064301_100009813279 [0,1,0,0,0,1|2,0,0]=4 5663 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)Br)C 34a_100000187306_100009813279 [0,1,0,0,0,1|1,0,0]=3 5664 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)C)C 34a_100000212074_100009813279 [0,1,0,0,0,1|1,0,0]=3 5665 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)Cl)C 34a_100000211519_100009813279 [0,1,0,0,0,1|1,0,0]=3 5666 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)F)C 34a_100000081862_100009813279 [0,1,0,0,0,1|1,0,0]=3 5667 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)I)C 34a_100011216129_100009813279 [0,1,0,0,0,1|1,0,0]=3 5668 B15R1.25387 CC(=O)OCOc1c(cc(cc1C)N)C 34a_100000703291_100009813279 [0,1,0,0,0,1|1,0,0]=3 5669 B15R1.25387 CC(=O)OCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100009813279 [0,1,0,0,0,1|2,0,0]=4 5670 B15R1.25387 CC(=O)OCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100009813279 [0,1,0,0,0,1|2,0,0]=4 5671 B15R1.25387 CC(=O)OCOc1c(cc(cc1Cl)I)C 34a_200015900153_100009813279 [0,1,0,0,0,1|2,0,0]=4 5672 B15R1.25387 CC(=O)OCOc1c(cc(cc1I)Cl)C 34a_100012343667_100009813279 [0,1,0,0,0,1|2,0,0]=4 5673 B15R1.25387 CC(=O)OCOc1c(cc(cc1N)Br)C 34a_100011825904_100009813279 [0,1,0,0,0,1|2,0,0]=4 5674 B15R1.25387 CC(=O)OCOc1c(cc(cc1N)C)C 34a_100011216242_100009813279 [0,1,0,0,0,1|2,0,0]=4 5675 B15R1.25387 CC(=O)OCOc1c(cc(cc1N)F)C 34a_100000130126_100009813279 [0,1,0,0,0,1|2,0,0]=4 5676 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)Br)C 62a_100000076356_100009814048 [0,1,0,0,0,1|1,1,0]=4 5677 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)Br)C 62a_100009814048_100000076356 [0,1,0,0,0,1|1,1,0]=4 5678 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)C)C 62a_100000076356_100011204320 [0,1,0,0,0,1|1,1,0]=4 5679 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)C)C 62a_100011204320_100000076356 [0,1,0,0,0,1|1,1,0]=4 5680 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)Cl)C 62a_100000076356_100010244930 [0,1,0,0,0,1|1,1,0]=4 5681 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)Cl)C 62a_100010244930_100000076356 [0,1,0,0,0,1|1,1,0]=4 5682 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)F)C 62a_100000076356_100012356666 [0,1,0,0,0,1|1,1,0]=4 5683 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)F)C 62a_100012356666_100000076356 [0,1,0,0,0,1|1,1,0]=4 5684 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)N)C 62a_100000076356_100000215964 [0,1,0,0,0,1|1,1,0]=4 5685 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)N)C 62a_100000215964_100000076356 [0,1,0,0,0,1|1,1,0]=4 5686 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)O)C 62a_100000076356_100000243743 [0,1,0,0,0,1|1,1,0]=4 5687 B15R1.25387 CC(=O)OCSc1c(cc(cc1C)O)C 62a_100000243743_100000076356 [0,1,0,0,0,1|1,1,0]=4 5688 B15R1.25387 Cc1cc(c(c(c1)Br)OCCC(=O)N)C 34a_100011934984_100000731001 [0,1,0,0,0,1|2,0,0]=4 5689 B15R1.25387 Cc1cc(c(c(c1)Br)OCCC(=O)N)C 7a_100011934984_100000744528 [0,1,0,0,0,1|2,0,0]=4 5690 B15R1.25387 Cc1cc(c(c(c1)C)CNCC(=O)N)C 2230a_100000711301_100000749405 [0,1,0,0,0,1|2,0,0]=4 5691 B15R1.25387 Cc1cc(c(c(c1)C)CNCC(=O)N)C 2230a_100000737526_100000747473 [0,1,0,0,0,1|2,0,0]=4 5692 B15R1.25387 Cc1cc(c(c(c1)C)CNCC(=O)N)C 34a_100000737526_100000187820 [0,1,0,0,0,1|2,0,0]=4 5693 B15R1.25387 Cc1cc(c(c(c1)C)CNCC(=O)O)C 269956a_100016091260_100000749405 [0,1,0,0,0,1|1,0,0]=3 5694 B15R1.25387 Cc1cc(c(c(c1)C)CNCC(=O)[O-])C 34a_100000737526_100020667443 [0,1,0,0,0,1|1,0,1]=4 5695 B15R1.25387 Cc1cc(c(c(c1)C)COCC(=O)N)C 34a_100011215277_100000187820 [0,1,0,0,0,1|1,0,0]=3 5696 B15R1.25387 Cc1cc(c(c(c1)C)COCC(=O)N)C 7a_100011215277_100000187820 [0,1,0,0,0,1|1,0,0]=3 5697 B15R1.25387 Cc1cc(c(c(c1)C)COCC(=O)[O-])C 34a_100011215277_100020667443 [0,1,0,0,0,1|0,0,1]=3 5698 B15R1.25387 Cc1cc(c(c(c1)C)COCC(C)O)C 34a_100011215277_100011218427 [0,1,0,0,0,1|1,0,1]=4 5699 B15R1.25387 Cc1cc(c(c(c1)C)COCC(C)O)C 7a_100011215277_100011218427 [0,1,0,0,0,1|1,0,1]=4 5700 B15R1.25387 Cc1cc(c(c(c1)C)COC[C@@H](C)O)C 34a_100011215277_100009817552 [0,1,0,0,0,1|1,0,1]=4 5701 B15R1.25387 Cc1cc(c(c(c1)C)COC[C@@H](C)O)C 7a_100011215277_100009817552 [0,1,0,0,0,1|1,0,1]=4 5702 B15R1.25387 Cc1cc(c(c(c1)C)COC[N+](=O)[O-])C 34a_100011215277_100000761209 [0,1,0,0,0,1|1,0,1]=4 5703 B15R1.25387 Cc1cc(c(c(c1)C)CSCC(=O)N)C 62a_100000747473_100000749405 [0,1,0,0,0,1|1,1,0]=4 5704 B15R1.25387 Cc1cc(c(c(c1)C)CSCC(=O)N)C 62a_100000749405_100000747473 [0,1,0,0,0,1|1,1,0]=4 5705 B15R1.25387 Cc1cc(c(c(c1)C)CSCC(=O)[O-])C 62a_100000749405_100020667443 [0,1,0,0,0,1|0,1,1]=4 5706 B15R1.25387 Cc1cc(c(c(c1)C)CSCC(=O)[O-])C 62a_100020667443_100000749405 [0,1,0,0,0,1|0,1,1]=4 5707 B15R1.25387 Cc1cc(c(c(c1)C)NCCC(=O)N)C 34a_100000210045_100000731001 [0,1,0,0,0,1|2,0,0]=4 5708 B15R1.25387 Cc1cc(c(c(c1)C)NCCC(=O)N)C 7a_100000210045_100000744528 [0,1,0,0,0,1|2,0,0]=4 5709 B15R1.25387 Cc1cc(c(c(c1)C)OCCC(=O)N)C 34a_100000212074_100000731001 [0,1,0,0,0,1|1,0,0]=3 5710 B15R1.25387 Cc1cc(c(c(c1)C)OCCC(=O)N)C 7a_100000212074_100000744528 [0,1,0,0,0,1|1,0,0]=3 5711 B15R1.25387 Cc1cc(c(c(c1)C)OCCC(C)O)C 34a_100000212074_100012276601 [0,1,0,0,0,1|1,0,1]=4 5712 B15R1.25387 Cc1cc(c(c(c1)C)OCCC(C)O)C 7a_100000212074_100012276601 [0,1,0,0,0,1|1,0,1]=4 5713 B15R1.25387 Cc1cc(c(c(c1)C)SCCC(=O)N)C 62a_100000744528_100011204320 [0,1,0,0,0,1|1,1,0]=4 5714 B15R1.25387 Cc1cc(c(c(c1)C)SCCC(=O)N)C 62a_100011204320_100000744528 [0,1,0,0,0,1|1,1,0]=4 5715 B15R1.25387 Cc1cc(c(c(c1)N)OCCC(=O)N)C 34a_100011216242_100000731001 [0,1,0,0,0,1|2,0,0]=4 5716 B15R1.25387 Cc1cc(c(c(c1)N)OCCC(=O)N)C 7a_100011216242_100000744528 [0,1,0,0,0,1|2,0,0]=4 5717 B15R1.25387 Cc1cc(cc(c1COCC(=O)N)C)Br 34a_100010128451_100000187820 [0,1,0,0,0,1|1,0,0]=3 5718 B15R1.25387 Cc1cc(cc(c1COCC(=O)N)C)Br 7a_100010128451_100000187820 [0,1,0,0,0,1|1,0,0]=3 5719 B15R1.25387 Cc1cc(cc(c1COCC(=O)[O-])C)Br 34a_100010128451_100020667443 [0,1,0,0,0,1|0,0,1]=3 5720 B15R1.25387 Cc1cc(cc(c1COCC(C)O)C)Br 34a_100010128451_100011218427 [0,1,0,0,0,1|1,0,1]=4 5721 B15R1.25387 Cc1cc(cc(c1COCC(C)O)C)Br 7a_100010128451_100011218427 [0,1,0,0,0,1|1,0,1]=4 5722 B15R1.25387 Cc1cc(cc(c1COC[C@@H](C)O)C)Br 34a_100010128451_100009817552 [0,1,0,0,0,1|1,0,1]=4 5723 B15R1.25387 Cc1cc(cc(c1COC[C@@H](C)O)C)Br 7a_100010128451_100009817552 [0,1,0,0,0,1|1,0,1]=4 5724 B15R1.25387 Cc1cc(cc(c1COC[N+](=O)[O-])C)Br 34a_100010128451_100000761209 [0,1,0,0,0,1|1,0,1]=4 5725 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)Br 34a_100000737279_100000731001 [0,1,0,0,0,1|2,0,0]=4 5726 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)Br 7a_100000737279_100000744528 [0,1,0,0,0,1|2,0,0]=4 5727 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)Cl 34a_100000692879_100000731001 [0,1,0,0,0,1|2,0,0]=4 5728 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)Cl 7a_100000692879_100000744528 [0,1,0,0,0,1|2,0,0]=4 5729 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)F 34a_100011290887_100000731001 [0,1,0,0,0,1|2,0,0]=4 5730 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)F 7a_100011290887_100000744528 [0,1,0,0,0,1|2,0,0]=4 5731 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)I 7a_100011356821_100000744528 [0,1,0,0,0,1|2,0,0]=4 5732 B15R1.25387 Cc1cc(cc(c1NCCC(=O)N)C)O 34a_100011934200_100000731001 [0,1,0,0,0,1|2,0,0]=4 5733 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)Br 34a_100000186369_100000731001 [0,1,0,0,0,1|2,0,0]=4 5734 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)Br 7a_100000186369_100000744528 [0,1,0,0,0,1|2,0,0]=4 5735 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)Cl 34a_100012337756_100000731001 [0,1,0,0,0,1|2,0,0]=4 5736 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)Cl 7a_100012337756_100000744528 [0,1,0,0,0,1|2,0,0]=4 5737 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)I 34a_100010982682_100000731001 [0,1,0,0,0,1|2,0,0]=4 5738 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)I 7a_100010982682_100000744528 [0,1,0,0,0,1|2,0,0]=4 5739 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)N 34a_100010064301_100000731001 [0,1,0,0,0,1|2,0,0]=4 5740 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Br)N 7a_100010064301_100000744528 [0,1,0,0,0,1|2,0,0]=4 5741 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)Br 34a_100000187306_100000731001 [0,1,0,0,0,1|1,0,0]=3 5742 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)Br 7a_100000187306_100000744528 [0,1,0,0,0,1|1,0,0]=3 5743 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)Cl 34a_100000211519_100000731001 [0,1,0,0,0,1|1,0,0]=3 5744 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)Cl 7a_100000211519_100000744528 [0,1,0,0,0,1|1,0,0]=3 5745 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)F 34a_100000081862_100000731001 [0,1,0,0,0,1|1,0,0]=3 5746 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)F 7a_100000081862_100000744528 [0,1,0,0,0,1|1,0,0]=3 5747 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)I 34a_100011216129_100000731001 [0,1,0,0,0,1|1,0,0]=3 5748 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)I 7a_100011216129_100000744528 [0,1,0,0,0,1|1,0,0]=3 5749 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)N 34a_100000703291_100000731001 [0,1,0,0,0,1|1,0,0]=3 5750 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)C)N 7a_100000703291_100000744528 [0,1,0,0,0,1|1,0,0]=3 5751 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)Br 34a_100000211485_100000731001 [0,1,0,0,0,1|2,0,0]=4 5752 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)Br 7a_100000211485_100000744528 [0,1,0,0,0,1|2,0,0]=4 5753 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)Cl 34a_100011218458_100000731001 [0,1,0,0,0,1|2,0,0]=4 5754 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)Cl 7a_100011218458_100000744528 [0,1,0,0,0,1|2,0,0]=4 5755 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)I 34a_200015900153_100000731001 [0,1,0,0,0,1|2,0,0]=4 5756 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)Cl)I 7a_200015900153_100000744528 [0,1,0,0,0,1|2,0,0]=4 5757 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)I)Cl 34a_100012343667_100000731001 [0,1,0,0,0,1|2,0,0]=4 5758 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)I)Cl 7a_100012343667_100000744528 [0,1,0,0,0,1|2,0,0]=4 5759 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)N)Br 34a_100011825904_100000731001 [0,1,0,0,0,1|2,0,0]=4 5760 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)N)Br 7a_100011825904_100000744528 [0,1,0,0,0,1|2,0,0]=4 5761 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)N)F 34a_100000130126_100000731001 [0,1,0,0,0,1|2,0,0]=4 5762 B15R1.25387 Cc1cc(cc(c1OCCC(=O)N)N)F 7a_100000130126_100000744528 [0,1,0,0,0,1|2,0,0]=4 5763 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)Br 34a_100000187306_100012276601 [0,1,0,0,0,1|1,0,1]=4 5764 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)Br 7a_100000187306_100012276601 [0,1,0,0,0,1|1,0,1]=4 5765 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)Cl 34a_100000211519_100012276601 [0,1,0,0,0,1|1,0,1]=4 5766 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)Cl 7a_100000211519_100012276601 [0,1,0,0,0,1|1,0,1]=4 5767 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)F 34a_100000081862_100012276601 [0,1,0,0,0,1|1,0,1]=4 5768 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)F 7a_100000081862_100012276601 [0,1,0,0,0,1|1,0,1]=4 5769 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)I 34a_100011216129_100012276601 [0,1,0,0,0,1|1,0,1]=4 5770 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)I 7a_100011216129_100012276601 [0,1,0,0,0,1|1,0,1]=4 5771 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)N 34a_100000703291_100012276601 [0,1,0,0,0,1|1,0,1]=4 5772 B15R1.25387 Cc1cc(cc(c1OCCC(C)O)C)N 7a_100000703291_100012276601 [0,1,0,0,0,1|1,0,1]=4 5773 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)Br 62a_100000744528_100009814048 [0,1,0,0,0,1|1,1,0]=4 5774 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)Br 62a_100009814048_100000744528 [0,1,0,0,0,1|1,1,0]=4 5775 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)Cl 62a_100000744528_100010244930 [0,1,0,0,0,1|1,1,0]=4 5776 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)Cl 62a_100010244930_100000744528 [0,1,0,0,0,1|1,1,0]=4 5777 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)F 62a_100000744528_100012356666 [0,1,0,0,0,1|1,1,0]=4 5778 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)F 62a_100012356666_100000744528 [0,1,0,0,0,1|1,1,0]=4 5779 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)N 62a_100000215964_100000744528 [0,1,0,0,0,1|1,1,0]=4 5780 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)N 62a_100000744528_100000215964 [0,1,0,0,0,1|1,1,0]=4 5781 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)O 62a_100000243743_100000744528 [0,1,0,0,0,1|1,1,0]=4 5782 B15R1.25387 Cc1cc(cc(c1SCCC(=O)N)C)O 62a_100000744528_100000243743 [0,1,0,0,0,1|1,1,0]=4 5783 B15R1.42427 C#CC(=O)CCOc1c(cccc1C)C 1458a_100000211873_100000184555 [0,1,0,0,0,1|1,0,0]=3 5784 B15R1.42427 C=C(C#N)COCc1c(cccc1C)C 34a_100011933981_100000694840 [0,1,0,0,0,1|2,0,0]=4 5785 B15R1.42427 C=CC(=O)CCOc1c(cccc1C)C 1458a_100000185746_100000184555 [0,1,0,0,0,1|1,0,0]=3 5786 B15R1.42427 C=CC(O)COCc1c(cccc1C)C 34a_100011933981_100000730141 [0,1,0,0,0,1|1,0,1]=4 5787 B15R1.42427 C=CC(O)COCc1c(cccc1C)C 7a_100011933981_100000730141 [0,1,0,0,0,1|1,0,1]=4 5788 B15R1.42427 CCC(=O)CCOc1c(cccc1C)C 1458a_100000210414_100000184555 [0,1,0,0,0,1|1,0,0]=3 5789 B15R1.42427 CCC(=O)CCOc1c(cccc1C)C 1458a_200000738035_100000210202 [0,1,0,0,0,1|1,0,0]=3 5790 B15R1.42427 CCC(=O)COCc1c(cccc1Br)C 34a_100000725409_100010146847 [0,1,0,0,0,1|2,0,0]=4 5791 B15R1.42427 CCC(=O)COCc1c(cccc1C)C 34a_100000725409_100000758300 [0,1,0,0,0,1|1,0,0]=3 5792 B15R1.42427 CCC(=O)COCc1c(cccc1C)C 7a_100011933981_100000747405 [0,1,0,0,0,1|1,0,0]=3 5793 B15R1.42427 CCC(=O)COCc1c(cccc1Cl)C 7a_100000082531_100000747405 [0,1,0,0,0,1|2,0,0]=4 5794 B15R1.42427 CCC(=O)COCc1c(cccc1F)C 34a_100000725409_100009814554 [0,1,0,0,0,1|2,0,0]=4 5795 B15R1.42427 CCC(=O)COCc1c(cccc1F)C 7a_100000057874_100000747405 [0,1,0,0,0,1|2,0,0]=4 5796 B15R1.42427 CCC(=O)COCc1c(cccc1I)C 34a_100000725409_100010150146 [0,1,0,0,0,1|2,0,0]=4 5797 B15R1.42427 CCC(=O)CSCc1c(cccc1C)C 62a_100000747405_100000758300 [0,1,0,0,0,1|1,1,0]=4 5798 B15R1.42427 CCC(=O)CSCc1c(cccc1C)C 62a_100000758300_100000747405 [0,1,0,0,0,1|1,1,0]=4 5799 B15R1.42427 CCC(O)COCc1c(cccc1C)C 34a_100011933981_100011218378 [0,1,0,0,0,1|1,0,1]=4 5800 B15R1.42427 CCC(O)COCc1c(cccc1C)C 7a_100011933981_100011218378 [0,1,0,0,0,1|1,0,1]=4 5801 B15R1.42427 CNC(=O)CCNc1c(cccc1C)C 34a_100000185769_100012179268 [0,1,0,0,0,1|2,0,0]=4 5802 B15R1.42427 CNC(=O)CCOc1c(cccc1Br)C 34a_100009817157_100012179268 [0,1,0,0,0,1|2,0,0]=4 5803 B15R1.42427 CNC(=O)CCOc1c(cccc1Br)C 7a_100009817157_100000737683 [0,1,0,0,0,1|2,0,0]=4 5804 B15R1.42427 CNC(=O)CCOc1c(cccc1C)C 11a_106832991635_200000738035 [0,1,0,0,0,1|1,0,0]=3 5805 B15R1.42427 CNC(=O)CCOc1c(cccc1C)C 1626a_100102657272_200000738035 [0,1,0,0,0,1|1,0,0]=3 5806 B15R1.42427 CNC(=O)CCOc1c(cccc1C)C 240690a_100102657272_200000738035 [0,1,0,0,0,1|1,0,0]=3 5807 B15R1.42427 CNC(=O)CCOc1c(cccc1C)C 34a_100000210341_100012179268 [0,1,0,0,0,1|1,0,0]=3 5808 B15R1.42427 CNC(=O)CCOc1c(cccc1C)C 7a_100000210341_100000737683 [0,1,0,0,0,1|1,0,0]=3 5809 B15R1.42427 CNC(=O)CCOc1c(cccc1Cl)C 34a_100000033731_100012179268 [0,1,0,0,0,1|2,0,0]=4 5810 B15R1.42427 CNC(=O)CCOc1c(cccc1Cl)C 7a_100000033731_100000737683 [0,1,0,0,0,1|2,0,0]=4 5811 B15R1.42427 CNC(=O)CCOc1c(cccc1F)C 34a_100011659162_100012179268 [0,1,0,0,0,1|2,0,0]=4 5812 B15R1.42427 CNC(=O)CCOc1c(cccc1F)C 7a_100011659162_100000737683 [0,1,0,0,0,1|2,0,0]=4 5813 B15R1.42427 CNC(=O)CCOc1c(cccc1N)C 34a_100000756359_100012179268 [0,1,0,0,0,1|2,0,0]=4 5814 B15R1.42427 CNC(=O)CCOc1c(cccc1N)C 7a_100000756359_100000737683 [0,1,0,0,0,1|2,0,0]=4 5815 B15R1.42427 CNC(=O)CCOc1c(ccnc1C)C 34a_100011934651_100012179268 [0,1,0,0,0,1|2,0,0]=4 5816 B15R1.42427 CNC(=O)CCOc1c(ccnc1C)C 7a_100011934651_100000737683 [0,1,0,0,0,1|2,0,0]=4 5817 B15R1.42427 CNC(=O)CCSc1c(cccc1C)C 62a_100000033847_100000737683 [0,1,0,0,0,1|1,1,0]=4 5818 B15R1.42427 CNC(=O)CCSc1c(cccc1C)C 62a_100000737683_100000033847 [0,1,0,0,0,1|1,1,0]=4 5819 B15R1.42427 CNC(=O)CNCc1c(cccc1C)C 207a_100000693194_100000758299 [0,1,0,0,0,1|2,0,0]=4 5820 B15R1.42427 CNC(=O)CNCc1c(cccc1C)C 2230a_100000693194_100000758300 [0,1,0,0,0,1|2,0,0]=4 5821 B15R1.42427 CNC(=O)CNCc1c(cccc1C)C 270004a_100000693194_100000758299 [0,1,0,0,0,1|2,0,0]=4 5822 B15R1.42427 CNC(=O)CNCc1c(cccc1C)C 34a_100000689800_100000183359 [0,1,0,0,0,1|2,0,0]=4 5823 B15R1.42427 CNC(=O)COCc1c(cccc1Br)C 34a_100000750040_100010146847 [0,1,0,0,0,1|2,0,0]=4 5824 B15R1.42427 CNC(=O)COCc1c(cccc1C)C 34a_100000750040_100000758300 [0,1,0,0,0,1|1,0,0]=3 5825 B15R1.42427 CNC(=O)COCc1c(cccc1C)C 34a_100011933981_100000183359 [0,1,0,0,0,1|1,0,0]=3 5826 B15R1.42427 CNC(=O)COCc1c(cccc1C)C 7a_100011933981_100000183359 [0,1,0,0,0,1|1,0,0]=3 5827 B15R1.42427 CNC(=O)COCc1c(cccc1Cl)C 34a_100000082531_100000183359 [0,1,0,0,0,1|2,0,0]=4 5828 B15R1.42427 CNC(=O)COCc1c(cccc1Cl)C 7a_100000082531_100000183359 [0,1,0,0,0,1|2,0,0]=4 5829 B15R1.42427 CNC(=O)COCc1c(cccc1F)C 34a_100000057874_100000183359 [0,1,0,0,0,1|2,0,0]=4 5830 B15R1.42427 CNC(=O)COCc1c(cccc1F)C 34a_100000750040_100009814554 [0,1,0,0,0,1|2,0,0]=4 5831 B15R1.42427 CNC(=O)COCc1c(cccc1F)C 7a_100000057874_100000183359 [0,1,0,0,0,1|2,0,0]=4 5832 B15R1.42427 CNC(=O)COCc1c(cccc1I)C 34a_100000750040_100010150146 [0,1,0,0,0,1|2,0,0]=4 5833 B15R1.42427 CNC(=O)CSCc1c(cccc1C)C 62a_100000183359_100000758300 [0,1,0,0,0,1|1,1,0]=4 5834 B15R1.42427 CNC(=O)CSCc1c(cccc1C)C 62a_100000758300_100000183359 [0,1,0,0,0,1|1,1,0]=4 5835 B15R1.42427 COC(=O)C=NNc1c(cccc1C)C 4a_100016987787_200011823558 [0,1,0,0,0,1|1,0,1]=4 5836 B15R1.42427 COC(=O)CCNc1c(cccc1Br)C 34a_100011834072_100000742370 [0,1,0,0,0,1|2,0,0]=4 5837 B15R1.42427 COC(=O)CCNc1c(cccc1C)C 34a_100000185769_100000742370 [0,1,0,0,0,1|1,0,0]=3 5838 B15R1.42427 COC(=O)CCNc1c(cccc1Cl)C 34a_100000756524_100000742370 [0,1,0,0,0,1|2,0,0]=4 5839 B15R1.42427 COC(=O)CCNc1c(cccc1F)C 34a_100000766463_100000742370 [0,1,0,0,0,1|2,0,0]=4 5840 B15R1.42427 COC(=O)CCNc1c(cccc1O)C 34a_100000743429_100000742370 [0,1,0,0,0,1|2,0,0]=4 5841 B15R1.42427 COC(=O)CCOc1c(cccc1Br)Br 34a_100000736428_100000742370 [0,1,0,0,0,1|2,0,0]=4 5842 B15R1.42427 COC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000204255 [0,1,0,0,0,1|2,0,0]=4 5843 B15R1.42427 COC(=O)CCOc1c(cccc1Br)C 34a_100009817157_100000742370 [0,1,0,0,0,1|1,0,0]=3 5844 B15R1.42427 COC(=O)CCOc1c(cccc1Br)C 7a_100009817157_100000204255 [0,1,0,0,0,1|1,0,0]=3 5845 B15R1.42427 COC(=O)CCOc1c(cccc1Br)Cl 34a_100010214474_100000742370 [0,1,0,0,0,1|2,0,0]=4 5846 B15R1.42427 COC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000204255 [0,1,0,0,0,1|2,0,0]=4 5847 B15R1.42427 COC(=O)CCOc1c(cccc1Br)F 34a_100009813666_100000742370 [0,1,0,0,0,1|2,0,0]=4 5848 B15R1.42427 COC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000204255 [0,1,0,0,0,1|2,0,0]=4 5849 B15R1.42427 COC(=O)CCOc1c(cccc1Br)N 34a_100011934915_100000742370 [0,1,0,0,0,1|2,0,0]=4 5850 B15R1.42427 COC(=O)CCOc1c(cccc1C)C 34a_100000210341_100000742370 [0,1,0,0,0,1|0,0,0]=2 5851 B15R1.42427 COC(=O)CCOc1c(cccc1C)C 7a_100000210341_100000204255 [0,1,0,0,0,1|0,0,0]=2 5852 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)C 34a_100000033731_100000742370 [0,1,0,0,0,1|1,0,0]=3 5853 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)C 7a_100000033731_100000204255 [0,1,0,0,0,1|1,0,0]=3 5854 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000742370 [0,1,0,0,0,1|2,0,0]=4 5855 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000204255 [0,1,0,0,0,1|2,0,0]=4 5856 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)F 34a_100000694953_100000742370 [0,1,0,0,0,1|2,0,0]=4 5857 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000204255 [0,1,0,0,0,1|2,0,0]=4 5858 B15R1.42427 COC(=O)CCOc1c(cccc1Cl)N 34a_100000754742_100000742370 [0,1,0,0,0,1|2,0,0]=4 5859 B15R1.42427 COC(=O)CCOc1c(cccc1F)C 34a_100011659162_100000742370 [0,1,0,0,0,1|1,0,0]=3 5860 B15R1.42427 COC(=O)CCOc1c(cccc1F)C 7a_100011659162_100000204255 [0,1,0,0,0,1|1,0,0]=3 5861 B15R1.42427 COC(=O)CCOc1c(cccc1F)F 34a_100000230165_100000742370 [0,1,0,0,0,1|2,0,0]=4 5862 B15R1.42427 COC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000204255 [0,1,0,0,0,1|2,0,0]=4 5863 B15R1.42427 COC(=O)CCOc1c(cccc1F)N 34a_100011934987_100000742370 [0,1,0,0,0,1|2,0,0]=4 5864 B15R1.42427 COC(=O)CCOc1c(cccc1I)Br 34a_100010084509_100000742370 [0,1,0,0,0,1|2,0,0]=4 5865 B15R1.42427 COC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000204255 [0,1,0,0,0,1|2,0,0]=4 5866 B15R1.42427 COC(=O)CCOc1c(cccc1I)Cl 34a_100010202889_100000742370 [0,1,0,0,0,1|2,0,0]=4 5867 B15R1.42427 COC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000204255 [0,1,0,0,0,1|2,0,0]=4 5868 B15R1.42427 COC(=O)CCOc1c(cccc1I)F 34a_100010186298_100000742370 [0,1,0,0,0,1|2,0,0]=4 5869 B15R1.42427 COC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000204255 [0,1,0,0,0,1|2,0,0]=4 5870 B15R1.42427 COC(=O)CCOc1c(cccc1I)N 34a_100010084371_100000742370 [0,1,0,0,0,1|2,0,0]=4 5871 B15R1.42427 COC(=O)CCOc1c(cccc1N)C 34a_100000756359_100000742370 [0,1,0,0,0,1|1,0,0]=3 5872 B15R1.42427 COC(=O)CCOc1c(cccc1N)C 7a_100000756359_100000204255 [0,1,0,0,0,1|1,0,0]=3 5873 B15R1.42427 COC(=O)CCOc1c(cccc1N)N 34a_200016994477_100000742370 [0,1,0,0,0,1|2,0,0]=4 5874 B15R1.42427 COC(=O)CCOc1c(ccnc1C)C 34a_100011934651_100000742370 [0,1,0,0,0,1|1,0,0]=3 5875 B15R1.42427 COC(=O)CCOc1c(ccnc1C)C 7a_100011934651_100000204255 [0,1,0,0,0,1|1,0,0]=3 5876 B15R1.42427 COC(=O)CCOc1c(ccnc1Cl)C 34a_100000696282_100000742370 [0,1,0,0,0,1|2,0,0]=4 5877 B15R1.42427 COC(=O)CCOc1c(ccnc1Cl)C 7a_100000696282_100000204255 [0,1,0,0,0,1|2,0,0]=4 5878 B15R1.42427 COC(=O)CCOc1c(ncnc1C)C 34a_100009878406_100000742370 [0,1,0,0,0,1|2,0,0]=4 5879 B15R1.42427 COC(=O)CCOc1c(ncnc1C)C 7a_100009878406_100000204255 [0,1,0,0,0,1|2,0,0]=4 5880 B15R1.42427 COC(=O)CCOc1c(occc1=O)C 34a_100000031901_100000742370 [0,1,0,0,0,1|2,0,0]=4 5881 B15R1.42427 COC(=O)CCSc1c(cccc1Br)C 62a_100000204255_100010141302 [0,1,0,0,0,1|1,1,0]=4 5882 B15R1.42427 COC(=O)CCSc1c(cccc1Br)C 62a_100010141302_100000204255 [0,1,0,0,0,1|1,1,0]=4 5883 B15R1.42427 COC(=O)CCSc1c(cccc1C)C 62a_100000033847_100000204255 [0,1,0,0,0,1|0,1,0]=3 5884 B15R1.42427 COC(=O)CCSc1c(cccc1C)C 62a_100000204255_100000033847 [0,1,0,0,0,1|0,1,0]=3 5885 B15R1.42427 COC(=O)CCSc1c(cccc1Cl)C 62a_100000043165_100000204255 [0,1,0,0,0,1|1,1,0]=4 5886 B15R1.42427 COC(=O)CCSc1c(cccc1Cl)C 62a_100000204255_100000043165 [0,1,0,0,0,1|1,1,0]=4 5887 B15R1.42427 COC(=O)CCSc1c(cccc1F)C 62a_100000204255_100011218421 [0,1,0,0,0,1|1,1,0]=4 5888 B15R1.42427 COC(=O)CCSc1c(cccc1F)C 62a_100011218421_100000204255 [0,1,0,0,0,1|1,1,0]=4 5889 B15R1.42427 COC(=O)CCSc1c(cccc1N)C 62a_100000204255_100000684715 [0,1,0,0,0,1|1,1,0]=4 5890 B15R1.42427 COC(=O)CCSc1c(cccc1N)C 62a_100000684715_100000204255 [0,1,0,0,0,1|1,1,0]=4 5891 B15R1.42427 COC(=O)CCSc1c(cccc1O)C 62a_100000204255_100000686692 [0,1,0,0,0,1|1,1,0]=4 5892 B15R1.42427 COC(=O)CCSc1c(cccc1O)C 62a_100000686692_100000204255 [0,1,0,0,0,1|1,1,0]=4 5893 B15R1.42427 COC(=O)CCSc1c(ccnc1C)C 62a_100000204255_100012000501 [0,1,0,0,0,1|1,1,0]=4 5894 B15R1.42427 COC(=O)CCSc1c(ccnc1C)C 62a_100012000501_100000204255 [0,1,0,0,0,1|1,1,0]=4 5895 B15R1.42427 COC(=O)CCSc1c(cncc1C)C 62a_100000204255_100009817138 [0,1,0,0,0,1|1,1,0]=4 5896 B15R1.42427 COC(=O)CCSc1c(cncc1C)C 62a_100009817138_100000204255 [0,1,0,0,0,1|1,1,0]=4 5897 B15R1.42427 COC(=O)CNCc1c(cccc1C)C 34a_100000689800_100000747449 [0,1,0,0,0,1|1,0,0]=3 5898 B15R1.42427 COC(=O)CNCc1c(cccc1F)C 34a_100000762012_100000747449 [0,1,0,0,0,1|2,0,0]=4 5899 B15R1.42427 COC(=O)COCc1c(cccc1Br)Br 34a_100010172814_100000747449 [0,1,0,0,0,1|2,0,0]=4 5900 B15R1.42427 COC(=O)COCc1c(cccc1Br)Br 7a_100010172814_100000747449 [0,1,0,0,0,1|2,0,0]=4 5901 B15R1.42427 COC(=O)COCc1c(cccc1Br)F 34a_100012355691_100000747449 [0,1,0,0,0,1|2,0,0]=4 5902 B15R1.42427 COC(=O)COCc1c(cccc1Br)F 7a_100012355691_100000747449 [0,1,0,0,0,1|2,0,0]=4 5903 B15R1.42427 COC(=O)COCc1c(cccc1Br)N 34a_100000747656_100000747449 [0,1,0,0,0,1|2,0,0]=4 5904 B15R1.42427 COC(=O)COCc1c(cccc1C)C 34a_100011933981_100000747449 [0,1,0,0,0,1|0,0,0]=2 5905 B15R1.42427 COC(=O)COCc1c(cccc1C)C 7a_100011933981_100000747449 [0,1,0,0,0,1|0,0,0]=2 5906 B15R1.42427 COC(=O)COCc1c(cccc1Cl)C 34a_100000082531_100000747449 [0,1,0,0,0,1|1,0,0]=3 5907 B15R1.42427 COC(=O)COCc1c(cccc1Cl)C 7a_100000082531_100000747449 [0,1,0,0,0,1|1,0,0]=3 5908 B15R1.42427 COC(=O)COCc1c(cccc1Cl)Cl 34a_100000215722_100000747449 [0,1,0,0,0,1|2,0,0]=4 5909 B15R1.42427 COC(=O)COCc1c(cccc1Cl)Cl 7a_100000215722_100000747449 [0,1,0,0,0,1|2,0,0]=4 5910 B15R1.42427 COC(=O)COCc1c(cccc1Cl)F 34a_100000215723_100000747449 [0,1,0,0,0,1|2,0,0]=4 5911 B15R1.42427 COC(=O)COCc1c(cccc1Cl)F 7a_100000215723_100000747449 [0,1,0,0,0,1|2,0,0]=4 5912 B15R1.42427 COC(=O)COCc1c(cccc1Cl)N 34a_100011916388_100000747449 [0,1,0,0,0,1|2,0,0]=4 5913 B15R1.42427 COC(=O)COCc1c(cccc1F)C 34a_100000057874_100000747449 [0,1,0,0,0,1|1,0,0]=3 5914 B15R1.42427 COC(=O)COCc1c(cccc1F)C 7a_100000057874_100000747449 [0,1,0,0,0,1|1,0,0]=3 5915 B15R1.42427 COC(=O)COCc1c(cccc1F)F 34a_100000698215_100000747449 [0,1,0,0,0,1|2,0,0]=4 5916 B15R1.42427 COC(=O)COCc1c(cccc1F)F 7a_100000698215_100000747449 [0,1,0,0,0,1|2,0,0]=4 5917 B15R1.42427 COC(=O)COCc1c(cccc1F)N 34a_100011846719_100000747449 [0,1,0,0,0,1|2,0,0]=4 5918 B15R1.42427 COC(=O)COCc1c(cccc1I)F 34a_100010214973_100000747449 [0,1,0,0,0,1|2,0,0]=4 5919 B15R1.42427 COC(=O)COCc1c(cccc1I)F 7a_100010214973_100000747449 [0,1,0,0,0,1|2,0,0]=4 5920 B15R1.42427 COC(=O)CSCc1c(cccc1Br)C 62a_100000747449_100010146847 [0,1,0,0,0,1|1,1,0]=4 5921 B15R1.42427 COC(=O)CSCc1c(cccc1Br)C 62a_100010146847_100000747449 [0,1,0,0,0,1|1,1,0]=4 5922 B15R1.42427 COC(=O)CSCc1c(cccc1C)C 62a_100000747449_100000758300 [0,1,0,0,0,1|0,1,0]=3 5923 B15R1.42427 COC(=O)CSCc1c(cccc1C)C 62a_100000758300_100000747449 [0,1,0,0,0,1|0,1,0]=3 5924 B15R1.42427 COC(=O)CSCc1c(cccc1F)C 62a_100000747449_100009814554 [0,1,0,0,0,1|1,1,0]=4 5925 B15R1.42427 COC(=O)CSCc1c(cccc1F)C 62a_100009814554_100000747449 [0,1,0,0,0,1|1,1,0]=4 5926 B15R1.42427 COC(=O)CSCc1c(cccc1I)C 62a_100000747449_100010150146 [0,1,0,0,0,1|1,1,0]=4 5927 B15R1.42427 COC(=O)CSCc1c(cccc1I)C 62a_100010150146_100000747449 [0,1,0,0,0,1|1,1,0]=4 5928 B15R1.42427 COC(=O)OCSc1c(cccc1Br)C 62a_100010141302_100000139417 [0,1,0,0,0,1|1,1,0]=4 5929 B15R1.42427 COC(=O)OCSc1c(cccc1C)C 62a_100000033847_100000139417 [0,1,0,0,0,1|0,1,0]=3 5930 B15R1.42427 COC(=O)OCSc1c(cccc1Cl)C 62a_100000043165_100000139417 [0,1,0,0,0,1|1,1,0]=4 5931 B15R1.42427 COC(=O)OCSc1c(cccc1F)C 62a_100011218421_100000139417 [0,1,0,0,0,1|1,1,0]=4 5932 B15R1.42427 COC(=O)OCSc1c(cccc1N)C 62a_100000684715_100000139417 [0,1,0,0,0,1|1,1,0]=4 5933 B15R1.42427 COC(=O)OCSc1c(cccc1O)C 62a_100000686692_100000139417 [0,1,0,0,0,1|1,1,0]=4 5934 B15R1.42427 COC(=O)OCSc1c(ccnc1C)C 62a_100012000501_100000139417 [0,1,0,0,0,1|1,1,0]=4 5935 B15R1.42427 COC(=O)OCSc1c(cncc1C)C 62a_100009817138_100000139417 [0,1,0,0,0,1|1,1,0]=4 5936 B15R1.42427 COC(C)COCc1c(cccc1C)C 34a_100000690652_100000758300 [0,1,0,0,0,1|1,0,1]=4 5937 B15R1.42427 Cc1cccc(c1COCC(O)CO)C 34a_100011933981_100011219619 [0,1,0,0,0,1|0,0,2]=4 5938 B15R1.42427 Cc1cccc(c1COCC(O)CO)C 7a_100011933981_100011219619 [0,1,0,0,0,1|0,0,2]=4 5939 B15R1.42427 Cc1cccc(c1COC[C@@H](C)CO)C 34a_100011933981_100000059175 [0,1,0,0,0,1|1,0,1]=4 5940 B15R1.42427 Cc1cccc(c1COC[C@@H](C)CO)C 7a_100011933981_100000059175 [0,1,0,0,0,1|1,0,1]=4 5941 B15R1.42427 Cc1cccc(c1COC[C@@H](O)CF)C 34a_100011933981_100015614560 [0,1,0,0,0,1|1,0,1]=4 5942 B15R1.42427 Cc1cccc(c1COC[C@@H](O)CF)C 7a_100011933981_100015614560 [0,1,0,0,0,1|1,0,1]=4 5943 B15R1.42427 Cc1cccc(c1COC[C@@H](O)CO)C 34a_100011933981_100009815848 [0,1,0,0,0,1|0,0,2]=4 5944 B15R1.42427 Cc1cccc(c1COC[C@@H](O)CO)C 7a_100011933981_100009815848 [0,1,0,0,0,1|0,0,2]=4 5945 B15R1.42427 Cc1cccc(c1OCCC(=O)CF)C 1458a_200000738035_100015361967 [0,1,0,0,0,1|1,0,0]=3 5946 B15R1.42427 Cc1cccc(c1OCCC(=O)CO)C 1458a_100000210174_100000184555 [0,1,0,0,0,1|0,0,0]=2 5947 B15R1.42427 O=C(CO)CCOc1c(cccc1Cl)Cl 1458a_100000210174_100000184560 [0,1,0,0,0,1|2,0,0]=4 5948 B15R1.441 C=C(C)COc1c(cc(cc1CC)Br)C 34a_100010659108_100000748629 [0,2,0,0,0,0|2,0,0]=4 5949 B15R1.441 C=C(C)COc1c(cc(cc1CC)Br)C 7a_100010659108_100000748629 [0,2,0,0,0,0|2,0,0]=4 5950 B15R1.441 C=C(F)COc1c(cc(cc1CC)Br)C 34a_100010659108_100009893438 [0,2,0,0,0,0|2,0,0]=4 5951 B15R1.441 C=C(F)COc1c(cc(cc1CC)Br)C 7a_100010659108_100000042424 [0,2,0,0,0,0|2,0,0]=4 5952 B15R1.441 C=Cc1cc(cc(c1OCC(=O)N)C)C 271570a_100011290941_200010173088 [0,2,0,0,0,0|1,0,1]=4 5953 B15R1.441 CCc1cc(cc(c1NCC(=O)N)C)Br 2230a_200000186424_100000747473 [0,2,0,0,0,0|2,0,0]=4 5954 B15R1.441 CCc1cc(cc(c1NCC(=O)N)C)Br 34a_200000186424_100000187820 [0,2,0,0,0,0|2,0,0]=4 5955 B15R1.441 CCc1cc(cc(c1NCC(=O)N)C)Br 7a_200000186424_100000187820 [0,2,0,0,0,0|2,0,0]=4 5956 B15R1.441 CCc1cc(cc(c1NCC(=O)[O-])C)Br 34a_200000186424_100020667443 [0,2,0,0,0,0|1,0,1]=4 5957 B15R1.441 CCc1cc(cc(c1OCC(=O)N)C)Br 34a_100010659108_100000187820 [0,2,0,0,0,0|1,0,0]=3 5958 B15R1.441 CCc1cc(cc(c1OCC(=O)N)C)Br 7a_100010659108_100000187820 [0,2,0,0,0,0|1,0,0]=3 5959 B15R1.441 CCc1cc(cc(c1OCC(=O)[O-])C)Br 34a_100010659108_100020667443 [0,2,0,0,0,0|0,0,1]=3 5960 B15R1.441 CCc1cc(cc(c1OCC(C)O)C)Br 34a_100010659108_100011218427 [0,2,0,0,0,0|1,0,1]=4 5961 B15R1.441 CCc1cc(cc(c1OCC(C)O)C)Br 7a_100010659108_100011218427 [0,2,0,0,0,0|1,0,1]=4 5962 B15R1.441 CCc1cc(cc(c1OC[C@@H](C)O)C)Br 34a_100010659108_100009817552 [0,2,0,0,0,0|1,0,1]=4 5963 B15R1.441 CCc1cc(cc(c1OC[C@@H](C)O)C)Br 7a_100010659108_100009817552 [0,2,0,0,0,0|1,0,1]=4 5964 B15R1.441 CCc1cc(cc(c1OC[N+](=O)[O-])C)Br 34a_100010659108_100000761209 [0,2,0,0,0,0|1,0,1]=4 5965 B15R1.441 COc1cc(cc(c1NCC(=O)N)C)Br 34a_100000741850_100000187820 [0,2,0,0,0,0|2,0,0]=4 5966 B15R1.441 COc1cc(cc(c1NCC(=O)[O-])C)Br 34a_100000741850_100020667443 [0,2,0,0,0,0|1,0,1]=4 5967 B15R1.441 COc1cc(cc(c1OCC(=O)N)Br)F 34a_200010391102_100000187820 [0,2,0,0,0,0|2,0,0]=4 5968 B15R1.441 COc1cc(cc(c1OCC(=O)N)Br)F 7a_200010391102_100000187820 [0,2,0,0,0,0|2,0,0]=4 5969 B15R1.441 COc1cc(cc(c1OCC(=O)[O-])Br)F 34a_200010391102_100020667443 [0,2,0,0,0,0|1,0,1]=4 5970 B15R1.441 CSc1cc(cc(c1OCC(=O)N)C)C 62a_200000210301_200010173088 [0,2,0,0,0,0|1,0,0]=3 5971 B15R1.441 CSc1cc(cc(c1OCC(=O)N)C)C 62a_200010173088_200000210301 [0,2,0,0,0,0|1,0,0]=3 5972 B15R1.441 Cc1cc(c(c(c1)S[13CH3])OCC(=O)N)C 62a_200010173088_200025704644 [0,2,0,0,0,0|1,0,0]=3 5973 B15R1.441 Cc1cc(c(c(c1)S[13CH3])OCC(=O)N)C 62a_200025704644_200010173088 [0,2,0,0,0,0|1,0,0]=3 5974 B15R1.441 Cc1cc(cc(c1OCC(=O)N)C#N)Br 34a_100010195408_100000187820 [0,2,0,0,0,0|1,0,1]=4 5975 B15R1.441 Cc1cc(cc(c1OCC(=O)N)C#N)Br 7a_100010195408_100000187820 [0,2,0,0,0,0|1,0,1]=4 5976 B15R1.441 Cc1cc(cc(c1OCC(=O)[O-])C#N)Br 34a_100010195408_100020667443 [0,2,0,0,0,0|0,0,2]=4 5977 B15R1.441 NC(=O)COc1c(cc(cc1CBr)Br)Br 34a_200009814416_100000187820 [0,2,0,0,0,0|2,0,0]=4 5978 B15R1.441 NC(=O)COc1c(cc(cc1CBr)Br)Br 7a_200009814416_100000187820 [0,2,0,0,0,0|2,0,0]=4 5979 B15R1.441 NC(=O)COc1c(cc(cc1CO)Cl)Br 34a_100009812756_100000187820 [0,2,0,0,0,0|2,0,0]=4 5980 B15R1.441 NC(=O)COc1c(cc(cc1CO)Cl)Br 7a_100009812756_100000187820 [0,2,0,0,0,0|2,0,0]=4 5981 B15R1.441 O=C([O-])COc1c(cc(cc1CBr)Br)Br 34a_200009814416_100020667443 [0,2,0,0,0,0|1,0,1]=4 5982 B15R1.441 O=C([O-])COc1c(cc(cc1CO)Cl)Br 34a_100009812756_100020667443 [0,2,0,0,0,0|1,0,1]=4 5983 B15R1.1573 COc1cccc(c1C(=O)CC(=O)N)C 1458a_100000066212_100000187820 [0,2,0,0,0,0|2,0,0]=4 5984 B15R1.1573 COc1cccc(c1C(=O)CC(=O)[O-])C 1458a_100000066212_100020667443 [0,2,0,0,0,0|1,0,1]=4 5985 B15R1.1576 CCc1cccc(c1OCC(C)(C)O)C 34a_100000034007_100000764493 [0,2,0,0,0,0|1,0,1]=4 5986 B15R1.1576 CCc1cccc(c1OCC(C)(C)O)C 7a_100000034007_100000764493 [0,2,0,0,0,0|1,0,1]=4 5987 B15R1.1576 CCc1cccc(c1OCS(=O)(=O)[O-])C 34a_100000034007_100009817235 [0,2,0,0,0,0|1,0,1]=4 5988 B15R1.1576 COc1cccc(c1OCC(C)(C)O)C 34a_100011219253_100000764493 [0,2,0,0,0,0|1,0,1]=4 5989 B15R1.1576 COc1cccc(c1OCC(C)(C)O)C 7a_100011219253_100000764493 [0,2,0,0,0,0|1,0,1]=4 5990 B15R1.1576 COc1cccc(c1OCS(=O)(=O)[O-])C 34a_100011219253_100009817235 [0,2,0,0,0,0|1,0,1]=4 5991 B15R1.1576 Cc1cccc(c1OCC(C)(C)O)CN 34a_100020639391_100000764493 [0,2,0,0,0,0|1,0,1]=4 5992 B15R1.1576 Cc1cccc(c1OCS(=O)(=O)[O-])CN 34a_100020639391_100009817235 [0,2,0,0,0,0|1,0,1]=4 5993 B15R1.1605 CC(=O)C(C)Oc1c(cccc1C#N)C 7a_100011659161_100000179758 [0,2,0,0,0,0|1,0,1]=4 5994 B15R1.1605 CC(=O)C(C)Oc1c(cccc1CO)F 7a_100011997349_100000179758 [0,2,0,0,0,0|2,0,0]=4 5995 B15R1.1605 CC(=O)C(C)Sc1c(cccc1CO)C 62a_100009814033_100011659289 [0,2,0,0,0,0|1,1,0]=4 5996 B15R1.1605 CC(=O)C(C)Sc1c(cccc1CO)C 62a_100011659289_100009814033 [0,2,0,0,0,0|1,1,0]=4 5997 B15R1.1605 CC(Oc1c(cccc1CO)F)C(=O)N 34a_100011997349_100000702099 [0,2,0,0,0,0|2,0,0]=4 5998 B15R1.1605 CC(Oc1c(cccc1CO)F)C(=O)N 7a_100011997349_100000702099 [0,2,0,0,0,0|2,0,0]=4 5999 B15R1.1605 CCc1cccc(c1NC(C)C(=O)C)C 2230a_100000210048_100009814033 [0,2,0,0,0,0|2,0,0]=4 6000 B15R1.1605 CCc1cccc(c1NC(C)C(=O)C)C 7a_100000210048_100000179758 [0,2,0,0,0,0|2,0,0]=4 6001 B15R1.1605 CCc1cccc(c1NC(C)C(=O)N)C 2230a_100000210048_100000702099 [0,2,0,0,0,0|2,0,0]=4 6002 B15R1.1605 CCc1cccc(c1NC(C)C(=O)N)C 34a_100000210048_100000702099 [0,2,0,0,0,0|2,0,0]=4 6003 B15R1.1605 CCc1cccc(c1NC(C)C(=O)N)C 7a_100000210048_100000702099 [0,2,0,0,0,0|2,0,0]=4 6004 B15R1.1605 CCc1cccc(c1NC(F)C(=O)N)C 2230a_100000210048_100009813875 [0,2,0,0,0,0|2,0,0]=4 6005 B15R1.1605 CCc1cccc(c1NC(F)C(=O)N)C 34a_100000210048_100009813875 [0,2,0,0,0,0|2,0,0]=4 6006 B15R1.1605 CCc1cccc(c1NC(F)C(=O)N)C 7a_100000210048_100009813875 [0,2,0,0,0,0|2,0,0]=4 6007 B15R1.1605 CCc1cccc(c1NC(F)C(=O)[O-])C 34a_100000210048_100020610796 [0,2,0,0,0,0|1,0,1]=4 6008 B15R1.1605 CCc1cccc(c1OC(C)C(=O)C)Br 7a_200010001580_100000179758 [0,2,0,0,0,0|2,0,0]=4 6009 B15R1.1605 CCc1cccc(c1OC(C)C(=O)C)C 7a_100000034007_100000179758 [0,2,0,0,0,0|1,0,0]=3 6010 B15R1.1605 CCc1cccc(c1OC(C)C(=O)N)Br 34a_200010001580_100000702099 [0,2,0,0,0,0|2,0,0]=4 6011 B15R1.1605 CCc1cccc(c1OC(C)C(=O)N)Br 7a_200010001580_100000702099 [0,2,0,0,0,0|2,0,0]=4 6012 B15R1.1605 CCc1cccc(c1OC(C)C(=O)N)C 34a_100000034007_100000702099 [0,2,0,0,0,0|1,0,0]=3 6013 B15R1.1605 CCc1cccc(c1OC(C)C(=O)N)C 7a_100000034007_100000702099 [0,2,0,0,0,0|1,0,0]=3 6014 B15R1.1605 CCc1cccc(c1OC(F)C(=O)N)Br 34a_200010001580_100009813875 [0,2,0,0,0,0|2,0,0]=4 6015 B15R1.1605 CCc1cccc(c1OC(F)C(=O)N)Br 7a_200010001580_100009813875 [0,2,0,0,0,0|2,0,0]=4 6016 B15R1.1605 CCc1cccc(c1OC(F)C(=O)N)C 34a_100000034007_100009813875 [0,2,0,0,0,0|1,0,0]=3 6017 B15R1.1605 CCc1cccc(c1OC(F)C(=O)N)C 7a_100000034007_100009813875 [0,2,0,0,0,0|1,0,0]=3 6018 B15R1.1605 CCc1cccc(c1OC(F)C(=O)[O-])Br 34a_200010001580_100020610796 [0,2,0,0,0,0|1,0,1]=4 6019 B15R1.1605 CCc1cccc(c1OC(F)C(=O)[O-])C 34a_100000034007_100020610796 [0,2,0,0,0,0|0,0,1]=3 6020 B15R1.1605 CCc1cccc(c1SC(C)C(=O)C)C 62a_100000036235_100009814033 [0,2,0,0,0,0|1,1,0]=4 6021 B15R1.1605 CCc1cccc(c1SC(C)C(=O)C)C 62a_100009814033_100000036235 [0,2,0,0,0,0|1,1,0]=4 6022 B15R1.1605 CCc1cccc(c1SC(C)C(=O)N)C 62a_100000036235_100000702099 [0,2,0,0,0,0|1,1,0]=4 6023 B15R1.1605 CCc1cccc(c1SC(C)C(=O)N)C 62a_100000702099_100000036235 [0,2,0,0,0,0|1,1,0]=4 6024 B15R1.1605 CCc1cccc(c1SC(F)C(=O)N)C 62a_100000036235_100009813875 [0,2,0,0,0,0|1,1,0]=4 6025 B15R1.1605 CCc1cccc(c1SC(F)C(=O)N)C 62a_100009813875_100000036235 [0,2,0,0,0,0|1,1,0]=4 6026 B15R1.1605 CCc1cccc(c1SC(F)C(=O)[O-])C 62a_100000036235_100020610796 [0,2,0,0,0,0|0,1,1]=4 6027 B15R1.1605 CCc1cccc(c1SC(F)C(=O)[O-])C 62a_100020610796_100000036235 [0,2,0,0,0,0|0,1,1]=4 6028 B15R1.1605 COc1cccc(c1NC(C)C(=O)C)C 2230a_100000758225_100009814033 [0,2,0,0,0,0|2,0,0]=4 6029 B15R1.1605 COc1cccc(c1NC(C)C(=O)N)C 2230a_100000758225_100000702099 [0,2,0,0,0,0|2,0,0]=4 6030 B15R1.1605 COc1cccc(c1NC(C)C(=O)N)C 34a_100000758225_100000702099 [0,2,0,0,0,0|2,0,0]=4 6031 B15R1.1605 COc1cccc(c1NC(F)C(=O)N)C 2230a_100000758225_100009813875 [0,2,0,0,0,0|2,0,0]=4 6032 B15R1.1605 COc1cccc(c1NC(F)C(=O)N)C 34a_100000758225_100009813875 [0,2,0,0,0,0|2,0,0]=4 6033 B15R1.1605 COc1cccc(c1NC(F)C(=O)[O-])C 34a_100000758225_100020610796 [0,2,0,0,0,0|1,0,1]=4 6034 B15R1.1605 COc1cccc(c1OC(C)C(=O)C)C 7a_100011219253_100000179758 [0,2,0,0,0,0|1,0,0]=3 6035 B15R1.1605 COc1cccc(c1OC(C)C(=O)C)Cl 7a_100009851661_100000179758 [0,2,0,0,0,0|2,0,0]=4 6036 B15R1.1605 COc1cccc(c1OC(C)C(=O)C)F 7a_100000036725_100000179758 [0,2,0,0,0,0|2,0,0]=4 6037 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)Br 34a_100000686866_100000702099 [0,2,0,0,0,0|2,0,0]=4 6038 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)C 34a_100011219253_100000702099 [0,2,0,0,0,0|1,0,0]=3 6039 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)C 7a_100011219253_100000702099 [0,2,0,0,0,0|1,0,0]=3 6040 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)Cl 34a_100009851661_100000702099 [0,2,0,0,0,0|2,0,0]=4 6041 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)Cl 7a_100009851661_100000702099 [0,2,0,0,0,0|2,0,0]=4 6042 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)F 34a_100000036725_100000702099 [0,2,0,0,0,0|2,0,0]=4 6043 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)F 7a_100000036725_100000702099 [0,2,0,0,0,0|2,0,0]=4 6044 B15R1.1605 COc1cccc(c1OC(C)C(=O)N)N 34a_100000123586_100000702099 [0,2,0,0,0,0|2,0,0]=4 6045 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)Br 34a_100000686866_100009813875 [0,2,0,0,0,0|2,0,0]=4 6046 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)C 34a_100011219253_100009813875 [0,2,0,0,0,0|1,0,0]=3 6047 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)C 7a_100011219253_100009813875 [0,2,0,0,0,0|1,0,0]=3 6048 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)Cl 34a_100009851661_100009813875 [0,2,0,0,0,0|2,0,0]=4 6049 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)Cl 7a_100009851661_100009813875 [0,2,0,0,0,0|2,0,0]=4 6050 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)F 34a_100000036725_100009813875 [0,2,0,0,0,0|2,0,0]=4 6051 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)F 7a_100000036725_100009813875 [0,2,0,0,0,0|2,0,0]=4 6052 B15R1.1605 COc1cccc(c1OC(F)C(=O)N)N 34a_100000123586_100009813875 [0,2,0,0,0,0|2,0,0]=4 6053 B15R1.1605 COc1cccc(c1OC(F)C(=O)[O-])Br 34a_100000686866_100020610796 [0,2,0,0,0,0|1,0,1]=4 6054 B15R1.1605 COc1cccc(c1OC(F)C(=O)[O-])C 34a_100011219253_100020610796 [0,2,0,0,0,0|0,0,1]=3 6055 B15R1.1605 COc1cccc(c1OC(F)C(=O)[O-])Cl 34a_100009851661_100020610796 [0,2,0,0,0,0|1,0,1]=4 6056 B15R1.1605 COc1cccc(c1OC(F)C(=O)[O-])F 34a_100000036725_100020610796 [0,2,0,0,0,0|1,0,1]=4 6057 B15R1.1605 COc1cccc(c1OC(F)C(=O)[O-])N 34a_100000123586_100020610796 [0,2,0,0,0,0|1,0,1]=4 6058 B15R1.1605 COc1cccc(c1SC(C)C(=O)C)C 62a_100009814033_100010191535 [0,2,0,0,0,0|1,1,0]=4 6059 B15R1.1605 COc1cccc(c1SC(C)C(=O)C)C 62a_100010191535_100009814033 [0,2,0,0,0,0|1,1,0]=4 6060 B15R1.1605 COc1cccc(c1SC(C)C(=O)N)C 62a_100000702099_100010191535 [0,2,0,0,0,0|1,1,0]=4 6061 B15R1.1605 COc1cccc(c1SC(C)C(=O)N)C 62a_100010191535_100000702099 [0,2,0,0,0,0|1,1,0]=4 6062 B15R1.1605 COc1cccc(c1SC(F)C(=O)N)C 62a_100009813875_100010191535 [0,2,0,0,0,0|1,1,0]=4 6063 B15R1.1605 COc1cccc(c1SC(F)C(=O)N)C 62a_100010191535_100009813875 [0,2,0,0,0,0|1,1,0]=4 6064 B15R1.1605 COc1cccc(c1SC(F)C(=O)[O-])C 62a_100010191535_100020610796 [0,2,0,0,0,0|0,1,1]=4 6065 B15R1.1605 COc1cccc(c1SC(F)C(=O)[O-])C 62a_100020610796_100010191535 [0,2,0,0,0,0|0,1,1]=4 6066 B15R1.1605 Cc1cccc(c1NC(C)C(=O)N)CO 34a_100011215590_100000702099 [0,2,0,0,0,0|2,0,0]=4 6067 B15R1.1605 Cc1cccc(c1NC(F)C(=O)N)CO 34a_100011215590_100009813875 [0,2,0,0,0,0|2,0,0]=4 6068 B15R1.1605 Cc1cccc(c1NC(F)C(=O)[O-])CO 34a_100011215590_100020610796 [0,2,0,0,0,0|1,0,1]=4 6069 B15R1.1605 Cc1cccc(c1OC(C)C(=O)N)C#N 34a_100011659161_100000702099 [0,2,0,0,0,0|1,0,1]=4 6070 B15R1.1605 Cc1cccc(c1OC(C)C(=O)N)C#N 7a_100011659161_100000702099 [0,2,0,0,0,0|1,0,1]=4 6071 B15R1.1605 Cc1cccc(c1OC(C)C(=O)N)CN 34a_100020639391_100000702099 [0,2,0,0,0,0|1,0,0]=3 6072 B15R1.1605 Cc1cccc(c1OC(F)C(=O)N)C#N 34a_100011659161_100009813875 [0,2,0,0,0,0|1,0,1]=4 6073 B15R1.1605 Cc1cccc(c1OC(F)C(=O)N)C#N 7a_100011659161_100009813875 [0,2,0,0,0,0|1,0,1]=4 6074 B15R1.1605 Cc1cccc(c1OC(F)C(=O)N)CN 34a_100020639391_100009813875 [0,2,0,0,0,0|1,0,0]=3 6075 B15R1.1605 Cc1cccc(c1OC(F)C(=O)[O-])C#N 34a_100011659161_100020610796 [0,2,0,0,0,0|0,0,2]=4 6076 B15R1.1605 Cc1cccc(c1OC(F)C(=O)[O-])CN 34a_100020639391_100020610796 [0,2,0,0,0,0|0,0,1]=3 6077 B15R1.1605 Cc1cccc(c1SC(C)C(=O)N)CO 62a_100000702099_100011659289 [0,2,0,0,0,0|1,1,0]=4 6078 B15R1.1605 Cc1cccc(c1SC(C)C(=O)N)CO 62a_100011659289_100000702099 [0,2,0,0,0,0|1,1,0]=4 6079 B15R1.1605 Cc1cccc(c1SC(F)C(=O)N)CO 62a_100009813875_100011659289 [0,2,0,0,0,0|1,1,0]=4 6080 B15R1.1605 Cc1cccc(c1SC(F)C(=O)N)CO 62a_100011659289_100009813875 [0,2,0,0,0,0|1,1,0]=4 6081 B15R1.1605 Cc1cccc(c1SC(F)C(=O)[O-])CO 62a_100011659289_100020610796 [0,2,0,0,0,0|0,1,1]=4 6082 B15R1.1605 Cc1cccc(c1SC(F)C(=O)[O-])CO 62a_100020610796_100011659289 [0,2,0,0,0,0|0,1,1]=4 6083 B15R1.1605 NC(=O)C(F)Oc1c(cccc1CO)F 34a_100011997349_100009813875 [0,2,0,0,0,0|2,0,0]=4 6084 B15R1.1605 NC(=O)C(F)Oc1c(cccc1CO)F 7a_100011997349_100009813875 [0,2,0,0,0,0|2,0,0]=4 6085 B15R1.1605 O=C([O-])C(F)Oc1c(cccc1CO)F 34a_100011997349_100020610796 [0,2,0,0,0,0|1,0,1]=4 6086 B15R1.1645 C=C(C)COc1c(cccc1CC)CC 34a_100000078057_100000748629 [0,2,0,0,0,0|2,0,0]=4 6087 B15R1.1645 C=C(C)COc1c(cccc1CC)CC 7a_100000078057_100000748629 [0,2,0,0,0,0|2,0,0]=4 6088 B15R1.1645 C=C(C)COc1c(cccc1OC)CO 34a_100011218668_100000748629 [0,2,0,0,0,0|2,0,0]=4 6089 B15R1.1645 C=C(C)COc1c(cccc1OC)OC 34a_100000211025_100000748629 [0,2,0,0,0,0|2,0,0]=4 6090 B15R1.1645 C=C(F)COc1c(cccc1CC)CC 34a_100000078057_100009893438 [0,2,0,0,0,0|2,0,0]=4 6091 B15R1.1645 C=C(F)COc1c(cccc1CC)CC 7a_100000078057_100000042424 [0,2,0,0,0,0|2,0,0]=4 6092 B15R1.1645 C=C(F)COc1c(cccc1OC)CO 34a_100011218668_100009893438 [0,2,0,0,0,0|2,0,0]=4 6093 B15R1.1645 C=C(F)COc1c(cccc1OC)OC 34a_100000211025_100009893438 [0,2,0,0,0,0|2,0,0]=4 6094 B15R1.1645 CCc1cccc(c1NCC(=O)N)CC 2230a_100000211307_100000747473 [0,2,0,0,0,0|2,0,0]=4 6095 B15R1.1645 CCc1cccc(c1NCC(=O)N)CC 34a_100000211307_100000187820 [0,2,0,0,0,0|2,0,0]=4 6096 B15R1.1645 CCc1cccc(c1NCC(=O)N)CC 7a_100000211307_100000187820 [0,2,0,0,0,0|2,0,0]=4 6097 B15R1.1645 CCc1cccc(c1NCC(=O)[O-])CC 34a_100000211307_100020667443 [0,2,0,0,0,0|1,0,1]=4 6098 B15R1.1645 CCc1cccc(c1OCC(=O)N)CC 34a_100000078057_100000187820 [0,2,0,0,0,0|1,0,0]=3 6099 B15R1.1645 CCc1cccc(c1OCC(=O)N)CC 7a_100000078057_100000187820 [0,2,0,0,0,0|1,0,0]=3 6100 B15R1.1645 CCc1cccc(c1OCC(=O)[O-])CC 34a_100000078057_100020667443 [0,2,0,0,0,0|0,0,1]=3 6101 B15R1.1645 CCc1cccc(c1OCC(C)O)CC 34a_100000078057_100011218427 [0,2,0,0,0,0|1,0,1]=4 6102 B15R1.1645 CCc1cccc(c1OCC(C)O)CC 7a_100000078057_100011218427 [0,2,0,0,0,0|1,0,1]=4 6103 B15R1.1645 CCc1cccc(c1OC[C@@H](C)O)CC 34a_100000078057_100009817552 [0,2,0,0,0,0|1,0,1]=4 6104 B15R1.1645 CCc1cccc(c1OC[C@@H](C)O)CC 7a_100000078057_100009817552 [0,2,0,0,0,0|1,0,1]=4 6105 B15R1.1645 CCc1cccc(c1OC[N+](=O)[O-])CC 34a_100000078057_100000761209 [0,2,0,0,0,0|1,0,1]=4 6106 B15R1.1645 CCc1cccc(c1SCC(=O)N)CC 62a_100000747473_100010212195 [0,2,0,0,0,0|1,1,0]=4 6107 B15R1.1645 CCc1cccc(c1SCC(=O)N)CC 62a_100010212195_100000747473 [0,2,0,0,0,0|1,1,0]=4 6108 B15R1.1645 CCc1cccc(c1SCC(=O)[O-])CC 62a_100010212195_100020667443 [0,2,0,0,0,0|0,1,1]=4 6109 B15R1.1645 CCc1cccc(c1SCC(=O)[O-])CC 62a_100020667443_100010212195 [0,2,0,0,0,0|0,1,1]=4 6110 B15R1.1645 COc1cccc(c1NCC(=O)N)CO 34a_100011999522_100000187820 [0,2,0,0,0,0|2,0,0]=4 6111 B15R1.1645 COc1cccc(c1NCC(=O)N)OC 2230a_100011218430_100000747473 [0,2,0,0,0,0|2,0,0]=4 6112 B15R1.1645 COc1cccc(c1NCC(=O)N)OC 34a_100011218430_100000187820 [0,2,0,0,0,0|2,0,0]=4 6113 B15R1.1645 COc1cccc(c1NCC(=O)N)SC 2230a_200012283368_100000747473 [0,2,0,0,0,0|2,0,0]=4 6114 B15R1.1645 COc1cccc(c1NCC(=O)N)SC 34a_200012283368_100000187820 [0,2,0,0,0,0|2,0,0]=4 6115 B15R1.1645 COc1cccc(c1NCC(=O)[O-])CO 34a_100011999522_100020667443 [0,2,0,0,0,0|1,0,1]=4 6116 B15R1.1645 COc1cccc(c1NCC(=O)[O-])OC 34a_100011218430_100020667443 [0,2,0,0,0,0|1,0,1]=4 6117 B15R1.1645 COc1cccc(c1NCC(=O)[O-])SC 34a_200012283368_100020667443 [0,2,0,0,0,0|1,0,1]=4 6118 B15R1.1645 COc1cccc(c1OCC(=O)C)OC 1458a_200011194241_200000210301 [0,2,0,0,0,0|1,0,0]=3 6119 B15R1.1645 COc1cccc(c1OCC(=O)N)C#N 34a_100011934230_100000187820 [0,2,0,0,0,0|1,0,1]=4 6120 B15R1.1645 COc1cccc(c1OCC(=O)N)CO 34a_100011218668_100000187820 [0,2,0,0,0,0|1,0,0]=3 6121 B15R1.1645 COc1cccc(c1OCC(=O)N)OC 34a_100000211025_100000187820 [0,2,0,0,0,0|1,0,0]=3 6122 B15R1.1645 COc1cccc(c1OCC(=O)[13CH3])OC 1458a_200011194241_200025704644 [0,2,0,0,0,0|1,0,0]=3 6123 B15R1.1645 COc1cccc(c1OCC(=O)[O-])C#N 34a_100011934230_100020667443 [0,2,0,0,0,0|0,0,2]=4 6124 B15R1.1645 COc1cccc(c1OCC(=O)[O-])CO 34a_100011218668_100020667443 [0,2,0,0,0,0|0,0,1]=3 6125 B15R1.1645 COc1cccc(c1OCC(=O)[O-])OC 34a_100000211025_100020667443 [0,2,0,0,0,0|0,0,1]=3 6126 B15R1.1645 COc1cccc(c1OCC(C)O)CO 34a_100011218668_100011218427 [0,2,0,0,0,0|1,0,1]=4 6127 B15R1.1645 COc1cccc(c1OCC(C)O)OC 34a_100000211025_100011218427 [0,2,0,0,0,0|1,0,1]=4 6128 B15R1.1645 COc1cccc(c1OC[C@@H](C)O)CO 34a_100011218668_100009817552 [0,2,0,0,0,0|1,0,1]=4 6129 B15R1.1645 COc1cccc(c1OC[C@@H](C)O)OC 34a_100000211025_100009817552 [0,2,0,0,0,0|1,0,1]=4 6130 B15R1.1645 COc1cccc(c1OC[N+](=O)[O-])CO 34a_100011218668_100000761209 [0,2,0,0,0,0|1,0,1]=4 6131 B15R1.1645 COc1cccc(c1OC[N+](=O)[O-])OC 34a_100000211025_100000761209 [0,2,0,0,0,0|1,0,1]=4 6132 B15R1.1645 COc1cccc(c1SCC(=O)N)CO 62a_100000747473_100010236476 [0,2,0,0,0,0|1,1,0]=4 6133 B15R1.1645 COc1cccc(c1SCC(=O)N)CO 62a_100010236476_100000747473 [0,2,0,0,0,0|1,1,0]=4 6134 B15R1.1645 COc1cccc(c1SCC(=O)N)OC 62a_100000690108_100000747473 [0,2,0,0,0,0|1,1,0]=4 6135 B15R1.1645 COc1cccc(c1SCC(=O)N)OC 62a_100000747473_100000690108 [0,2,0,0,0,0|1,1,0]=4 6136 B15R1.1645 COc1cccc(c1SCC(=O)[O-])CO 62a_100010236476_100020667443 [0,2,0,0,0,0|0,1,1]=4 6137 B15R1.1645 COc1cccc(c1SCC(=O)[O-])CO 62a_100020667443_100010236476 [0,2,0,0,0,0|0,1,1]=4 6138 B15R1.1645 COc1cccc(c1SCC(=O)[O-])OC 62a_100000690108_100020667443 [0,2,0,0,0,0|0,1,1]=4 6139 B15R1.1645 COc1cccc(c1SCC(=O)[O-])OC 62a_100020667443_100000690108 [0,2,0,0,0,0|0,1,1]=4 6140 B15R1.1646 C=C(C#N)COc1c(cccc1CC)C 34a_100000034007_100000694840 [0,2,0,0,0,0|2,0,0]=4 6141 B15R1.1646 C=C(C#N)COc1c(cccc1CN)C 34a_100020639391_100000694840 [0,2,0,0,0,0|2,0,0]=4 6142 B15R1.1646 C=C(C#N)COc1c(cccc1OC)C 34a_100011219253_100000694840 [0,2,0,0,0,0|2,0,0]=4 6143 B15R1.1646 C=CC(O)COc1c(cccc1CC)C 34a_100000034007_100000730141 [0,2,0,0,0,0|1,0,1]=4 6144 B15R1.1646 C=CC(O)COc1c(cccc1CC)C 7a_100000034007_100000730141 [0,2,0,0,0,0|1,0,1]=4 6145 B15R1.1646 C=CC(O)COc1c(cccc1CN)C 34a_100020639391_100000730141 [0,2,0,0,0,0|1,0,1]=4 6146 B15R1.1646 C=CC(O)COc1c(cccc1OC)C 34a_100011219253_100000730141 [0,2,0,0,0,0|1,0,1]=4 6147 B15R1.1646 C=CC(O)COc1c(cccc1OC)C 7a_100011219253_100000730141 [0,2,0,0,0,0|1,0,1]=4 6148 B15R1.1646 CCC(=O)CNc1c(cccc1CC)C 7a_100000210048_100000747405 [0,2,0,0,0,0|2,0,0]=4 6149 B15R1.1646 CCC(=O)COc1c(cccc1C#N)C 7a_100011659161_100000747405 [0,2,0,0,0,0|1,0,1]=4 6150 B15R1.1646 CCC(=O)COc1c(cccc1CC)Br 7a_200010001580_100000747405 [0,2,0,0,0,0|2,0,0]=4 6151 B15R1.1646 CCC(=O)COc1c(cccc1CC)C 7a_100000034007_100000747405 [0,2,0,0,0,0|1,0,0]=3 6152 B15R1.1646 CCC(=O)COc1c(cccc1CO)F 7a_100011997349_100000747405 [0,2,0,0,0,0|2,0,0]=4 6153 B15R1.1646 CCC(=O)COc1c(cccc1OC)C 7a_100011219253_100000747405 [0,2,0,0,0,0|1,0,0]=3 6154 B15R1.1646 CCC(=O)COc1c(cccc1OC)Cl 7a_100009851661_100000747405 [0,2,0,0,0,0|2,0,0]=4 6155 B15R1.1646 CCC(=O)COc1c(cccc1OC)F 7a_100000036725_100000747405 [0,2,0,0,0,0|2,0,0]=4 6156 B15R1.1646 CCC(=O)CSc1c(cccc1CC)C 62a_100000036235_100000747405 [0,2,0,0,0,0|1,1,0]=4 6157 B15R1.1646 CCC(=O)CSc1c(cccc1CC)C 62a_100000747405_100000036235 [0,2,0,0,0,0|1,1,0]=4 6158 B15R1.1646 CCC(=O)CSc1c(cccc1CO)C 62a_100000747405_100011659289 [0,2,0,0,0,0|1,1,0]=4 6159 B15R1.1646 CCC(=O)CSc1c(cccc1CO)C 62a_100011659289_100000747405 [0,2,0,0,0,0|1,1,0]=4 6160 B15R1.1646 CCC(=O)CSc1c(cccc1OC)C 62a_100000747405_100010191535 [0,2,0,0,0,0|1,1,0]=4 6161 B15R1.1646 CCC(=O)CSc1c(cccc1OC)C 62a_100010191535_100000747405 [0,2,0,0,0,0|1,1,0]=4 6162 B15R1.1646 CCC(O)COc1c(cccc1CN)C 34a_100020639391_100011218378 [0,2,0,0,0,0|1,0,1]=4 6163 B15R1.1646 CCC(O)COc1c(cccc1OC)C 34a_100011219253_100011218378 [0,2,0,0,0,0|1,0,1]=4 6164 B15R1.1646 CCC(O)COc1c(cccc1OC)C 7a_100011219253_100011218378 [0,2,0,0,0,0|1,0,1]=4 6165 B15R1.1646 CCc1cccc(c1NCC(=O)NC)C 2230a_100000210048_100000183359 [0,2,0,0,0,0|2,0,0]=4 6166 B15R1.1646 CCc1cccc(c1NCC(=O)NC)C 34a_100000210048_100000183359 [0,2,0,0,0,0|2,0,0]=4 6167 B15R1.1646 CCc1cccc(c1NCC(=O)NC)C 7a_100000210048_100000183359 [0,2,0,0,0,0|2,0,0]=4 6168 B15R1.1646 CCc1cccc(c1NCC(=O)OC)C 2230a_100000210048_100000747449 [0,2,0,0,0,0|1,0,0]=3 6169 B15R1.1646 CCc1cccc(c1NCC(=O)OC)C 34a_100000210048_100000747449 [0,2,0,0,0,0|1,0,0]=3 6170 B15R1.1646 CCc1cccc(c1NCC(=O)OC)C 7a_100000210048_100000747449 [0,2,0,0,0,0|1,0,0]=3 6171 B15R1.1646 CCc1cccc(c1NNC(=O)CO)C 22a_100000726828_100000210174 [0,2,0,0,0,0|2,0,0]=4 6172 B15R1.1646 CCc1cccc(c1OCC(=O)NC)Br 34a_200010001580_100000183359 [0,2,0,0,0,0|2,0,0]=4 6173 B15R1.1646 CCc1cccc(c1OCC(=O)NC)Br 7a_200010001580_100000183359 [0,2,0,0,0,0|2,0,0]=4 6174 B15R1.1646 CCc1cccc(c1OCC(=O)NC)C 34a_100000034007_100000183359 [0,2,0,0,0,0|1,0,0]=3 6175 B15R1.1646 CCc1cccc(c1OCC(=O)NC)C 7a_100000034007_100000183359 [0,2,0,0,0,0|1,0,0]=3 6176 B15R1.1646 CCc1cccc(c1OCC(=O)OC)Br 34a_200010001580_100000747449 [0,2,0,0,0,0|1,0,0]=3 6177 B15R1.1646 CCc1cccc(c1OCC(=O)OC)Br 7a_200010001580_100000747449 [0,2,0,0,0,0|1,0,0]=3 6178 B15R1.1646 CCc1cccc(c1OCC(=O)OC)C 34a_100000034007_100000747449 [0,2,0,0,0,0|0,0,0]=2 6179 B15R1.1646 CCc1cccc(c1OCC(=O)OC)C 7a_100000034007_100000747449 [0,2,0,0,0,0|0,0,0]=2 6180 B15R1.1646 CCc1cccc(c1OCC(O)CC)C 34a_100000034007_100011218378 [0,2,0,0,0,0|1,0,1]=4 6181 B15R1.1646 CCc1cccc(c1OCC(O)CC)C 7a_100000034007_100011218378 [0,2,0,0,0,0|1,0,1]=4 6182 B15R1.1646 CCc1cccc(c1OCC(O)CO)C 34a_100000034007_100011219619 [0,2,0,0,0,0|0,0,2]=4 6183 B15R1.1646 CCc1cccc(c1OCC(O)CO)C 7a_100000034007_100011219619 [0,2,0,0,0,0|0,0,2]=4 6184 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)C 34a_100000034007_100000059175 [0,2,0,0,0,0|1,0,1]=4 6185 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)C 7a_100000034007_100000059175 [0,2,0,0,0,0|1,0,1]=4 6186 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)C 34a_100000034007_100015614560 [0,2,0,0,0,0|1,0,1]=4 6187 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)C 7a_100000034007_100015614560 [0,2,0,0,0,0|1,0,1]=4 6188 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)C 34a_100000034007_100009815848 [0,2,0,0,0,0|0,0,2]=4 6189 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)C 7a_100000034007_100009815848 [0,2,0,0,0,0|0,0,2]=4 6190 B15R1.1646 CCc1cccc(c1SCC(=O)NC)C 62a_100000036235_100000183359 [0,2,0,0,0,0|1,1,0]=4 6191 B15R1.1646 CCc1cccc(c1SCC(=O)NC)C 62a_100000183359_100000036235 [0,2,0,0,0,0|1,1,0]=4 6192 B15R1.1646 CCc1cccc(c1SCC(=O)OC)C 62a_100000036235_100000747449 [0,2,0,0,0,0|0,1,0]=3 6193 B15R1.1646 CCc1cccc(c1SCC(=O)OC)C 62a_100000747449_100000036235 [0,2,0,0,0,0|0,1,0]=3 6194 B15R1.1646 CCc1occc(=O)c1OCC(=O)OC 34a_100000033269_100000747449 [0,2,0,0,0,0|2,0,0]=4 6195 B15R1.1646 CNC(=O)CNc1c(cccc1CO)C 34a_100011215590_100000183359 [0,2,0,0,0,0|2,0,0]=4 6196 B15R1.1646 CNC(=O)CNc1c(cccc1OC)C 2230a_100000758225_100000183359 [0,2,0,0,0,0|2,0,0]=4 6197 B15R1.1646 CNC(=O)CNc1c(cccc1OC)C 34a_100000758225_100000183359 [0,2,0,0,0,0|2,0,0]=4 6198 B15R1.1646 CNC(=O)COc1c(cccc1C#N)C 34a_100011659161_100000183359 [0,2,0,0,0,0|1,0,1]=4 6199 B15R1.1646 CNC(=O)COc1c(cccc1C#N)C 7a_100011659161_100000183359 [0,2,0,0,0,0|1,0,1]=4 6200 B15R1.1646 CNC(=O)COc1c(cccc1CN)C 34a_100020639391_100000183359 [0,2,0,0,0,0|1,0,0]=3 6201 B15R1.1646 CNC(=O)COc1c(cccc1CO)F 34a_100011997349_100000183359 [0,2,0,0,0,0|2,0,0]=4 6202 B15R1.1646 CNC(=O)COc1c(cccc1CO)F 7a_100011997349_100000183359 [0,2,0,0,0,0|2,0,0]=4 6203 B15R1.1646 CNC(=O)COc1c(cccc1OC)Br 34a_100000686866_100000183359 [0,2,0,0,0,0|2,0,0]=4 6204 B15R1.1646 CNC(=O)COc1c(cccc1OC)C 34a_100011219253_100000183359 [0,2,0,0,0,0|1,0,0]=3 6205 B15R1.1646 CNC(=O)COc1c(cccc1OC)C 7a_100011219253_100000183359 [0,2,0,0,0,0|1,0,0]=3 6206 B15R1.1646 CNC(=O)COc1c(cccc1OC)Cl 34a_100009851661_100000183359 [0,2,0,0,0,0|2,0,0]=4 6207 B15R1.1646 CNC(=O)COc1c(cccc1OC)Cl 7a_100009851661_100000183359 [0,2,0,0,0,0|2,0,0]=4 6208 B15R1.1646 CNC(=O)COc1c(cccc1OC)F 34a_100000036725_100000183359 [0,2,0,0,0,0|2,0,0]=4 6209 B15R1.1646 CNC(=O)COc1c(cccc1OC)F 7a_100000036725_100000183359 [0,2,0,0,0,0|2,0,0]=4 6210 B15R1.1646 CNC(=O)COc1c(cccc1OC)N 34a_100000123586_100000183359 [0,2,0,0,0,0|2,0,0]=4 6211 B15R1.1646 CNC(=O)CSc1c(cccc1CO)C 62a_100000183359_100011659289 [0,2,0,0,0,0|1,1,0]=4 6212 B15R1.1646 CNC(=O)CSc1c(cccc1CO)C 62a_100011659289_100000183359 [0,2,0,0,0,0|1,1,0]=4 6213 B15R1.1646 CNC(=O)CSc1c(cccc1OC)C 62a_100000183359_100010191535 [0,2,0,0,0,0|1,1,0]=4 6214 B15R1.1646 CNC(=O)CSc1c(cccc1OC)C 62a_100010191535_100000183359 [0,2,0,0,0,0|1,1,0]=4 6215 B15R1.1646 COC(=O)CNc1c(cccc1C#N)C 2230a_100011826843_100000747449 [0,2,0,0,0,0|1,0,1]=4 6216 B15R1.1646 COC(=O)CNc1c(cccc1CO)C 34a_100011215590_100000747449 [0,2,0,0,0,0|1,0,0]=3 6217 B15R1.1646 COC(=O)CNc1c(cccc1CO)Cl 34a_100012182729_100000747449 [0,2,0,0,0,0|2,0,0]=4 6218 B15R1.1646 COC(=O)CNc1c(cccc1CO)F 34a_100000692437_100000747449 [0,2,0,0,0,0|2,0,0]=4 6219 B15R1.1646 COC(=O)CNc1c(cccc1OC)Br 34a_100000708083_100000747449 [0,2,0,0,0,0|2,0,0]=4 6220 B15R1.1646 COC(=O)CNc1c(cccc1OC)C 2230a_100000758225_100000747449 [0,2,0,0,0,0|1,0,0]=3 6221 B15R1.1646 COC(=O)CNc1c(cccc1OC)C 34a_100000758225_100000747449 [0,2,0,0,0,0|1,0,0]=3 6222 B15R1.1646 COC(=O)CNc1c(cccc1OC)Cl 34a_100011309317_100000747449 [0,2,0,0,0,0|2,0,0]=4 6223 B15R1.1646 COC(=O)CNc1c(cccc1OC)F 34a_100000686744_100000747449 [0,2,0,0,0,0|2,0,0]=4 6224 B15R1.1646 COC(=O)CNc1c(cccc1OC)O 34a_100012022766_100000747449 [0,2,0,0,0,0|2,0,0]=4 6225 B15R1.1646 COC(=O)COc1c(cccc1C#N)Br 34a_100009817103_100000747449 [0,2,0,0,0,0|1,0,1]=4 6226 B15R1.1646 COC(=O)COc1c(cccc1C#N)C 34a_100011659161_100000747449 [0,2,0,0,0,0|0,0,1]=3 6227 B15R1.1646 COC(=O)COc1c(cccc1C#N)C 7a_100011659161_100000747449 [0,2,0,0,0,0|0,0,1]=3 6228 B15R1.1646 COC(=O)COc1c(cccc1C#N)Cl 34a_100009866432_100000747449 [0,2,0,0,0,0|1,0,1]=4 6229 B15R1.1646 COC(=O)COc1c(cccc1C#N)Cl 7a_100009866432_100000747449 [0,2,0,0,0,0|1,0,1]=4 6230 B15R1.1646 COC(=O)COc1c(cccc1C#N)F 34a_100000117915_100000747449 [0,2,0,0,0,0|1,0,1]=4 6231 B15R1.1646 COC(=O)COc1c(cccc1C#N)F 7a_100000117915_100000747449 [0,2,0,0,0,0|1,0,1]=4 6232 B15R1.1646 COC(=O)COc1c(cccc1CN)C 34a_100020639391_100000747449 [0,2,0,0,0,0|0,0,0]=2 6233 B15R1.1646 COC(=O)COc1c(cccc1CO)F 34a_100011997349_100000747449 [0,2,0,0,0,0|1,0,0]=3 6234 B15R1.1646 COC(=O)COc1c(cccc1CO)F 7a_100011997349_100000747449 [0,2,0,0,0,0|1,0,0]=3 6235 B15R1.1646 COC(=O)COc1c(cccc1OC)Br 34a_100000686866_100000747449 [0,2,0,0,0,0|1,0,0]=3 6236 B15R1.1646 COC(=O)COc1c(cccc1OC)C 34a_100011219253_100000747449 [0,2,0,0,0,0|0,0,0]=2 6237 B15R1.1646 COC(=O)COc1c(cccc1OC)C 7a_100011219253_100000747449 [0,2,0,0,0,0|0,0,0]=2 6238 B15R1.1646 COC(=O)COc1c(cccc1OC)Cl 34a_100009851661_100000747449 [0,2,0,0,0,0|1,0,0]=3 6239 B15R1.1646 COC(=O)COc1c(cccc1OC)Cl 7a_100009851661_100000747449 [0,2,0,0,0,0|1,0,0]=3 6240 B15R1.1646 COC(=O)COc1c(cccc1OC)F 34a_100000036725_100000747449 [0,2,0,0,0,0|1,0,0]=3 6241 B15R1.1646 COC(=O)COc1c(cccc1OC)F 7a_100000036725_100000747449 [0,2,0,0,0,0|1,0,0]=3 6242 B15R1.1646 COC(=O)COc1c(cccc1OC)N 34a_100000123586_100000747449 [0,2,0,0,0,0|1,0,0]=3 6243 B15R1.1646 COC(=O)CSc1c(cccc1C#N)C 62a_100000747449_100011934862 [0,2,0,0,0,0|0,1,1]=4 6244 B15R1.1646 COC(=O)CSc1c(cccc1C=O)C 62a_100000747449_100012186367 [0,2,0,0,0,0|0,1,1]=4 6245 B15R1.1646 COC(=O)CSc1c(cccc1C=O)C 62a_100012186367_100000747449 [0,2,0,0,0,0|0,1,1]=4 6246 B15R1.1646 COC(=O)CSc1c(cccc1CN)F 62a_100000747449_100020638964 [0,2,0,0,0,0|1,1,0]=4 6247 B15R1.1646 COC(=O)CSc1c(cccc1CN)F 62a_100020638964_100000747449 [0,2,0,0,0,0|1,1,0]=4 6248 B15R1.1646 COC(=O)CSc1c(cccc1CO)Br 62a_100000747449_100010146604 [0,2,0,0,0,0|1,1,0]=4 6249 B15R1.1646 COC(=O)CSc1c(cccc1CO)Br 62a_100010146604_100000747449 [0,2,0,0,0,0|1,1,0]=4 6250 B15R1.1646 COC(=O)CSc1c(cccc1CO)C 62a_100000747449_100011659289 [0,2,0,0,0,0|0,1,0]=3 6251 B15R1.1646 COC(=O)CSc1c(cccc1CO)C 62a_100011659289_100000747449 [0,2,0,0,0,0|0,1,0]=3 6252 B15R1.1646 COC(=O)CSc1c(cccc1CO)F 62a_100000747449_100012351117 [0,2,0,0,0,0|1,1,0]=4 6253 B15R1.1646 COC(=O)CSc1c(cccc1CO)F 62a_100012351117_100000747449 [0,2,0,0,0,0|1,1,0]=4 6254 B15R1.1646 COC(=O)CSc1c(cccc1OC)Br 62a_100000747449_100010131421 [0,2,0,0,0,0|1,1,0]=4 6255 B15R1.1646 COC(=O)CSc1c(cccc1OC)Br 62a_100010131421_100000747449 [0,2,0,0,0,0|1,1,0]=4 6256 B15R1.1646 COC(=O)CSc1c(cccc1OC)C 62a_100000747449_100010191535 [0,2,0,0,0,0|0,1,0]=3 6257 B15R1.1646 COC(=O)CSc1c(cccc1OC)C 62a_100010191535_100000747449 [0,2,0,0,0,0|0,1,0]=3 6258 B15R1.1646 COC(=O)CSc1c(cccc1OC)F 62a_100000703912_100000747449 [0,2,0,0,0,0|1,1,0]=4 6259 B15R1.1646 COC(=O)CSc1c(cccc1OC)F 62a_100000747449_100000703912 [0,2,0,0,0,0|1,1,0]=4 6260 B15R1.1646 COC(=O)CSc1c(cccc1OC)N 62a_100000703447_100000747449 [0,2,0,0,0,0|1,1,0]=4 6261 B15R1.1646 COC(=O)CSc1c(cccc1OC)N 62a_100000747449_100000703447 [0,2,0,0,0,0|1,1,0]=4 6262 B15R1.1646 COC(=O)CSc1c(cccc1OC)O 62a_100000747449_100010202623 [0,2,0,0,0,0|1,1,0]=4 6263 B15R1.1646 COC(=O)CSc1c(ccnc1OC)C 62a_100000747449_100012353928 [0,2,0,0,0,0|1,1,0]=4 6264 B15R1.1646 COC(=O)CSc1c(ccnc1OC)C 62a_100012353928_100000747449 [0,2,0,0,0,0|1,1,0]=4 6265 B15R1.1646 COc1cccc(c1OCC(O)CO)C 34a_100011219253_100011219619 [0,2,0,0,0,0|0,0,2]=4 6266 B15R1.1646 COc1cccc(c1OCC(O)CO)C 7a_100011219253_100011219619 [0,2,0,0,0,0|0,0,2]=4 6267 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)C 34a_100011219253_100000059175 [0,2,0,0,0,0|1,0,1]=4 6268 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)C 7a_100011219253_100000059175 [0,2,0,0,0,0|1,0,1]=4 6269 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)C 34a_100011219253_100015614560 [0,2,0,0,0,0|1,0,1]=4 6270 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)C 7a_100011219253_100015614560 [0,2,0,0,0,0|1,0,1]=4 6271 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)C 34a_100011219253_100009815848 [0,2,0,0,0,0|0,0,2]=4 6272 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)C 7a_100011219253_100009815848 [0,2,0,0,0,0|0,0,2]=4 6273 B15R1.1646 Cc1cccc(c1OCC(O)CO)CN 34a_100020639391_100011219619 [0,2,0,0,0,0|0,0,2]=4 6274 B15R1.1646 Cc1cccc(c1OC[C@@H](C)CO)CN 34a_100020639391_100000059175 [0,2,0,0,0,0|1,0,1]=4 6275 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CF)CN 34a_100020639391_100015614560 [0,2,0,0,0,0|1,0,1]=4 6276 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CO)CN 34a_100020639391_100009815848 [0,2,0,0,0,0|0,0,2]=4 6277 B15R1.5216 COc1c(ccc(c1OCC(=O)N)F)Br 34a_200010167157_100000187820 [0,2,0,0,0,0|2,0,0]=4 6278 B15R1.5216 COc1c(ccc(c1OCC(=O)N)F)F 34a_100000118042_100000187820 [0,2,0,0,0,0|2,0,0]=4 6279 B15R1.5216 COc1c(ccc(c1OCC(=O)N)F)F 7a_100000118042_100000187820 [0,2,0,0,0,0|2,0,0]=4 6280 B15R1.5216 COc1c(ccc(c1OCC(=O)[O-])F)Br 34a_200010167157_100020667443 [0,2,0,0,0,0|1,0,1]=4 6281 B15R1.5216 COc1c(ccc(c1OCC(=O)[O-])F)F 34a_100000118042_100020667443 [0,2,0,0,0,0|1,0,1]=4 6282 B15R1.5216 Cc1ccc(c(c1SCC(=O)N)CO)F 62a_100000747473_100010365568 [0,2,0,0,0,0|1,1,0]=4 6283 B15R1.5216 Cc1ccc(c(c1SCC(=O)N)CO)F 62a_100010365568_100000747473 [0,2,0,0,0,0|1,1,0]=4 6284 B15R1.5216 Cc1ccc(c(c1SCC(=O)[O-])CO)F 62a_100010365568_100020667443 [0,2,0,0,0,0|0,1,1]=4 6285 B15R1.5216 Cc1ccc(c(c1SCC(=O)[O-])CO)F 62a_100020667443_100010365568 [0,2,0,0,0,0|0,1,1]=4 6286 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)C 34a_100009847209_100000748629 [0,2,0,0,0,0|2,0,0]=4 6287 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)C 7a_100009847209_100000748629 [0,2,0,0,0,0|2,0,0]=4 6288 B15R1.6620 C=C(F)COc1c(cccc1C(=O)C)C 34a_100009847209_100009893438 [0,2,0,0,0,0|2,0,0]=4 6289 B15R1.6620 C=C(F)COc1c(cccc1C(=O)C)C 7a_100009847209_100000042424 [0,2,0,0,0,0|2,0,0]=4 6290 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)C 34a_100009847209_100000187820 [0,2,0,0,0,0|1,0,0]=3 6291 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)C 7a_100009847209_100000187820 [0,2,0,0,0,0|1,0,0]=3 6292 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)Cl 34a_100000043392_100000187820 [0,2,0,0,0,0|2,0,0]=4 6293 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)Cl 7a_100000043392_100000187820 [0,2,0,0,0,0|2,0,0]=4 6294 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)F 34a_100011246037_100000187820 [0,2,0,0,0,0|2,0,0]=4 6295 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)F 7a_100011246037_100000187820 [0,2,0,0,0,0|2,0,0]=4 6296 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])C 34a_100009847209_100020667443 [0,2,0,0,0,0|0,0,1]=3 6297 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])Cl 34a_100000043392_100020667443 [0,2,0,0,0,0|1,0,1]=4 6298 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])F 34a_100011246037_100020667443 [0,2,0,0,0,0|1,0,1]=4 6299 B15R1.6620 CC(=O)c1cccc(c1OCC(C)O)C 34a_100009847209_100011218427 [0,2,0,0,0,0|1,0,1]=4 6300 B15R1.6620 CC(=O)c1cccc(c1OCC(C)O)C 7a_100009847209_100011218427 [0,2,0,0,0,0|1,0,1]=4 6301 B15R1.6620 CC(=O)c1cccc(c1OC[C@@H](C)O)C 34a_100009847209_100009817552 [0,2,0,0,0,0|1,0,1]=4 6302 B15R1.6620 CC(=O)c1cccc(c1OC[C@@H](C)O)C 7a_100009847209_100009817552 [0,2,0,0,0,0|1,0,1]=4 6303 B15R1.6620 CC(=O)c1cccc(c1OC[N+](=O)[O-])C 34a_100009847209_100000761209 [0,2,0,0,0,0|1,0,1]=4 6304 B15R1.6620 Cc1cccc(c1NCC(=O)N)C(C)C 2230a_100138557336_100000747473 [0,2,0,0,0,0|2,0,0]=4 6305 B15R1.6620 Cc1cccc(c1NCC(=O)N)C(C)C 34a_100138557336_100000187820 [0,2,0,0,0,0|2,0,0]=4 6306 B15R1.6620 Cc1cccc(c1NCC(=O)N)C(C)C 7a_100138557336_100000187820 [0,2,0,0,0,0|2,0,0]=4 6307 B15R1.6620 Cc1cccc(c1NCC(=O)[O-])C(C)C 34a_100138557336_100020667443 [0,2,0,0,0,0|1,0,1]=4 6308 B15R1.6620 Cc1cccc(c1OCC(=O)N)[N+](=O)[O-] 34a_100000763257_100000187820 [0,2,0,0,0,0|2,0,0]=4 6309 B15R1.6620 Cc1cccc(c1OCC(=O)N)[N+](=O)[O-] 7a_100000763257_100000187820 [0,2,0,0,0,0|2,0,0]=4 6310 B15R1.6620 Cc1cccc(c1OCC(=O)[O-])[N+](=O)[O-] 34a_100000763257_100020667443 [0,2,0,0,0,0|1,0,1]=4 6311 B15R1.7637 C=CCc1cccc(c1OCC(=C)C)C 34a_200011218211_100000748629 [0,2,0,0,0,0|2,0,0]=4 6312 B15R1.7637 C=CCc1cccc(c1OCC(=C)C)C 7a_200011218211_100000748629 [0,2,0,0,0,0|2,0,0]=4 6313 B15R1.7637 C=CCc1cccc(c1OCC(=C)F)C 34a_200011218211_100009893438 [0,2,0,0,0,0|2,0,0]=4 6314 B15R1.7637 C=CCc1cccc(c1OCC(=C)F)C 7a_200011218211_100000042424 [0,2,0,0,0,0|2,0,0]=4 6315 B15R1.7637 C=CCc1cccc(c1OCC(=O)N)C 34a_200011218211_100000187820 [0,2,0,0,0,0|1,0,0]=3 6316 B15R1.7637 C=CCc1cccc(c1OCC(=O)N)C 7a_200011218211_100000187820 [0,2,0,0,0,0|1,0,0]=3 6317 B15R1.7637 C=CCc1cccc(c1OCC(=O)[O-])C 34a_200011218211_100020667443 [0,2,0,0,0,0|0,0,1]=3 6318 B15R1.7637 C=CCc1cccc(c1OCC(C)O)C 34a_200011218211_100011218427 [0,2,0,0,0,0|1,0,1]=4 6319 B15R1.7637 C=CCc1cccc(c1OCC(C)O)C 7a_200011218211_100011218427 [0,2,0,0,0,0|1,0,1]=4 6320 B15R1.7637 C=CCc1cccc(c1OC[C@@H](C)O)C 34a_200011218211_100009817552 [0,2,0,0,0,0|1,0,1]=4 6321 B15R1.7637 C=CCc1cccc(c1OC[C@@H](C)O)C 7a_200011218211_100009817552 [0,2,0,0,0,0|1,0,1]=4 6322 B15R1.7637 C=CCc1cccc(c1OC[N+](=O)[O-])C 34a_200011218211_100000761209 [0,2,0,0,0,0|1,0,1]=4 6323 B15R1.7637 Cc1cccc(c1SCC(=O)N)CC#N 62a_100000747473_100010147024 [0,2,0,0,0,0|1,1,0]=4 6324 B15R1.7637 Cc1cccc(c1SCC(=O)N)CC#N 62a_100010147024_100000747473 [0,2,0,0,0,0|1,1,0]=4 6325 B15R1.7637 Cc1cccc(c1SCC(=O)[O-])CC#N 62a_100010147024_100020667443 [0,2,0,0,0,0|0,1,1]=4 6326 B15R1.7637 Cc1cccc(c1SCC(=O)[O-])CC#N 62a_100020667443_100010147024 [0,2,0,0,0,0|0,1,1]=4 6327 B15R1.13085 COc1ccc(c(c1OCC(=O)N)F)F 34a_100000062125_100000187820 [0,2,0,0,0,0|2,0,0]=4 6328 B15R1.13085 COc1ccc(c(c1OCC(=O)N)F)F 7a_100000062125_100000187820 [0,2,0,0,0,0|2,0,0]=4 6329 B15R1.13085 COc1ccc(c(c1OCC(=O)[O-])F)F 34a_100000062125_100020667443 [0,2,0,0,0,0|1,0,1]=4 6330 B15R1.702 C=C(C)COc1c(cc(cc1C)C#N)C 34a_100000189350_100000748629 [0,2,0,0,0,0|2,0,0]=4 6331 B15R1.702 C=C(C)COc1c(cc(cc1C)C#N)C 7a_100000189350_100000748629 [0,2,0,0,0,0|2,0,0]=4 6332 B15R1.702 C=C(C)COc1c(cc(cc1C)CO)C 34a_100000189000_100000748629 [0,2,0,0,0,0|2,0,0]=4 6333 B15R1.702 C=C(C)COc1c(cc(cc1C)CO)C 7a_100000189000_100000748629 [0,2,0,0,0,0|2,0,0]=4 6334 B15R1.702 C=C(C)COc1c(cc(cc1C)N=O)C 34a_100000703954_100000748629 [0,2,0,0,0,0|2,0,0]=4 6335 B15R1.702 C=C(C)COc1c(cc(cc1C)N=O)C 7a_100000703954_100000748629 [0,2,0,0,0,0|2,0,0]=4 6336 B15R1.702 C=C(C)COc1c(cc(cc1C)OC)C 34a_100010658422_100000748629 [0,2,0,0,0,0|2,0,0]=4 6337 B15R1.702 C=C(C)COc1c(cc(cc1C)OC)C 7a_100010658422_100000748629 [0,2,0,0,0,0|2,0,0]=4 6338 B15R1.702 C=C(F)COc1c(cc(cc1C)C#N)C 34a_100000189350_100009893438 [0,2,0,0,0,0|2,0,0]=4 6339 B15R1.702 C=C(F)COc1c(cc(cc1C)C#N)C 7a_100000189350_100000042424 [0,2,0,0,0,0|2,0,0]=4 6340 B15R1.702 C=C(F)COc1c(cc(cc1C)CO)C 34a_100000189000_100009893438 [0,2,0,0,0,0|2,0,0]=4 6341 B15R1.702 C=C(F)COc1c(cc(cc1C)CO)C 7a_100000189000_100000042424 [0,2,0,0,0,0|2,0,0]=4 6342 B15R1.702 C=C(F)COc1c(cc(cc1C)N=O)C 34a_100000703954_100009893438 [0,2,0,0,0,0|2,0,0]=4 6343 B15R1.702 C=C(F)COc1c(cc(cc1C)N=O)C 7a_100000703954_100000042424 [0,2,0,0,0,0|2,0,0]=4 6344 B15R1.702 C=C(F)COc1c(cc(cc1C)OC)C 34a_100010658422_100009893438 [0,2,0,0,0,0|2,0,0]=4 6345 B15R1.702 C=C(F)COc1c(cc(cc1C)OC)C 7a_100010658422_100000042424 [0,2,0,0,0,0|2,0,0]=4 6346 B15R1.702 COc1cc(c(c(c1)C)NCC(=O)N)C 34a_100009848961_100000187820 [0,2,0,0,0,0|2,0,0]=4 6347 B15R1.702 COc1cc(c(c(c1)C)NCC(=O)[O-])C 34a_100009848961_100020667443 [0,2,0,0,0,0|1,0,1]=4 6348 B15R1.702 COc1cc(c(c(c1)C)OCC(=O)N)C 34a_100010658422_100000187820 [0,2,0,0,0,0|1,0,0]=3 6349 B15R1.702 COc1cc(c(c(c1)C)OCC(=O)N)C 7a_100010658422_100000187820 [0,2,0,0,0,0|1,0,0]=3 6350 B15R1.702 COc1cc(c(c(c1)C)OCC(=O)[O-])C 34a_100010658422_100020667443 [0,2,0,0,0,0|0,0,1]=3 6351 B15R1.702 COc1cc(c(c(c1)C)OCC(C)O)C 34a_100010658422_100011218427 [0,2,0,0,0,0|1,0,1]=4 6352 B15R1.702 COc1cc(c(c(c1)C)OCC(C)O)C 7a_100010658422_100011218427 [0,2,0,0,0,0|1,0,1]=4 6353 B15R1.702 COc1cc(c(c(c1)C)OC[C@@H](C)O)C 34a_100010658422_100009817552 [0,2,0,0,0,0|1,0,1]=4 6354 B15R1.702 COc1cc(c(c(c1)C)OC[C@@H](C)O)C 7a_100010658422_100009817552 [0,2,0,0,0,0|1,0,1]=4 6355 B15R1.702 COc1cc(c(c(c1)C)OC[N+](=O)[O-])C 34a_100010658422_100000761209 [0,2,0,0,0,0|1,0,1]=4 6356 B15R1.702 COc1cc(c(c(c1)C)SCC(=O)N)C 62a_100000747473_100012160682 [0,2,0,0,0,0|1,1,0]=4 6357 B15R1.702 COc1cc(c(c(c1)C)SCC(=O)N)C 62a_100012160682_100000747473 [0,2,0,0,0,0|1,1,0]=4 6358 B15R1.702 COc1cc(c(c(c1)C)SCC(=O)[O-])C 62a_100012160682_100020667443 [0,2,0,0,0,0|0,1,1]=4 6359 B15R1.702 COc1cc(c(c(c1)C)SCC(=O)[O-])C 62a_100020667443_100012160682 [0,2,0,0,0,0|0,1,1]=4 6360 B15R1.702 Cc1cc(cc(c1NCC(=O)N)C)C#N 34a_100000068765_100000187820 [0,2,0,0,0,0|2,0,0]=4 6361 B15R1.702 Cc1cc(cc(c1NCC(=O)N)C)C#N 7a_100000068765_100000187820 [0,2,0,0,0,0|2,0,0]=4 6362 B15R1.702 Cc1cc(cc(c1NCC(=O)[O-])C)C#N 34a_100000068765_100020667443 [0,2,0,0,0,0|1,0,1]=4 6363 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)C#N 34a_100000189350_100000187820 [0,2,0,0,0,0|1,0,0]=3 6364 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)C#N 7a_100000189350_100000187820 [0,2,0,0,0,0|1,0,0]=3 6365 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)CO 34a_100000189000_100000187820 [0,2,0,0,0,0|1,0,0]=3 6366 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)CO 7a_100000189000_100000187820 [0,2,0,0,0,0|1,0,0]=3 6367 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)N=O 34a_100000703954_100000187820 [0,2,0,0,0,0|1,0,0]=3 6368 B15R1.702 Cc1cc(cc(c1OCC(=O)N)C)N=O 7a_100000703954_100000187820 [0,2,0,0,0,0|1,0,0]=3 6369 B15R1.702 Cc1cc(cc(c1OCC(=O)N)Cl)C#N 34a_200000089643_100000187820 [0,2,0,0,0,0|2,0,0]=4 6370 B15R1.702 Cc1cc(cc(c1OCC(=O)N)Cl)C#N 7a_200000089643_100000187820 [0,2,0,0,0,0|2,0,0]=4 6371 B15R1.702 Cc1cc(cc(c1OCC(=O)[O-])C)C#N 34a_100000189350_100020667443 [0,2,0,0,0,0|0,0,1]=3 6372 B15R1.702 Cc1cc(cc(c1OCC(=O)[O-])C)CO 34a_100000189000_100020667443 [0,2,0,0,0,0|0,0,1]=3 6373 B15R1.702 Cc1cc(cc(c1OCC(=O)[O-])C)N=O 34a_100000703954_100020667443 [0,2,0,0,0,0|0,0,1]=3 6374 B15R1.702 Cc1cc(cc(c1OCC(=O)[O-])Cl)C#N 34a_200000089643_100020667443 [0,2,0,0,0,0|1,0,1]=4 6375 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)C#N 34a_100000189350_100011218427 [0,2,0,0,0,0|1,0,1]=4 6376 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)C#N 7a_100000189350_100011218427 [0,2,0,0,0,0|1,0,1]=4 6377 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)CO 34a_100000189000_100011218427 [0,2,0,0,0,0|1,0,1]=4 6378 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)CO 7a_100000189000_100011218427 [0,2,0,0,0,0|1,0,1]=4 6379 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)N=O 34a_100000703954_100011218427 [0,2,0,0,0,0|1,0,1]=4 6380 B15R1.702 Cc1cc(cc(c1OCC(C)O)C)N=O 7a_100000703954_100011218427 [0,2,0,0,0,0|1,0,1]=4 6381 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)C#N 34a_100000189350_100009817552 [0,2,0,0,0,0|1,0,1]=4 6382 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)C#N 7a_100000189350_100009817552 [0,2,0,0,0,0|1,0,1]=4 6383 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)CO 34a_100000189000_100009817552 [0,2,0,0,0,0|1,0,1]=4 6384 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)CO 7a_100000189000_100009817552 [0,2,0,0,0,0|1,0,1]=4 6385 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)N=O 34a_100000703954_100009817552 [0,2,0,0,0,0|1,0,1]=4 6386 B15R1.702 Cc1cc(cc(c1OC[C@@H](C)O)C)N=O 7a_100000703954_100009817552 [0,2,0,0,0,0|1,0,1]=4 6387 B15R1.702 Cc1cc(cc(c1OC[N+](=O)[O-])C)C#N 34a_100000189350_100000761209 [0,2,0,0,0,0|1,0,1]=4 6388 B15R1.702 Cc1cc(cc(c1OC[N+](=O)[O-])C)CO 34a_100000189000_100000761209 [0,2,0,0,0,0|1,0,1]=4 6389 B15R1.702 Cc1cc(cc(c1OC[N+](=O)[O-])C)N=O 34a_100000703954_100000761209 [0,2,0,0,0,0|1,0,1]=4 6390 B15R1.702 Cc1cc(cc(c1SCC(=O)N)C)C#N 62a_100000747473_100000707521 [0,2,0,0,0,0|1,1,0]=4 6391 B15R1.702 Cc1cc(cc(c1SCC(=O)N)C)C=O 62a_100000747473_100012353953 [0,2,0,0,0,0|1,1,0]=4 6392 B15R1.702 Cc1cc(cc(c1SCC(=O)N)C)C=O 62a_100012353953_100000747473 [0,2,0,0,0,0|1,1,0]=4 6393 B15R1.702 Cc1cc(cc(c1SCC(=O)N)C)CO 62a_100000747473_100012339607 [0,2,0,0,0,0|1,1,0]=4 6394 B15R1.702 Cc1cc(cc(c1SCC(=O)N)C)CO 62a_100012339607_100000747473 [0,2,0,0,0,0|1,1,0]=4 6395 B15R1.702 Cc1cc(cc(c1SCC(=O)[O-])C)C#N 62a_100020667443_100000707521 [0,2,0,0,0,0|0,1,1]=4 6396 B15R1.702 Cc1cc(cc(c1SCC(=O)[O-])C)C=O 62a_100012353953_100020667443 [0,2,0,0,0,0|0,1,1]=4 6397 B15R1.702 Cc1cc(cc(c1SCC(=O)[O-])C)C=O 62a_100020667443_100012353953 [0,2,0,0,0,0|0,1,1]=4 6398 B15R1.702 Cc1cc(cc(c1SCC(=O)[O-])C)CO 62a_100012339607_100020667443 [0,2,0,0,0,0|0,1,1]=4 6399 B15R1.702 Cc1cc(cc(c1SCC(=O)[O-])C)CO 62a_100020667443_100012339607 [0,2,0,0,0,0|0,1,1]=4 6400 B15R1.3552 CC(=O)C(C)Nc1c(cc(cc1C)Br)C 7a_100000737279_100000179758 [0,2,0,0,0,0|2,0,0]=4 6401 B15R1.3552 CC(=O)C(C)Nc1c(cc(cc1C)C)C 7a_100000210045_100000179758 [0,2,0,0,0,0|2,0,0]=4 6402 B15R1.3552 CC(=O)C(C)Nc1c(cc(cc1C)Cl)C 7a_100000692879_100000179758 [0,2,0,0,0,0|2,0,0]=4 6403 B15R1.3552 CC(=O)C(C)Nc1c(cc(cc1C)F)C 7a_100011290887_100000179758 [0,2,0,0,0,0|2,0,0]=4 6404 B15R1.3552 CC(=O)C(C)Nc1c(cc(cc1C)I)C 7a_100011356821_100000179758 [0,2,0,0,0,0|2,0,0]=4 6405 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Br)Br)C 7a_100000186369_100000179758 [0,2,0,0,0,0|2,0,0]=4 6406 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Br)C)C 7a_100011934984_100000179758 [0,2,0,0,0,0|2,0,0]=4 6407 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Br)Cl)C 7a_100012337756_100000179758 [0,2,0,0,0,0|2,0,0]=4 6408 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Br)I)C 7a_100010982682_100000179758 [0,2,0,0,0,0|2,0,0]=4 6409 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Br)N)C 7a_100010064301_100000179758 [0,2,0,0,0,0|2,0,0]=4 6410 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)Br)C 7a_100000187306_100000179758 [0,2,0,0,0,0|1,0,0]=3 6411 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)C)C 7a_100000212074_100000179758 [0,2,0,0,0,0|1,0,0]=3 6412 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)Cl)C 7a_100000211519_100000179758 [0,2,0,0,0,0|1,0,0]=3 6413 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)F)C 7a_100000081862_100000179758 [0,2,0,0,0,0|1,0,0]=3 6414 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)I)C 7a_100011216129_100000179758 [0,2,0,0,0,0|1,0,0]=3 6415 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1C)N)C 7a_100000703291_100000179758 [0,2,0,0,0,0|1,0,0]=3 6416 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Cl)Br)C 7a_100000211485_100000179758 [0,2,0,0,0,0|2,0,0]=4 6417 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000179758 [0,2,0,0,0,0|2,0,0]=4 6418 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1Cl)I)C 7a_200015900153_100000179758 [0,2,0,0,0,0|2,0,0]=4 6419 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1I)Cl)C 7a_100012343667_100000179758 [0,2,0,0,0,0|2,0,0]=4 6420 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1N)Br)C 7a_100011825904_100000179758 [0,2,0,0,0,0|2,0,0]=4 6421 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1N)C)C 7a_100011216242_100000179758 [0,2,0,0,0,0|2,0,0]=4 6422 B15R1.3552 CC(=O)C(C)Oc1c(cc(cc1N)F)C 7a_100000130126_100000179758 [0,2,0,0,0,0|2,0,0]=4 6423 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)Br)C 62a_100009814033_100009814048 [0,2,0,0,0,0|1,1,0]=4 6424 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)Br)C 62a_100009814048_100009814033 [0,2,0,0,0,0|1,1,0]=4 6425 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)C)C 62a_100009814033_100011204320 [0,2,0,0,0,0|1,1,0]=4 6426 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)C)C 62a_100011204320_100009814033 [0,2,0,0,0,0|1,1,0]=4 6427 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)Cl)C 62a_100009814033_100010244930 [0,2,0,0,0,0|1,1,0]=4 6428 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)Cl)C 62a_100010244930_100009814033 [0,2,0,0,0,0|1,1,0]=4 6429 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)F)C 62a_100009814033_100012356666 [0,2,0,0,0,0|1,1,0]=4 6430 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)F)C 62a_100012356666_100009814033 [0,2,0,0,0,0|1,1,0]=4 6431 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)N)C 62a_100000215964_100009814033 [0,2,0,0,0,0|1,1,0]=4 6432 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)N)C 62a_100009814033_100000215964 [0,2,0,0,0,0|1,1,0]=4 6433 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)O)C 62a_100000243743_100009814033 [0,2,0,0,0,0|1,1,0]=4 6434 B15R1.3552 CC(=O)C(C)Sc1c(cc(cc1C)O)C 62a_100009814033_100000243743 [0,2,0,0,0,0|1,1,0]=4 6435 B15R1.3552 Cc1cc(c(c(c1)Br)OC(C)C(=O)N)C 34a_100011934984_100000702099 [0,2,0,0,0,0|2,0,0]=4 6436 B15R1.3552 Cc1cc(c(c(c1)Br)OC(C)C(=O)N)C 7a_100011934984_100000702099 [0,2,0,0,0,0|2,0,0]=4 6437 B15R1.3552 Cc1cc(c(c(c1)Br)OC(F)C(=O)N)C 34a_100011934984_100009813875 [0,2,0,0,0,0|2,0,0]=4 6438 B15R1.3552 Cc1cc(c(c(c1)Br)OC(F)C(=O)N)C 7a_100011934984_100009813875 [0,2,0,0,0,0|2,0,0]=4 6439 B15R1.3552 Cc1cc(c(c(c1)Br)OC(F)C(=O)[O-])C 34a_100011934984_100020610796 [0,2,0,0,0,0|1,0,1]=4 6440 B15R1.3552 Cc1cc(c(c(c1)C)NC(C)C(=O)N)C 34a_100000210045_100000702099 [0,2,0,0,0,0|2,0,0]=4 6441 B15R1.3552 Cc1cc(c(c(c1)C)NC(C)C(=O)N)C 7a_100000210045_100000702099 [0,2,0,0,0,0|2,0,0]=4 6442 B15R1.3552 Cc1cc(c(c(c1)C)NC(F)C(=O)N)C 34a_100000210045_100009813875 [0,2,0,0,0,0|2,0,0]=4 6443 B15R1.3552 Cc1cc(c(c(c1)C)NC(F)C(=O)N)C 7a_100000210045_100009813875 [0,2,0,0,0,0|2,0,0]=4 6444 B15R1.3552 Cc1cc(c(c(c1)C)NC(F)C(=O)[O-])C 34a_100000210045_100020610796 [0,2,0,0,0,0|1,0,1]=4 6445 B15R1.3552 Cc1cc(c(c(c1)C)OC(C)C(=O)N)C 34a_100000212074_100000702099 [0,2,0,0,0,0|1,0,0]=3 6446 B15R1.3552 Cc1cc(c(c(c1)C)OC(C)C(=O)N)C 7a_100000212074_100000702099 [0,2,0,0,0,0|1,0,0]=3 6447 B15R1.3552 Cc1cc(c(c(c1)C)OC(F)C(=O)N)C 34a_100000212074_100009813875 [0,2,0,0,0,0|1,0,0]=3 6448 B15R1.3552 Cc1cc(c(c(c1)C)OC(F)C(=O)N)C 7a_100000212074_100009813875 [0,2,0,0,0,0|1,0,0]=3 6449 B15R1.3552 Cc1cc(c(c(c1)C)OC(F)C(=O)[O-])C 34a_100000212074_100020610796 [0,2,0,0,0,0|0,0,1]=3 6450 B15R1.3552 Cc1cc(c(c(c1)C)SC(C)C(=O)N)C 62a_100000702099_100011204320 [0,2,0,0,0,0|1,1,0]=4 6451 B15R1.3552 Cc1cc(c(c(c1)C)SC(C)C(=O)N)C 62a_100011204320_100000702099 [0,2,0,0,0,0|1,1,0]=4 6452 B15R1.3552 Cc1cc(c(c(c1)C)SC(F)C(=O)N)C 62a_100009813875_100011204320 [0,2,0,0,0,0|1,1,0]=4 6453 B15R1.3552 Cc1cc(c(c(c1)C)SC(F)C(=O)N)C 62a_100011204320_100009813875 [0,2,0,0,0,0|1,1,0]=4 6454 B15R1.3552 Cc1cc(c(c(c1)C)SC(F)C(=O)[O-])C 62a_100011204320_100020610796 [0,2,0,0,0,0|0,1,1]=4 6455 B15R1.3552 Cc1cc(c(c(c1)C)SC(F)C(=O)[O-])C 62a_100020610796_100011204320 [0,2,0,0,0,0|0,1,1]=4 6456 B15R1.3552 Cc1cc(c(c(c1)N)OC(C)C(=O)N)C 34a_100011216242_100000702099 [0,2,0,0,0,0|2,0,0]=4 6457 B15R1.3552 Cc1cc(c(c(c1)N)OC(C)C(=O)N)C 7a_100011216242_100000702099 [0,2,0,0,0,0|2,0,0]=4 6458 B15R1.3552 Cc1cc(c(c(c1)N)OC(F)C(=O)N)C 34a_100011216242_100009813875 [0,2,0,0,0,0|2,0,0]=4 6459 B15R1.3552 Cc1cc(c(c(c1)N)OC(F)C(=O)N)C 7a_100011216242_100009813875 [0,2,0,0,0,0|2,0,0]=4 6460 B15R1.3552 Cc1cc(c(c(c1)N)OC(F)C(=O)[O-])C 34a_100011216242_100020610796 [0,2,0,0,0,0|1,0,1]=4 6461 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)Br 34a_100000737279_100000702099 [0,2,0,0,0,0|2,0,0]=4 6462 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)Br 7a_100000737279_100000702099 [0,2,0,0,0,0|2,0,0]=4 6463 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)Cl 34a_100000692879_100000702099 [0,2,0,0,0,0|2,0,0]=4 6464 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)Cl 7a_100000692879_100000702099 [0,2,0,0,0,0|2,0,0]=4 6465 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)F 34a_100011290887_100000702099 [0,2,0,0,0,0|2,0,0]=4 6466 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)F 7a_100011290887_100000702099 [0,2,0,0,0,0|2,0,0]=4 6467 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)I 7a_100011356821_100000702099 [0,2,0,0,0,0|2,0,0]=4 6468 B15R1.3552 Cc1cc(cc(c1NC(C)C(=O)N)C)O 34a_100011934200_100000702099 [0,2,0,0,0,0|2,0,0]=4 6469 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)Br 34a_100000737279_100009813875 [0,2,0,0,0,0|2,0,0]=4 6470 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)Br 7a_100000737279_100009813875 [0,2,0,0,0,0|2,0,0]=4 6471 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)Cl 34a_100000692879_100009813875 [0,2,0,0,0,0|2,0,0]=4 6472 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)Cl 7a_100000692879_100009813875 [0,2,0,0,0,0|2,0,0]=4 6473 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)F 34a_100011290887_100009813875 [0,2,0,0,0,0|2,0,0]=4 6474 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)F 7a_100011290887_100009813875 [0,2,0,0,0,0|2,0,0]=4 6475 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)I 7a_100011356821_100009813875 [0,2,0,0,0,0|2,0,0]=4 6476 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)N)C)O 34a_100011934200_100009813875 [0,2,0,0,0,0|2,0,0]=4 6477 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)[O-])C)Br 34a_100000737279_100020610796 [0,2,0,0,0,0|1,0,1]=4 6478 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)[O-])C)Cl 34a_100000692879_100020610796 [0,2,0,0,0,0|1,0,1]=4 6479 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)[O-])C)F 34a_100011290887_100020610796 [0,2,0,0,0,0|1,0,1]=4 6480 B15R1.3552 Cc1cc(cc(c1NC(F)C(=O)[O-])C)O 34a_100011934200_100020610796 [0,2,0,0,0,0|1,0,1]=4 6481 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)Br 34a_100000186369_100000702099 [0,2,0,0,0,0|2,0,0]=4 6482 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)Br 7a_100000186369_100000702099 [0,2,0,0,0,0|2,0,0]=4 6483 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)Cl 34a_100012337756_100000702099 [0,2,0,0,0,0|2,0,0]=4 6484 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)Cl 7a_100012337756_100000702099 [0,2,0,0,0,0|2,0,0]=4 6485 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)I 34a_100010982682_100000702099 [0,2,0,0,0,0|2,0,0]=4 6486 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)I 7a_100010982682_100000702099 [0,2,0,0,0,0|2,0,0]=4 6487 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)N 34a_100010064301_100000702099 [0,2,0,0,0,0|2,0,0]=4 6488 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Br)N 7a_100010064301_100000702099 [0,2,0,0,0,0|2,0,0]=4 6489 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)Br 34a_100000187306_100000702099 [0,2,0,0,0,0|1,0,0]=3 6490 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)Br 7a_100000187306_100000702099 [0,2,0,0,0,0|1,0,0]=3 6491 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)Cl 34a_100000211519_100000702099 [0,2,0,0,0,0|1,0,0]=3 6492 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)Cl 7a_100000211519_100000702099 [0,2,0,0,0,0|1,0,0]=3 6493 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)F 34a_100000081862_100000702099 [0,2,0,0,0,0|1,0,0]=3 6494 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)F 7a_100000081862_100000702099 [0,2,0,0,0,0|1,0,0]=3 6495 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)I 34a_100011216129_100000702099 [0,2,0,0,0,0|1,0,0]=3 6496 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)I 7a_100011216129_100000702099 [0,2,0,0,0,0|1,0,0]=3 6497 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)N 34a_100000703291_100000702099 [0,2,0,0,0,0|1,0,0]=3 6498 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)C)N 7a_100000703291_100000702099 [0,2,0,0,0,0|1,0,0]=3 6499 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)Br 34a_100000211485_100000702099 [0,2,0,0,0,0|2,0,0]=4 6500 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)Br 7a_100000211485_100000702099 [0,2,0,0,0,0|2,0,0]=4 6501 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)Cl 34a_100011218458_100000702099 [0,2,0,0,0,0|2,0,0]=4 6502 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)Cl 7a_100011218458_100000702099 [0,2,0,0,0,0|2,0,0]=4 6503 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)I 34a_200015900153_100000702099 [0,2,0,0,0,0|2,0,0]=4 6504 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)Cl)I 7a_200015900153_100000702099 [0,2,0,0,0,0|2,0,0]=4 6505 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)I)Cl 34a_100012343667_100000702099 [0,2,0,0,0,0|2,0,0]=4 6506 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)I)Cl 7a_100012343667_100000702099 [0,2,0,0,0,0|2,0,0]=4 6507 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)N)Br 34a_100011825904_100000702099 [0,2,0,0,0,0|2,0,0]=4 6508 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)N)Br 7a_100011825904_100000702099 [0,2,0,0,0,0|2,0,0]=4 6509 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)N)F 34a_100000130126_100000702099 [0,2,0,0,0,0|2,0,0]=4 6510 B15R1.3552 Cc1cc(cc(c1OC(C)C(=O)N)N)F 7a_100000130126_100000702099 [0,2,0,0,0,0|2,0,0]=4 6511 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)Br 34a_100000186369_100009813875 [0,2,0,0,0,0|2,0,0]=4 6512 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)Br 7a_100000186369_100009813875 [0,2,0,0,0,0|2,0,0]=4 6513 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)Cl 34a_100012337756_100009813875 [0,2,0,0,0,0|2,0,0]=4 6514 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)Cl 7a_100012337756_100009813875 [0,2,0,0,0,0|2,0,0]=4 6515 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)I 34a_100010982682_100009813875 [0,2,0,0,0,0|2,0,0]=4 6516 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)I 7a_100010982682_100009813875 [0,2,0,0,0,0|2,0,0]=4 6517 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)N 34a_100010064301_100009813875 [0,2,0,0,0,0|2,0,0]=4 6518 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Br)N 7a_100010064301_100009813875 [0,2,0,0,0,0|2,0,0]=4 6519 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)Br 34a_100000187306_100009813875 [0,2,0,0,0,0|1,0,0]=3 6520 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)Br 7a_100000187306_100009813875 [0,2,0,0,0,0|1,0,0]=3 6521 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)Cl 34a_100000211519_100009813875 [0,2,0,0,0,0|1,0,0]=3 6522 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)Cl 7a_100000211519_100009813875 [0,2,0,0,0,0|1,0,0]=3 6523 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)F 34a_100000081862_100009813875 [0,2,0,0,0,0|1,0,0]=3 6524 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)F 7a_100000081862_100009813875 [0,2,0,0,0,0|1,0,0]=3 6525 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)I 34a_100011216129_100009813875 [0,2,0,0,0,0|1,0,0]=3 6526 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)I 7a_100011216129_100009813875 [0,2,0,0,0,0|1,0,0]=3 6527 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)N 34a_100000703291_100009813875 [0,2,0,0,0,0|1,0,0]=3 6528 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)C)N 7a_100000703291_100009813875 [0,2,0,0,0,0|1,0,0]=3 6529 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)Br 34a_100000211485_100009813875 [0,2,0,0,0,0|2,0,0]=4 6530 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)Br 7a_100000211485_100009813875 [0,2,0,0,0,0|2,0,0]=4 6531 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)Cl 34a_100011218458_100009813875 [0,2,0,0,0,0|2,0,0]=4 6532 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)Cl 7a_100011218458_100009813875 [0,2,0,0,0,0|2,0,0]=4 6533 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)I 34a_200015900153_100009813875 [0,2,0,0,0,0|2,0,0]=4 6534 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)Cl)I 7a_200015900153_100009813875 [0,2,0,0,0,0|2,0,0]=4 6535 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)I)Cl 34a_100012343667_100009813875 [0,2,0,0,0,0|2,0,0]=4 6536 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)I)Cl 7a_100012343667_100009813875 [0,2,0,0,0,0|2,0,0]=4 6537 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)N)Br 34a_100011825904_100009813875 [0,2,0,0,0,0|2,0,0]=4 6538 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)N)Br 7a_100011825904_100009813875 [0,2,0,0,0,0|2,0,0]=4 6539 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)N)F 34a_100000130126_100009813875 [0,2,0,0,0,0|2,0,0]=4 6540 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)N)N)F 7a_100000130126_100009813875 [0,2,0,0,0,0|2,0,0]=4 6541 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Br)Br 34a_100000186369_100020610796 [0,2,0,0,0,0|1,0,1]=4 6542 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Br)Cl 34a_100012337756_100020610796 [0,2,0,0,0,0|1,0,1]=4 6543 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Br)I 34a_100010982682_100020610796 [0,2,0,0,0,0|1,0,1]=4 6544 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Br)N 34a_100010064301_100020610796 [0,2,0,0,0,0|1,0,1]=4 6545 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])C)Br 34a_100000187306_100020610796 [0,2,0,0,0,0|0,0,1]=3 6546 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])C)Cl 34a_100000211519_100020610796 [0,2,0,0,0,0|0,0,1]=3 6547 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])C)F 34a_100000081862_100020610796 [0,2,0,0,0,0|0,0,1]=3 6548 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])C)I 34a_100011216129_100020610796 [0,2,0,0,0,0|0,0,1]=3 6549 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])C)N 34a_100000703291_100020610796 [0,2,0,0,0,0|0,0,1]=3 6550 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Cl)Br 34a_100000211485_100020610796 [0,2,0,0,0,0|1,0,1]=4 6551 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Cl)Cl 34a_100011218458_100020610796 [0,2,0,0,0,0|1,0,1]=4 6552 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])Cl)I 34a_200015900153_100020610796 [0,2,0,0,0,0|1,0,1]=4 6553 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])I)Cl 34a_100012343667_100020610796 [0,2,0,0,0,0|1,0,1]=4 6554 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])N)Br 34a_100011825904_100020610796 [0,2,0,0,0,0|1,0,1]=4 6555 B15R1.3552 Cc1cc(cc(c1OC(F)C(=O)[O-])N)F 34a_100000130126_100020610796 [0,2,0,0,0,0|1,0,1]=4 6556 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)Br 62a_100000702099_100009814048 [0,2,0,0,0,0|1,1,0]=4 6557 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)Br 62a_100009814048_100000702099 [0,2,0,0,0,0|1,1,0]=4 6558 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)Cl 62a_100000702099_100010244930 [0,2,0,0,0,0|1,1,0]=4 6559 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)Cl 62a_100010244930_100000702099 [0,2,0,0,0,0|1,1,0]=4 6560 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)F 62a_100000702099_100012356666 [0,2,0,0,0,0|1,1,0]=4 6561 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)F 62a_100012356666_100000702099 [0,2,0,0,0,0|1,1,0]=4 6562 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)N 62a_100000215964_100000702099 [0,2,0,0,0,0|1,1,0]=4 6563 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)N 62a_100000702099_100000215964 [0,2,0,0,0,0|1,1,0]=4 6564 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)O 62a_100000243743_100000702099 [0,2,0,0,0,0|1,1,0]=4 6565 B15R1.3552 Cc1cc(cc(c1SC(C)C(=O)N)C)O 62a_100000702099_100000243743 [0,2,0,0,0,0|1,1,0]=4 6566 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)Br 62a_100009813875_100009814048 [0,2,0,0,0,0|1,1,0]=4 6567 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)Br 62a_100009814048_100009813875 [0,2,0,0,0,0|1,1,0]=4 6568 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)Cl 62a_100009813875_100010244930 [0,2,0,0,0,0|1,1,0]=4 6569 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)Cl 62a_100010244930_100009813875 [0,2,0,0,0,0|1,1,0]=4 6570 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)F 62a_100009813875_100012356666 [0,2,0,0,0,0|1,1,0]=4 6571 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)F 62a_100012356666_100009813875 [0,2,0,0,0,0|1,1,0]=4 6572 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)N 62a_100000215964_100009813875 [0,2,0,0,0,0|1,1,0]=4 6573 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)N 62a_100009813875_100000215964 [0,2,0,0,0,0|1,1,0]=4 6574 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)O 62a_100000243743_100009813875 [0,2,0,0,0,0|1,1,0]=4 6575 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)N)C)O 62a_100009813875_100000243743 [0,2,0,0,0,0|1,1,0]=4 6576 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)Br 62a_100009814048_100020610796 [0,2,0,0,0,0|0,1,1]=4 6577 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)Br 62a_100020610796_100009814048 [0,2,0,0,0,0|0,1,1]=4 6578 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)Cl 62a_100010244930_100020610796 [0,2,0,0,0,0|0,1,1]=4 6579 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)Cl 62a_100020610796_100010244930 [0,2,0,0,0,0|0,1,1]=4 6580 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)F 62a_100012356666_100020610796 [0,2,0,0,0,0|0,1,1]=4 6581 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)F 62a_100020610796_100012356666 [0,2,0,0,0,0|0,1,1]=4 6582 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)N 62a_100000215964_100020610796 [0,2,0,0,0,0|0,1,1]=4 6583 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)N 62a_100020610796_100000215964 [0,2,0,0,0,0|0,1,1]=4 6584 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)O 62a_100000243743_100020610796 [0,2,0,0,0,0|0,1,1]=4 6585 B15R1.3552 Cc1cc(cc(c1SC(F)C(=O)[O-])C)O 62a_100020610796_100000243743 [0,2,0,0,0,0|0,1,1]=4 6586 B15R1.3553 CC(=O)CC(=O)c1c(cc(cc1C)C)C 1458a_100000070787_100000189687 [0,2,0,0,0,0|2,0,0]=4 6587 B15R1.3553 Cc1cc(c(c(c1)C)C(=O)CC(=O)N)C 1458a_100000211658_100000187820 [0,2,0,0,0,0|2,0,0]=4 6588 B15R1.3553 Cc1cc(c(c(c1)C)C(=O)CC(=O)[O-])C 1458a_100000211658_100020667443 [0,2,0,0,0,0|1,0,1]=4 6589 B15R1.3553 Cc1cc(c(c(c1)C)N(C)CC(=O)N)C 2230a_200011806176_100000747473 [0,2,0,0,0,0|2,0,0]=4 6590 B15R1.3553 Cc1cc(c(c(c1)C)N(C)CC(=O)N)C 269982a_200011806176_100000187820 [0,2,0,0,0,0|2,0,0]=4 6591 B15R1.3553 Cc1cc(c(c(c1)C)N(C)CC(=O)N)C 34a_200011806176_100000187820 [0,2,0,0,0,0|2,0,0]=4 6592 B15R1.3553 Cc1cc(c(c(c1)C)N(C)CC(=O)[O-])C 269982a_200011806176_100020667443 [0,2,0,0,0,0|1,0,1]=4 6593 B15R1.3553 Cc1cc(c(c(c1)C)N(C)CC(=O)[O-])C 34a_200011806176_100020667443 [0,2,0,0,0,0|1,0,1]=4 6594 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)N)C)Br 1458a_100000739581_100000187820 [0,2,0,0,0,0|2,0,0]=4 6595 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)N)C)Cl 1458a_100000088873_100000187820 [0,2,0,0,0,0|2,0,0]=4 6596 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)N)C)F 1458a_100012017201_100000187820 [0,2,0,0,0,0|2,0,0]=4 6597 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)N)C)O 1458a_100000066486_100000187820 [0,2,0,0,0,0|2,0,0]=4 6598 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)[O-])C)Br 1458a_100000739581_100020667443 [0,2,0,0,0,0|1,0,1]=4 6599 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)[O-])C)Cl 1458a_100000088873_100020667443 [0,2,0,0,0,0|1,0,1]=4 6600 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)[O-])C)F 1458a_100012017201_100020667443 [0,2,0,0,0,0|1,0,1]=4 6601 B15R1.3553 Cc1cc(cc(c1C(=O)CC(=O)[O-])C)O 1458a_100000066486_100020667443 [0,2,0,0,0,0|1,0,1]=4 6602 B15R1.25367 C=C(C)COc1c(cc(c(c1C)C)Br)C 34a_200012339818_100000748629 [0,2,0,0,0,0|2,0,0]=4 6603 B15R1.25367 C=C(C)COc1c(cc(c(c1C)C)Br)C 7a_200012339818_100000748629 [0,2,0,0,0,0|2,0,0]=4 6604 B15R1.25367 C=C(F)COc1c(cc(c(c1C)C)Br)C 34a_200012339818_100009893438 [0,2,0,0,0,0|2,0,0]=4 6605 B15R1.25367 C=C(F)COc1c(cc(c(c1C)C)Br)C 7a_200012339818_100000042424 [0,2,0,0,0,0|2,0,0]=4 6606 B15R1.25367 Cc1cc(c(c(c1Br)C)NCC(=O)N)C 2230a_100011215665_100000747473 [0,2,0,0,0,0|2,0,0]=4 6607 B15R1.25367 Cc1cc(c(c(c1Br)C)NCC(=O)N)C 34a_100011215665_100000187820 [0,2,0,0,0,0|2,0,0]=4 6608 B15R1.25367 Cc1cc(c(c(c1Br)C)NCC(=O)N)C 7a_100011215665_100000187820 [0,2,0,0,0,0|2,0,0]=4 6609 B15R1.25367 Cc1cc(c(c(c1Br)C)NCC(=O)[O-])C 34a_100011215665_100020667443 [0,2,0,0,0,0|1,0,1]=4 6610 B15R1.25367 Cc1cc(c(c(c1F)C)SCC(=O)N)C 62a_100000747473_100010738083 [0,2,0,0,0,0|1,1,0]=4 6611 B15R1.25367 Cc1cc(c(c(c1F)C)SCC(=O)N)C 62a_100010738083_100000747473 [0,2,0,0,0,0|1,1,0]=4 6612 B15R1.25367 Cc1cc(c(c(c1F)C)SCC(=O)[O-])C 62a_100010738083_100020667443 [0,2,0,0,0,0|0,1,1]=4 6613 B15R1.25367 Cc1cc(c(c(c1F)C)SCC(=O)[O-])C 62a_100020667443_100010738083 [0,2,0,0,0,0|0,1,1]=4 6614 B15R1.25367 Cc1cc(c(c(c1N)C)SCC(=O)N)C 62a_100000747473_100011215665 [0,2,0,0,0,0|1,1,0]=4 6615 B15R1.25367 Cc1cc(c(c(c1N)C)SCC(=O)N)C 62a_100011215665_100000747473 [0,2,0,0,0,0|1,1,0]=4 6616 B15R1.25367 Cc1cc(c(c(c1N)C)SCC(=O)[O-])C 62a_100011215665_100020667443 [0,2,0,0,0,0|0,1,1]=4 6617 B15R1.25367 Cc1cc(c(c(c1N)C)SCC(=O)[O-])C 62a_100020667443_100011215665 [0,2,0,0,0,0|0,1,1]=4 6618 B15R1.25367 Cc1cc(c(c(c1OCC(=O)N)C)C)Br 34a_200012339818_100000187820 [0,2,0,0,0,0|1,0,0]=3 6619 B15R1.25367 Cc1cc(c(c(c1OCC(=O)N)C)C)Br 7a_200012339818_100000187820 [0,2,0,0,0,0|1,0,0]=3 6620 B15R1.25367 Cc1cc(c(c(c1OCC(=O)[O-])C)C)Br 34a_200012339818_100020667443 [0,2,0,0,0,0|0,0,1]=3 6621 B15R1.25367 Cc1cc(c(c(c1OCC(C)O)C)C)Br 34a_200012339818_100011218427 [0,2,0,0,0,0|1,0,1]=4 6622 B15R1.25367 Cc1cc(c(c(c1OCC(C)O)C)C)Br 7a_200012339818_100011218427 [0,2,0,0,0,0|1,0,1]=4 6623 B15R1.25367 Cc1cc(c(c(c1OC[C@@H](C)O)C)C)Br 34a_200012339818_100009817552 [0,2,0,0,0,0|1,0,1]=4 6624 B15R1.25367 Cc1cc(c(c(c1OC[C@@H](C)O)C)C)Br 7a_200012339818_100009817552 [0,2,0,0,0,0|1,0,1]=4 6625 B15R1.25367 Cc1cc(c(c(c1OC[N+](=O)[O-])C)C)Br 34a_200012339818_100000761209 [0,2,0,0,0,0|1,0,1]=4 6626 B15R1.25367 Cc1cc(c(c(c1SCC(=O)N)C)C)O 62a_100000730119_100000747473 [0,2,0,0,0,0|1,1,0]=4 6627 B15R1.25367 Cc1cc(c(c(c1SCC(=O)N)C)C)O 62a_100000747473_100000730119 [0,2,0,0,0,0|1,1,0]=4 6628 B15R1.25367 Cc1cc(c(c(c1SCC(=O)[O-])C)C)O 62a_100000730119_100020667443 [0,2,0,0,0,0|0,1,1]=4 6629 B15R1.25367 Cc1cc(c(c(c1SCC(=O)[O-])C)C)O 62a_100020667443_100000730119 [0,2,0,0,0,0|0,1,1]=4 6630 B15R1.25388 Cc1cc(c(c(c1)C)OCC(C)(C)O)C 34a_100000212074_100000764493 [0,2,0,0,0,0|1,0,1]=4 6631 B15R1.25388 Cc1cc(c(c(c1)C)OCC(C)(C)O)C 7a_100000212074_100000764493 [0,2,0,0,0,0|1,0,1]=4 6632 B15R1.25388 Cc1cc(c(c(c1)C)OCS(=O)(=O)[O-])C 34a_100000212074_100009817235 [0,2,0,0,0,0|1,0,1]=4 6633 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)Br 34a_100000187306_100000764493 [0,2,0,0,0,0|1,0,1]=4 6634 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)Br 7a_100000187306_100000764493 [0,2,0,0,0,0|1,0,1]=4 6635 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)Cl 34a_100000211519_100000764493 [0,2,0,0,0,0|1,0,1]=4 6636 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)Cl 7a_100000211519_100000764493 [0,2,0,0,0,0|1,0,1]=4 6637 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)F 34a_100000081862_100000764493 [0,2,0,0,0,0|1,0,1]=4 6638 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)F 7a_100000081862_100000764493 [0,2,0,0,0,0|1,0,1]=4 6639 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)I 34a_100011216129_100000764493 [0,2,0,0,0,0|1,0,1]=4 6640 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)I 7a_100011216129_100000764493 [0,2,0,0,0,0|1,0,1]=4 6641 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)N 34a_100000703291_100000764493 [0,2,0,0,0,0|1,0,1]=4 6642 B15R1.25388 Cc1cc(cc(c1OCC(C)(C)O)C)N 7a_100000703291_100000764493 [0,2,0,0,0,0|1,0,1]=4 6643 B15R1.25388 Cc1cc(cc(c1OCS(=O)(=O)[O-])C)Br 34a_100000187306_100009817235 [0,2,0,0,0,0|1,0,1]=4 6644 B15R1.25388 Cc1cc(cc(c1OCS(=O)(=O)[O-])C)Cl 34a_100000211519_100009817235 [0,2,0,0,0,0|1,0,1]=4 6645 B15R1.25388 Cc1cc(cc(c1OCS(=O)(=O)[O-])C)F 34a_100000081862_100009817235 [0,2,0,0,0,0|1,0,1]=4 6646 B15R1.25388 Cc1cc(cc(c1OCS(=O)(=O)[O-])C)I 34a_100011216129_100009817235 [0,2,0,0,0,0|1,0,1]=4 6647 B15R1.25388 Cc1cc(cc(c1OCS(=O)(=O)[O-])C)N 34a_100000703291_100009817235 [0,2,0,0,0,0|1,0,1]=4 6648 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)Br)C 34a_100000187306_100000694840 [0,2,0,0,0,0|2,0,0]=4 6649 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)C)C 34a_100000212074_100000694840 [0,2,0,0,0,0|2,0,0]=4 6650 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000694840 [0,2,0,0,0,0|2,0,0]=4 6651 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)F)C 34a_100000081862_100000694840 [0,2,0,0,0,0|2,0,0]=4 6652 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)I)C 34a_100011216129_100000694840 [0,2,0,0,0,0|2,0,0]=4 6653 B15R1.38791 C=C(C#N)COc1c(cc(cc1C)N)C 34a_100000703291_100000694840 [0,2,0,0,0,0|2,0,0]=4 6654 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Br)C 34a_100000187306_100000730141 [0,2,0,0,0,0|1,0,1]=4 6655 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Br)C 7a_100000187306_100000730141 [0,2,0,0,0,0|1,0,1]=4 6656 B15R1.38791 C=CC(O)COc1c(cc(cc1C)C)C 34a_100000212074_100000730141 [0,2,0,0,0,0|1,0,1]=4 6657 B15R1.38791 C=CC(O)COc1c(cc(cc1C)C)C 7a_100000212074_100000730141 [0,2,0,0,0,0|1,0,1]=4 6658 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000730141 [0,2,0,0,0,0|1,0,1]=4 6659 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000730141 [0,2,0,0,0,0|1,0,1]=4 6660 B15R1.38791 C=CC(O)COc1c(cc(cc1C)F)C 34a_100000081862_100000730141 [0,2,0,0,0,0|1,0,1]=4 6661 B15R1.38791 C=CC(O)COc1c(cc(cc1C)F)C 7a_100000081862_100000730141 [0,2,0,0,0,0|1,0,1]=4 6662 B15R1.38791 C=CC(O)COc1c(cc(cc1C)I)C 34a_100011216129_100000730141 [0,2,0,0,0,0|1,0,1]=4 6663 B15R1.38791 C=CC(O)COc1c(cc(cc1C)I)C 7a_100011216129_100000730141 [0,2,0,0,0,0|1,0,1]=4 6664 B15R1.38791 C=CC(O)COc1c(cc(cc1C)N)C 34a_100000703291_100000730141 [0,2,0,0,0,0|1,0,1]=4 6665 B15R1.38791 C=CC(O)COc1c(cc(cc1C)N)C 7a_100000703291_100000730141 [0,2,0,0,0,0|1,0,1]=4 6666 B15R1.38791 CCC(=O)CNc1c(cc(cc1C)Br)C 7a_100000737279_100000747405 [0,2,0,0,0,0|2,0,0]=4 6667 B15R1.38791 CCC(=O)CNc1c(cc(cc1C)C)C 7a_100000210045_100000747405 [0,2,0,0,0,0|2,0,0]=4 6668 B15R1.38791 CCC(=O)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100000747405 [0,2,0,0,0,0|2,0,0]=4 6669 B15R1.38791 CCC(=O)CNc1c(cc(cc1C)F)C 7a_100011290887_100000747405 [0,2,0,0,0,0|2,0,0]=4 6670 B15R1.38791 CCC(=O)CNc1c(cc(cc1C)I)C 7a_100011356821_100000747405 [0,2,0,0,0,0|2,0,0]=4 6671 B15R1.38791 CCC(=O)COc1c(cc(cc1Br)Br)C 7a_100000186369_100000747405 [0,2,0,0,0,0|2,0,0]=4 6672 B15R1.38791 CCC(=O)COc1c(cc(cc1Br)C)C 7a_100011934984_100000747405 [0,2,0,0,0,0|2,0,0]=4 6673 B15R1.38791 CCC(=O)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000747405 [0,2,0,0,0,0|2,0,0]=4 6674 B15R1.38791 CCC(=O)COc1c(cc(cc1Br)I)C 7a_100010982682_100000747405 [0,2,0,0,0,0|2,0,0]=4 6675 B15R1.38791 CCC(=O)COc1c(cc(cc1Br)N)C 7a_100010064301_100000747405 [0,2,0,0,0,0|2,0,0]=4 6676 B15R1.38791 CCC(=O)COc1c(cc(cc1C)Br)C 1458a_100009812269_100000210202 [0,2,0,0,0,0|1,0,0]=3 6677 B15R1.38791 CCC(=O)COc1c(cc(cc1C)Br)C 7a_100000187306_100000747405 [0,2,0,0,0,0|1,0,0]=3 6678 B15R1.38791 CCC(=O)COc1c(cc(cc1C)C)C 1458a_200000183695_100000210202 [0,2,0,0,0,0|1,0,0]=3 6679 B15R1.38791 CCC(=O)COc1c(cc(cc1C)C)C 7a_100000212074_100000747405 [0,2,0,0,0,0|1,0,0]=3 6680 B15R1.38791 CCC(=O)COc1c(cc(cc1C)Cl)C 1458a_100000183735_100000210202 [0,2,0,0,0,0|1,0,0]=3 6681 B15R1.38791 CCC(=O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000747405 [0,2,0,0,0,0|1,0,0]=3 6682 B15R1.38791 CCC(=O)COc1c(cc(cc1C)F)C 7a_100000081862_100000747405 [0,2,0,0,0,0|1,0,0]=3 6683 B15R1.38791 CCC(=O)COc1c(cc(cc1C)I)C 7a_100011216129_100000747405 [0,2,0,0,0,0|1,0,0]=3 6684 B15R1.38791 CCC(=O)COc1c(cc(cc1C)N)C 7a_100000703291_100000747405 [0,2,0,0,0,0|1,0,0]=3 6685 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)Br)C 1458a_100000179748_100000210202 [0,2,0,0,0,0|2,0,0]=4 6686 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100000747405 [0,2,0,0,0,0|2,0,0]=4 6687 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)C)C 1458a_200000013560_100000210202 [0,2,0,0,0,0|2,0,0]=4 6688 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)Cl)C 1458a_100000013561_100000210202 [0,2,0,0,0,0|2,0,0]=4 6689 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000747405 [0,2,0,0,0,0|2,0,0]=4 6690 B15R1.38791 CCC(=O)COc1c(cc(cc1Cl)I)C 7a_200015900153_100000747405 [0,2,0,0,0,0|2,0,0]=4 6691 B15R1.38791 CCC(=O)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000747405 [0,2,0,0,0,0|2,0,0]=4 6692 B15R1.38791 CCC(=O)COc1c(cc(cc1N)Br)C 7a_100011825904_100000747405 [0,2,0,0,0,0|2,0,0]=4 6693 B15R1.38791 CCC(=O)COc1c(cc(cc1N)C)C 7a_100011216242_100000747405 [0,2,0,0,0,0|2,0,0]=4 6694 B15R1.38791 CCC(=O)COc1c(cc(cc1N)F)C 7a_100000130126_100000747405 [0,2,0,0,0,0|2,0,0]=4 6695 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)Br)C 62a_100000747405_100009814048 [0,2,0,0,0,0|1,1,0]=4 6696 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)Br)C 62a_100009814048_100000747405 [0,2,0,0,0,0|1,1,0]=4 6697 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)C)C 62a_100000747405_100011204320 [0,2,0,0,0,0|1,1,0]=4 6698 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)C)C 62a_100011204320_100000747405 [0,2,0,0,0,0|1,1,0]=4 6699 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)Cl)C 62a_100000747405_100010244930 [0,2,0,0,0,0|1,1,0]=4 6700 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100000747405 [0,2,0,0,0,0|1,1,0]=4 6701 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)F)C 62a_100000747405_100012356666 [0,2,0,0,0,0|1,1,0]=4 6702 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)F)C 62a_100012356666_100000747405 [0,2,0,0,0,0|1,1,0]=4 6703 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)N)C 62a_100000215964_100000747405 [0,2,0,0,0,0|1,1,0]=4 6704 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)N)C 62a_100000747405_100000215964 [0,2,0,0,0,0|1,1,0]=4 6705 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)O)C 62a_100000243743_100000747405 [0,2,0,0,0,0|1,1,0]=4 6706 B15R1.38791 CCC(=O)CSc1c(cc(cc1C)O)C 62a_100000747405_100000243743 [0,2,0,0,0,0|1,1,0]=4 6707 B15R1.38791 CCC(O)COc1c(cc(cc1C)Br)C 34a_100000187306_100011218378 [0,2,0,0,0,0|1,0,1]=4 6708 B15R1.38791 CCC(O)COc1c(cc(cc1C)Br)C 7a_100000187306_100011218378 [0,2,0,0,0,0|1,0,1]=4 6709 B15R1.38791 CCC(O)COc1c(cc(cc1C)C)C 34a_100000212074_100011218378 [0,2,0,0,0,0|1,0,1]=4 6710 B15R1.38791 CCC(O)COc1c(cc(cc1C)C)C 7a_100000212074_100011218378 [0,2,0,0,0,0|1,0,1]=4 6711 B15R1.38791 CCC(O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100011218378 [0,2,0,0,0,0|1,0,1]=4 6712 B15R1.38791 CCC(O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100011218378 [0,2,0,0,0,0|1,0,1]=4 6713 B15R1.38791 CCC(O)COc1c(cc(cc1C)F)C 34a_100000081862_100011218378 [0,2,0,0,0,0|1,0,1]=4 6714 B15R1.38791 CCC(O)COc1c(cc(cc1C)F)C 7a_100000081862_100011218378 [0,2,0,0,0,0|1,0,1]=4 6715 B15R1.38791 CCC(O)COc1c(cc(cc1C)I)C 34a_100011216129_100011218378 [0,2,0,0,0,0|1,0,1]=4 6716 B15R1.38791 CCC(O)COc1c(cc(cc1C)I)C 7a_100011216129_100011218378 [0,2,0,0,0,0|1,0,1]=4 6717 B15R1.38791 CCC(O)COc1c(cc(cc1C)N)C 34a_100000703291_100011218378 [0,2,0,0,0,0|1,0,1]=4 6718 B15R1.38791 CCC(O)COc1c(cc(cc1C)N)C 7a_100000703291_100011218378 [0,2,0,0,0,0|1,0,1]=4 6719 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)Br)C 34a_100000737279_100000183359 [0,2,0,0,0,0|2,0,0]=4 6720 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)Br)C 7a_100000737279_100000183359 [0,2,0,0,0,0|2,0,0]=4 6721 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)C)C 34a_100000210045_100000183359 [0,2,0,0,0,0|2,0,0]=4 6722 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)C)C 7a_100000210045_100000183359 [0,2,0,0,0,0|2,0,0]=4 6723 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)Cl)C 34a_100000692879_100000183359 [0,2,0,0,0,0|2,0,0]=4 6724 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100000183359 [0,2,0,0,0,0|2,0,0]=4 6725 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)F)C 34a_100011290887_100000183359 [0,2,0,0,0,0|2,0,0]=4 6726 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)F)C 7a_100011290887_100000183359 [0,2,0,0,0,0|2,0,0]=4 6727 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)I)C 7a_100011356821_100000183359 [0,2,0,0,0,0|2,0,0]=4 6728 B15R1.38791 CNC(=O)CNc1c(cc(cc1C)O)C 34a_100011934200_100000183359 [0,2,0,0,0,0|2,0,0]=4 6729 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)Br)C 34a_100000186369_100000183359 [0,2,0,0,0,0|2,0,0]=4 6730 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)Br)C 7a_100000186369_100000183359 [0,2,0,0,0,0|2,0,0]=4 6731 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)C)C 34a_100011934984_100000183359 [0,2,0,0,0,0|2,0,0]=4 6732 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)C)C 7a_100011934984_100000183359 [0,2,0,0,0,0|2,0,0]=4 6733 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100000183359 [0,2,0,0,0,0|2,0,0]=4 6734 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000183359 [0,2,0,0,0,0|2,0,0]=4 6735 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)I)C 34a_100010982682_100000183359 [0,2,0,0,0,0|2,0,0]=4 6736 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)I)C 7a_100010982682_100000183359 [0,2,0,0,0,0|2,0,0]=4 6737 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)N)C 34a_100010064301_100000183359 [0,2,0,0,0,0|2,0,0]=4 6738 B15R1.38791 CNC(=O)COc1c(cc(cc1Br)N)C 7a_100010064301_100000183359 [0,2,0,0,0,0|2,0,0]=4 6739 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 11a_106832991635_100009812269 [0,2,0,0,0,0|1,0,0]=3 6740 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 1626a_100102657272_100009812269 [0,2,0,0,0,0|1,0,0]=3 6741 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 240690a_100102657272_100009812269 [0,2,0,0,0,0|1,0,0]=3 6742 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 34a_100000187306_100000183359 [0,2,0,0,0,0|1,0,0]=3 6743 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 527a_100102657272_100009812269 [0,2,0,0,0,0|1,0,0]=3 6744 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Br)C 7a_100000187306_100000183359 [0,2,0,0,0,0|1,0,0]=3 6745 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 11a_106832991635_200000183695 [0,2,0,0,0,0|1,0,0]=3 6746 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 1626a_100102657272_200000183695 [0,2,0,0,0,0|1,0,0]=3 6747 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 240690a_100102657272_200000183695 [0,2,0,0,0,0|1,0,0]=3 6748 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 34a_100000212074_100000183359 [0,2,0,0,0,0|1,0,0]=3 6749 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 527a_100102657272_200000183695 [0,2,0,0,0,0|1,0,0]=3 6750 B15R1.38791 CNC(=O)COc1c(cc(cc1C)C)C 7a_100000212074_100000183359 [0,2,0,0,0,0|1,0,0]=3 6751 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 11a_106832991635_100000183735 [0,2,0,0,0,0|1,0,0]=3 6752 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 1626a_100102657272_100000183735 [0,2,0,0,0,0|1,0,0]=3 6753 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 240690a_100102657272_100000183735 [0,2,0,0,0,0|1,0,0]=3 6754 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000183359 [0,2,0,0,0,0|1,0,0]=3 6755 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 527a_100102657272_100000183735 [0,2,0,0,0,0|1,0,0]=3 6756 B15R1.38791 CNC(=O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000183359 [0,2,0,0,0,0|1,0,0]=3 6757 B15R1.38791 CNC(=O)COc1c(cc(cc1C)F)C 34a_100000081862_100000183359 [0,2,0,0,0,0|1,0,0]=3 6758 B15R1.38791 CNC(=O)COc1c(cc(cc1C)F)C 7a_100000081862_100000183359 [0,2,0,0,0,0|1,0,0]=3 6759 B15R1.38791 CNC(=O)COc1c(cc(cc1C)I)C 34a_100011216129_100000183359 [0,2,0,0,0,0|1,0,0]=3 6760 B15R1.38791 CNC(=O)COc1c(cc(cc1C)I)C 7a_100011216129_100000183359 [0,2,0,0,0,0|1,0,0]=3 6761 B15R1.38791 CNC(=O)COc1c(cc(cc1C)N)C 34a_100000703291_100000183359 [0,2,0,0,0,0|1,0,0]=3 6762 B15R1.38791 CNC(=O)COc1c(cc(cc1C)N)C 7a_100000703291_100000183359 [0,2,0,0,0,0|1,0,0]=3 6763 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 11a_106832991635_100000179748 [0,2,0,0,0,0|2,0,0]=4 6764 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 1626a_100102657272_100000179748 [0,2,0,0,0,0|2,0,0]=4 6765 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 240690a_100102657272_100000179748 [0,2,0,0,0,0|2,0,0]=4 6766 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 34a_100000211485_100000183359 [0,2,0,0,0,0|2,0,0]=4 6767 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 527a_100102657272_100000179748 [0,2,0,0,0,0|2,0,0]=4 6768 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100000183359 [0,2,0,0,0,0|2,0,0]=4 6769 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)C)C 11a_106832991635_200000013560 [0,2,0,0,0,0|2,0,0]=4 6770 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)C)C 1626a_100102657272_200000013560 [0,2,0,0,0,0|2,0,0]=4 6771 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)C)C 240690a_100102657272_200000013560 [0,2,0,0,0,0|2,0,0]=4 6772 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)C)C 527a_100102657272_200000013560 [0,2,0,0,0,0|2,0,0]=4 6773 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 11a_106832991635_100000013561 [0,2,0,0,0,0|2,0,0]=4 6774 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 1626a_100102657272_100000013561 [0,2,0,0,0,0|2,0,0]=4 6775 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 240690a_100102657272_100000013561 [0,2,0,0,0,0|2,0,0]=4 6776 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000183359 [0,2,0,0,0,0|2,0,0]=4 6777 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 527a_100102657272_100000013561 [0,2,0,0,0,0|2,0,0]=4 6778 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000183359 [0,2,0,0,0,0|2,0,0]=4 6779 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)I)C 34a_200015900153_100000183359 [0,2,0,0,0,0|2,0,0]=4 6780 B15R1.38791 CNC(=O)COc1c(cc(cc1Cl)I)C 7a_200015900153_100000183359 [0,2,0,0,0,0|2,0,0]=4 6781 B15R1.38791 CNC(=O)COc1c(cc(cc1I)Cl)C 34a_100012343667_100000183359 [0,2,0,0,0,0|2,0,0]=4 6782 B15R1.38791 CNC(=O)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000183359 [0,2,0,0,0,0|2,0,0]=4 6783 B15R1.38791 CNC(=O)COc1c(cc(cc1N)Br)C 34a_100011825904_100000183359 [0,2,0,0,0,0|2,0,0]=4 6784 B15R1.38791 CNC(=O)COc1c(cc(cc1N)Br)C 7a_100011825904_100000183359 [0,2,0,0,0,0|2,0,0]=4 6785 B15R1.38791 CNC(=O)COc1c(cc(cc1N)C)C 34a_100011216242_100000183359 [0,2,0,0,0,0|2,0,0]=4 6786 B15R1.38791 CNC(=O)COc1c(cc(cc1N)C)C 7a_100011216242_100000183359 [0,2,0,0,0,0|2,0,0]=4 6787 B15R1.38791 CNC(=O)COc1c(cc(cc1N)F)C 34a_100000130126_100000183359 [0,2,0,0,0,0|2,0,0]=4 6788 B15R1.38791 CNC(=O)COc1c(cc(cc1N)F)C 7a_100000130126_100000183359 [0,2,0,0,0,0|2,0,0]=4 6789 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)Br)C 62a_100000183359_100009814048 [0,2,0,0,0,0|1,1,0]=4 6790 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)Br)C 62a_100009814048_100000183359 [0,2,0,0,0,0|1,1,0]=4 6791 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)C)C 62a_100000183359_100011204320 [0,2,0,0,0,0|1,1,0]=4 6792 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)C)C 62a_100011204320_100000183359 [0,2,0,0,0,0|1,1,0]=4 6793 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)Cl)C 62a_100000183359_100010244930 [0,2,0,0,0,0|1,1,0]=4 6794 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100000183359 [0,2,0,0,0,0|1,1,0]=4 6795 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)F)C 62a_100000183359_100012356666 [0,2,0,0,0,0|1,1,0]=4 6796 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)F)C 62a_100012356666_100000183359 [0,2,0,0,0,0|1,1,0]=4 6797 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)N)C 62a_100000183359_100000215964 [0,2,0,0,0,0|1,1,0]=4 6798 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)N)C 62a_100000215964_100000183359 [0,2,0,0,0,0|1,1,0]=4 6799 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)O)C 62a_100000183359_100000243743 [0,2,0,0,0,0|1,1,0]=4 6800 B15R1.38791 CNC(=O)CSc1c(cc(cc1C)O)C 62a_100000243743_100000183359 [0,2,0,0,0,0|1,1,0]=4 6801 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)Br)C 34a_100012047207_100000747449 [0,2,0,0,0,0|2,0,0]=4 6802 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)Br)C 7a_100012047207_100000747449 [0,2,0,0,0,0|2,0,0]=4 6803 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)C)C 34a_100000688863_100000747449 [0,2,0,0,0,0|2,0,0]=4 6804 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)Cl)C 34a_100012353696_100000747449 [0,2,0,0,0,0|2,0,0]=4 6805 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)Cl)C 7a_100012353696_100000747449 [0,2,0,0,0,0|2,0,0]=4 6806 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)F)C 34a_100011216670_100000747449 [0,2,0,0,0,0|2,0,0]=4 6807 B15R1.38791 COC(=O)CNc1c(cc(cc1Br)F)C 7a_100011216670_100000747449 [0,2,0,0,0,0|2,0,0]=4 6808 B15R1.38791 COC(=O)CNc1c(cc(cc1C)Br)C 34a_100000737279_100000747449 [0,2,0,0,0,0|1,0,0]=3 6809 B15R1.38791 COC(=O)CNc1c(cc(cc1C)Br)C 7a_100000737279_100000747449 [0,2,0,0,0,0|1,0,0]=3 6810 B15R1.38791 COC(=O)CNc1c(cc(cc1C)C)C 34a_100000210045_100000747449 [0,2,0,0,0,0|1,0,0]=3 6811 B15R1.38791 COC(=O)CNc1c(cc(cc1C)C)C 7a_100000210045_100000747449 [0,2,0,0,0,0|1,0,0]=3 6812 B15R1.38791 COC(=O)CNc1c(cc(cc1C)Cl)C 34a_100000692879_100000747449 [0,2,0,0,0,0|1,0,0]=3 6813 B15R1.38791 COC(=O)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100000747449 [0,2,0,0,0,0|1,0,0]=3 6814 B15R1.38791 COC(=O)CNc1c(cc(cc1C)F)C 34a_100011290887_100000747449 [0,2,0,0,0,0|1,0,0]=3 6815 B15R1.38791 COC(=O)CNc1c(cc(cc1C)F)C 7a_100011290887_100000747449 [0,2,0,0,0,0|1,0,0]=3 6816 B15R1.38791 COC(=O)CNc1c(cc(cc1C)I)C 7a_100011356821_100000747449 [0,2,0,0,0,0|1,0,0]=3 6817 B15R1.38791 COC(=O)CNc1c(cc(cc1C)O)C 34a_100011934200_100000747449 [0,2,0,0,0,0|1,0,0]=3 6818 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)Br)C 34a_100000741131_100000747449 [0,2,0,0,0,0|2,0,0]=4 6819 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)Br)C 7a_100000741131_100000747449 [0,2,0,0,0,0|2,0,0]=4 6820 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)C)C 34a_100000211461_100000747449 [0,2,0,0,0,0|2,0,0]=4 6821 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)C)C 7a_100000211461_100000747449 [0,2,0,0,0,0|2,0,0]=4 6822 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100000747449 [0,2,0,0,0,0|2,0,0]=4 6823 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)Cl)C 7a_100011215104_100000747449 [0,2,0,0,0,0|2,0,0]=4 6824 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)F)C 34a_100000725997_100000747449 [0,2,0,0,0,0|2,0,0]=4 6825 B15R1.38791 COC(=O)CNc1c(cc(cc1Cl)F)C 7a_100000725997_100000747449 [0,2,0,0,0,0|2,0,0]=4 6826 B15R1.38791 COC(=O)CNc1c(cc(cc1F)Br)C 34a_100000709789_100000747449 [0,2,0,0,0,0|2,0,0]=4 6827 B15R1.38791 COC(=O)CNc1c(cc(cc1F)Br)C 7a_100000709789_100000747449 [0,2,0,0,0,0|2,0,0]=4 6828 B15R1.38791 COC(=O)CNc1c(cc(cc1F)Cl)C 34a_100012017672_100000747449 [0,2,0,0,0,0|2,0,0]=4 6829 B15R1.38791 COC(=O)CNc1c(cc(cc1F)Cl)C 7a_100012017672_100000747449 [0,2,0,0,0,0|2,0,0]=4 6830 B15R1.38791 COC(=O)CNc1c(cc(cc1I)Br)C 7a_200000690823_100000747449 [0,2,0,0,0,0|2,0,0]=4 6831 B15R1.38791 COC(=O)CNc1c(cc(cc1I)Cl)C 7a_100012344046_100000747449 [0,2,0,0,0,0|2,0,0]=4 6832 B15R1.38791 COC(=O)CNc1c(cc(cc1O)Br)C 34a_100010371313_100000747449 [0,2,0,0,0,0|2,0,0]=4 6833 B15R1.38791 COC(=O)CNc1c(cc(cc1O)Br)C 7a_100010371313_100000747449 [0,2,0,0,0,0|2,0,0]=4 6834 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100000747449 [0,2,0,0,0,0|2,0,0]=4 6835 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100000747449 [0,2,0,0,0,0|2,0,0]=4 6836 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)C 34a_100000186369_100000747449 [0,2,0,0,0,0|1,0,0]=3 6837 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)C 7a_100000186369_100000747449 [0,2,0,0,0,0|1,0,0]=3 6838 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000747449 [0,2,0,0,0,0|2,0,0]=4 6839 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000747449 [0,2,0,0,0,0|2,0,0]=4 6840 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)F 34a_100011216695_100000747449 [0,2,0,0,0,0|2,0,0]=4 6841 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)F 7a_100011216695_100000747449 [0,2,0,0,0,0|2,0,0]=4 6842 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)N 34a_100010781877_100000747449 [0,2,0,0,0,0|2,0,0]=4 6843 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Br)N 7a_100010781877_100000747449 [0,2,0,0,0,0|2,0,0]=4 6844 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)Br 34a_100000203795_100000747449 [0,2,0,0,0,0|2,0,0]=4 6845 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)Br 7a_100000203795_100000747449 [0,2,0,0,0,0|2,0,0]=4 6846 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)C 34a_100011934984_100000747449 [0,2,0,0,0,0|1,0,0]=3 6847 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)C 7a_100011934984_100000747449 [0,2,0,0,0,0|1,0,0]=3 6848 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)F 34a_200010713133_100000747449 [0,2,0,0,0,0|2,0,0]=4 6849 B15R1.38791 COC(=O)COc1c(cc(cc1Br)C)F 7a_200010713133_100000747449 [0,2,0,0,0,0|2,0,0]=4 6850 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000747449 [0,2,0,0,0,0|2,0,0]=4 6851 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000747449 [0,2,0,0,0,0|2,0,0]=4 6852 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100000747449 [0,2,0,0,0,0|1,0,0]=3 6853 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000747449 [0,2,0,0,0,0|1,0,0]=3 6854 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000747449 [0,2,0,0,0,0|2,0,0]=4 6855 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000747449 [0,2,0,0,0,0|2,0,0]=4 6856 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100000747449 [0,2,0,0,0,0|2,0,0]=4 6857 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100000747449 [0,2,0,0,0,0|2,0,0]=4 6858 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100000747449 [0,2,0,0,0,0|2,0,0]=4 6859 B15R1.38791 COC(=O)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100000747449 [0,2,0,0,0,0|2,0,0]=4 6860 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)Br 34a_100011215434_100000747449 [0,2,0,0,0,0|2,0,0]=4 6861 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)Br 7a_100011215434_100000747449 [0,2,0,0,0,0|2,0,0]=4 6862 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100000747449 [0,2,0,0,0,0|2,0,0]=4 6863 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100000747449 [0,2,0,0,0,0|2,0,0]=4 6864 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)F 34a_100000688693_100000747449 [0,2,0,0,0,0|2,0,0]=4 6865 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)F 7a_100000688693_100000747449 [0,2,0,0,0,0|2,0,0]=4 6866 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)N 34a_200011217456_100000747449 [0,2,0,0,0,0|2,0,0]=4 6867 B15R1.38791 COC(=O)COc1c(cc(cc1Br)F)N 7a_200011217456_100000747449 [0,2,0,0,0,0|2,0,0]=4 6868 B15R1.38791 COC(=O)COc1c(cc(cc1Br)I)C 34a_100010982682_100000747449 [0,2,0,0,0,0|1,0,0]=3 6869 B15R1.38791 COC(=O)COc1c(cc(cc1Br)I)C 7a_100010982682_100000747449 [0,2,0,0,0,0|1,0,0]=3 6870 B15R1.38791 COC(=O)COc1c(cc(cc1Br)N)Br 34a_200000186426_100000747449 [0,2,0,0,0,0|2,0,0]=4 6871 B15R1.38791 COC(=O)COc1c(cc(cc1Br)N)C 34a_100010064301_100000747449 [0,2,0,0,0,0|1,0,0]=3 6872 B15R1.38791 COC(=O)COc1c(cc(cc1Br)N)C 7a_100010064301_100000747449 [0,2,0,0,0,0|1,0,0]=3 6873 B15R1.38791 COC(=O)COc1c(cc(cc1C)Br)C 34a_100000187306_100000747449 [0,2,0,0,0,0|0,0,0]=2 6874 B15R1.38791 COC(=O)COc1c(cc(cc1C)Br)C 7a_100000187306_100000747449 [0,2,0,0,0,0|0,0,0]=2 6875 B15R1.38791 COC(=O)COc1c(cc(cc1C)C)C 34a_100000212074_100000747449 [0,2,0,0,0,0|0,0,0]=2 6876 B15R1.38791 COC(=O)COc1c(cc(cc1C)C)C 7a_100000212074_100000747449 [0,2,0,0,0,0|0,0,0]=2 6877 B15R1.38791 COC(=O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000747449 [0,2,0,0,0,0|0,0,0]=2 6878 B15R1.38791 COC(=O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000747449 [0,2,0,0,0,0|0,0,0]=2 6879 B15R1.38791 COC(=O)COc1c(cc(cc1C)F)C 34a_100000081862_100000747449 [0,2,0,0,0,0|0,0,0]=2 6880 B15R1.38791 COC(=O)COc1c(cc(cc1C)F)C 7a_100000081862_100000747449 [0,2,0,0,0,0|0,0,0]=2 6881 B15R1.38791 COC(=O)COc1c(cc(cc1C)I)C 34a_100011216129_100000747449 [0,2,0,0,0,0|0,0,0]=2 6882 B15R1.38791 COC(=O)COc1c(cc(cc1C)I)C 7a_100011216129_100000747449 [0,2,0,0,0,0|0,0,0]=2 6883 B15R1.38791 COC(=O)COc1c(cc(cc1C)N)C 34a_100000703291_100000747449 [0,2,0,0,0,0|0,0,0]=2 6884 B15R1.38791 COC(=O)COc1c(cc(cc1C)N)C 7a_100000703291_100000747449 [0,2,0,0,0,0|0,0,0]=2 6885 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)C 34a_100000211485_100000747449 [0,2,0,0,0,0|1,0,0]=3 6886 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100000747449 [0,2,0,0,0,0|1,0,0]=3 6887 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000747449 [0,2,0,0,0,0|2,0,0]=4 6888 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000747449 [0,2,0,0,0,0|2,0,0]=4 6889 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100000747449 [0,2,0,0,0,0|2,0,0]=4 6890 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100000747449 [0,2,0,0,0,0|2,0,0]=4 6891 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)N 34a_100000694353_100000747449 [0,2,0,0,0,0|2,0,0]=4 6892 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Br)N 7a_100000694353_100000747449 [0,2,0,0,0,0|2,0,0]=4 6893 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)C)Cl 34a_100000034925_100000747449 [0,2,0,0,0,0|2,0,0]=4 6894 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)C)Cl 7a_100000034925_100000747449 [0,2,0,0,0,0|2,0,0]=4 6895 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000747449 [0,2,0,0,0,0|1,0,0]=3 6896 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000747449 [0,2,0,0,0,0|1,0,0]=3 6897 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000747449 [0,2,0,0,0,0|2,0,0]=4 6898 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000747449 [0,2,0,0,0,0|2,0,0]=4 6899 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000747449 [0,2,0,0,0,0|2,0,0]=4 6900 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000747449 [0,2,0,0,0,0|2,0,0]=4 6901 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000747449 [0,2,0,0,0,0|2,0,0]=4 6902 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000747449 [0,2,0,0,0,0|2,0,0]=4 6903 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)F)F 34a_100011935252_100000747449 [0,2,0,0,0,0|2,0,0]=4 6904 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)F)F 7a_100011935252_100000747449 [0,2,0,0,0,0|2,0,0]=4 6905 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)I)C 34a_200015900153_100000747449 [0,2,0,0,0,0|1,0,0]=3 6906 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)I)C 7a_200015900153_100000747449 [0,2,0,0,0,0|1,0,0]=3 6907 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000747449 [0,2,0,0,0,0|2,0,0]=4 6908 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000747449 [0,2,0,0,0,0|2,0,0]=4 6909 B15R1.38791 COC(=O)COc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000747449 [0,2,0,0,0,0|2,0,0]=4 6910 B15R1.38791 COC(=O)COc1c(cc(cc1F)Br)F 34a_100011216917_100000747449 [0,2,0,0,0,0|2,0,0]=4 6911 B15R1.38791 COC(=O)COc1c(cc(cc1F)Br)F 7a_100011216917_100000747449 [0,2,0,0,0,0|2,0,0]=4 6912 B15R1.38791 COC(=O)COc1c(cc(cc1F)Br)N 34a_100011217383_100000747449 [0,2,0,0,0,0|2,0,0]=4 6913 B15R1.38791 COC(=O)COc1c(cc(cc1F)Br)N 7a_100011217383_100000747449 [0,2,0,0,0,0|2,0,0]=4 6914 B15R1.38791 COC(=O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100000747449 [0,2,0,0,0,0|2,0,0]=4 6915 B15R1.38791 COC(=O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100000747449 [0,2,0,0,0,0|2,0,0]=4 6916 B15R1.38791 COC(=O)COc1c(cc(cc1F)F)F 34a_100011218396_100000747449 [0,2,0,0,0,0|2,0,0]=4 6917 B15R1.38791 COC(=O)COc1c(cc(cc1F)F)F 7a_100011218396_100000747449 [0,2,0,0,0,0|2,0,0]=4 6918 B15R1.38791 COC(=O)COc1c(cc(cc1F)F)N 34a_100015205836_100000747449 [0,2,0,0,0,0|2,0,0]=4 6919 B15R1.38791 COC(=O)COc1c(cc(cc1F)F)N 7a_100015205836_100000747449 [0,2,0,0,0,0|2,0,0]=4 6920 B15R1.38791 COC(=O)COc1c(cc(cc1F)I)F 34a_200011830255_100000747449 [0,2,0,0,0,0|2,0,0]=4 6921 B15R1.38791 COC(=O)COc1c(cc(cc1F)I)F 7a_200011830255_100000747449 [0,2,0,0,0,0|2,0,0]=4 6922 B15R1.38791 COC(=O)COc1c(cc(cc1F)N)F 34a_100016987357_100000747449 [0,2,0,0,0,0|2,0,0]=4 6923 B15R1.38791 COC(=O)COc1c(cc(cc1F)N)F 7a_100016987357_100000747449 [0,2,0,0,0,0|2,0,0]=4 6924 B15R1.38791 COC(=O)COc1c(cc(cc1I)Br)F 34a_100013354677_100000747449 [0,2,0,0,0,0|2,0,0]=4 6925 B15R1.38791 COC(=O)COc1c(cc(cc1I)Br)F 7a_100013354677_100000747449 [0,2,0,0,0,0|2,0,0]=4 6926 B15R1.38791 COC(=O)COc1c(cc(cc1I)Br)I 7a_100009997433_100000747449 [0,2,0,0,0,0|2,0,0]=4 6927 B15R1.38791 COC(=O)COc1c(cc(cc1I)Br)N 7a_100016071998_100000747449 [0,2,0,0,0,0|2,0,0]=4 6928 B15R1.38791 COC(=O)COc1c(cc(cc1I)C)F 34a_200135191068_100000747449 [0,2,0,0,0,0|2,0,0]=4 6929 B15R1.38791 COC(=O)COc1c(cc(cc1I)C)F 7a_200135191068_100000747449 [0,2,0,0,0,0|2,0,0]=4 6930 B15R1.38791 COC(=O)COc1c(cc(cc1I)Cl)C 34a_100012343667_100000747449 [0,2,0,0,0,0|1,0,0]=3 6931 B15R1.38791 COC(=O)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000747449 [0,2,0,0,0,0|1,0,0]=3 6932 B15R1.38791 COC(=O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000747449 [0,2,0,0,0,0|2,0,0]=4 6933 B15R1.38791 COC(=O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000747449 [0,2,0,0,0,0|2,0,0]=4 6934 B15R1.38791 COC(=O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100000747449 [0,2,0,0,0,0|2,0,0]=4 6935 B15R1.38791 COC(=O)COc1c(cc(cc1I)F)Br 34a_200013085147_100000747449 [0,2,0,0,0,0|2,0,0]=4 6936 B15R1.38791 COC(=O)COc1c(cc(cc1I)F)Br 7a_200013085147_100000747449 [0,2,0,0,0,0|2,0,0]=4 6937 B15R1.38791 COC(=O)COc1c(cc(cc1I)F)F 34a_200013204775_100000747449 [0,2,0,0,0,0|2,0,0]=4 6938 B15R1.38791 COC(=O)COc1c(cc(cc1I)F)F 7a_200013204775_100000747449 [0,2,0,0,0,0|2,0,0]=4 6939 B15R1.38791 COC(=O)COc1c(cc(cc1I)I)Cl 7a_100009997439_100000747449 [0,2,0,0,0,0|2,0,0]=4 6940 B15R1.38791 COC(=O)COc1c(cc(cc1N)Br)C 34a_100011825904_100000747449 [0,2,0,0,0,0|1,0,0]=3 6941 B15R1.38791 COC(=O)COc1c(cc(cc1N)Br)C 7a_100011825904_100000747449 [0,2,0,0,0,0|1,0,0]=3 6942 B15R1.38791 COC(=O)COc1c(cc(cc1N)C)C 34a_100011216242_100000747449 [0,2,0,0,0,0|1,0,0]=3 6943 B15R1.38791 COC(=O)COc1c(cc(cc1N)C)C 7a_100011216242_100000747449 [0,2,0,0,0,0|1,0,0]=3 6944 B15R1.38791 COC(=O)COc1c(cc(cc1N)F)C 34a_100000130126_100000747449 [0,2,0,0,0,0|1,0,0]=3 6945 B15R1.38791 COC(=O)COc1c(cc(cc1N)F)C 7a_100000130126_100000747449 [0,2,0,0,0,0|1,0,0]=3 6946 B15R1.38791 COC(=O)COc1c(cc(nc1C)Br)Br 34a_200010233669_100000747449 [0,2,0,0,0,0|2,0,0]=4 6947 B15R1.38791 COC(=O)COc1c(cc(nc1C)Br)Br 7a_200010233669_100000747449 [0,2,0,0,0,0|2,0,0]=4 6948 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)Br)C 62a_100000747449_200010208242 [0,2,0,0,0,0|1,1,0]=4 6949 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)Br)C 62a_200010208242_100000747449 [0,2,0,0,0,0|1,1,0]=4 6950 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)C)C 62a_100000747449_200012353697 [0,2,0,0,0,0|1,1,0]=4 6951 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)C)C 62a_200012353697_100000747449 [0,2,0,0,0,0|1,1,0]=4 6952 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)F)C 62a_100000747449_100010208209 [0,2,0,0,0,0|1,1,0]=4 6953 B15R1.38791 COC(=O)CSc1c(cc(cc1Br)F)C 62a_100010208209_100000747449 [0,2,0,0,0,0|1,1,0]=4 6954 B15R1.38791 COC(=O)CSc1c(cc(cc1C)Br)C 62a_100000747449_100009814048 [0,2,0,0,0,0|0,1,0]=3 6955 B15R1.38791 COC(=O)CSc1c(cc(cc1C)Br)C 62a_100009814048_100000747449 [0,2,0,0,0,0|0,1,0]=3 6956 B15R1.38791 COC(=O)CSc1c(cc(cc1C)C)C 62a_100000747449_100011204320 [0,2,0,0,0,0|0,1,0]=3 6957 B15R1.38791 COC(=O)CSc1c(cc(cc1C)C)C 62a_100011204320_100000747449 [0,2,0,0,0,0|0,1,0]=3 6958 B15R1.38791 COC(=O)CSc1c(cc(cc1C)Cl)C 62a_100000747449_100010244930 [0,2,0,0,0,0|0,1,0]=3 6959 B15R1.38791 COC(=O)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100000747449 [0,2,0,0,0,0|0,1,0]=3 6960 B15R1.38791 COC(=O)CSc1c(cc(cc1C)F)C 62a_100000747449_100012356666 [0,2,0,0,0,0|0,1,0]=3 6961 B15R1.38791 COC(=O)CSc1c(cc(cc1C)F)C 62a_100012356666_100000747449 [0,2,0,0,0,0|0,1,0]=3 6962 B15R1.38791 COC(=O)CSc1c(cc(cc1C)N)C 62a_100000215964_100000747449 [0,2,0,0,0,0|0,1,0]=3 6963 B15R1.38791 COC(=O)CSc1c(cc(cc1C)N)C 62a_100000747449_100000215964 [0,2,0,0,0,0|0,1,0]=3 6964 B15R1.38791 COC(=O)CSc1c(cc(cc1C)O)C 62a_100000243743_100000747449 [0,2,0,0,0,0|0,1,0]=3 6965 B15R1.38791 COC(=O)CSc1c(cc(cc1C)O)C 62a_100000747449_100000243743 [0,2,0,0,0,0|0,1,0]=3 6966 B15R1.38791 COC(=O)CSc1c(cc(cc1Cl)Cl)C 62a_100000747449_200000035511 [0,2,0,0,0,0|1,1,0]=4 6967 B15R1.38791 COC(=O)CSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100000747449 [0,2,0,0,0,0|1,1,0]=4 6968 B15R1.38791 COC(=O)CSc1c(cc(cc1Cl)F)C 62a_100000747449_100010079234 [0,2,0,0,0,0|1,1,0]=4 6969 B15R1.38791 COC(=O)CSc1c(cc(cc1Cl)F)C 62a_100010079234_100000747449 [0,2,0,0,0,0|1,1,0]=4 6970 B15R1.38791 COC(=O)CSc1c(cc(cc1F)F)C 62a_100000747449_100015332101 [0,2,0,0,0,0|1,1,0]=4 6971 B15R1.38791 COC(=O)CSc1c(cc(cc1F)F)C 62a_100015332101_100000747449 [0,2,0,0,0,0|1,1,0]=4 6972 B15R1.38791 COC(=O)CSc1c(cc(cc1F)N)C 62a_100000747449_100010115923 [0,2,0,0,0,0|1,1,0]=4 6973 B15R1.38791 COC(=O)CSc1c(cc(cc1F)N)C 62a_100010115923_100000747449 [0,2,0,0,0,0|1,1,0]=4 6974 B15R1.38791 COC(=O)CSc1c(cc(cc1N)Cl)C 62a_100000698757_100000747449 [0,2,0,0,0,0|1,1,0]=4 6975 B15R1.38791 COC(=O)CSc1c(cc(cc1N)Cl)C 62a_100000747449_100000698757 [0,2,0,0,0,0|1,1,0]=4 6976 B15R1.38791 COC(=O)CSc1c(cc(cc1O)C)C 62a_100000747449_100010342985 [0,2,0,0,0,0|1,1,0]=4 6977 B15R1.38791 COC(=O)CSc1c(cc(cc1O)C)C 62a_100010342985_100000747449 [0,2,0,0,0,0|1,1,0]=4 6978 B15R1.38791 COC(=O)CSc1c(cc(cc1O)Cl)C 62a_100000747449_100010254216 [0,2,0,0,0,0|1,1,0]=4 6979 B15R1.38791 COC(=O)CSc1c(cc(cc1O)Cl)C 62a_100010254216_100000747449 [0,2,0,0,0,0|1,1,0]=4 6980 B15R1.38791 COC(=O)CSc1c(cc(nc1C)N)C 62a_100000699364_100000747449 [0,2,0,0,0,0|1,1,0]=4 6981 B15R1.38791 COC(=O)CSc1c(cc(nc1C)N)C 62a_100000747449_100000699364 [0,2,0,0,0,0|1,1,0]=4 6982 B15R1.38791 Cc1cc(c(c(c1)C)CNC(=O)CO)C 240690a_100000737526_100000210174 [0,2,0,0,0,0|2,0,0]=4 6983 B15R1.38791 Cc1cc(c(c(c1)C)CNC(=O)CO)C 527a_100000737526_100000210174 [0,2,0,0,0,0|2,0,0]=4 6984 B15R1.38791 Cc1cc(c(c(c1)C)NNC(=O)CO)C 22a_100000764542_100000210174 [0,2,0,0,0,0|2,0,0]=4 6985 B15R1.38791 Cc1cc(c(c(c1)C)OCC(=O)CF)C 1458a_200000183695_100015361967 [0,2,0,0,0,0|1,0,0]=3 6986 B15R1.38791 Cc1cc(c(c(c1)C)OCC(O)CO)C 34a_100000212074_100011219619 [0,2,0,0,0,0|0,0,2]=4 6987 B15R1.38791 Cc1cc(c(c(c1)C)OCC(O)CO)C 7a_100000212074_100011219619 [0,2,0,0,0,0|0,0,2]=4 6988 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](C)CO)C 34a_100000212074_100000059175 [0,2,0,0,0,0|1,0,1]=4 6989 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](C)CO)C 7a_100000212074_100000059175 [0,2,0,0,0,0|1,0,1]=4 6990 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CF)C 34a_100000212074_100015614560 [0,2,0,0,0,0|1,0,1]=4 6991 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CF)C 7a_100000212074_100015614560 [0,2,0,0,0,0|1,0,1]=4 6992 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CO)C 34a_100000212074_100009815848 [0,2,0,0,0,0|0,0,2]=4 6993 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CO)C 7a_100000212074_100009815848 [0,2,0,0,0,0|0,0,2]=4 6994 B15R1.38791 Cc1cc(c(c(c1)Cl)OCC(=O)CF)C 1458a_200000013560_100015361967 [0,2,0,0,0,0|2,0,0]=4 6995 B15R1.38791 Cc1cc(cc(c1NNC(=O)CO)C)Br 22a_100020646918_100000210174 [0,2,0,0,0,0|2,0,0]=4 6996 B15R1.38791 Cc1cc(cc(c1OCC(=O)CF)C)Br 1458a_100009812269_100015361967 [0,2,0,0,0,0|1,0,0]=3 6997 B15R1.38791 Cc1cc(cc(c1OCC(=O)CF)C)Cl 1458a_100000183735_100015361967 [0,2,0,0,0,0|1,0,0]=3 6998 B15R1.38791 Cc1cc(cc(c1OCC(=O)CF)Cl)Br 1458a_100000179748_100015361967 [0,2,0,0,0,0|2,0,0]=4 6999 B15R1.38791 Cc1cc(cc(c1OCC(=O)CF)Cl)Cl 1458a_100000013561_100015361967 [0,2,0,0,0,0|2,0,0]=4 7000 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Br 34a_100000187306_100011219619 [0,2,0,0,0,0|0,0,2]=4 7001 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Br 7a_100000187306_100011219619 [0,2,0,0,0,0|0,0,2]=4 7002 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Cl 34a_100000211519_100011219619 [0,2,0,0,0,0|0,0,2]=4 7003 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Cl 7a_100000211519_100011219619 [0,2,0,0,0,0|0,0,2]=4 7004 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)F 34a_100000081862_100011219619 [0,2,0,0,0,0|0,0,2]=4 7005 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)F 7a_100000081862_100011219619 [0,2,0,0,0,0|0,0,2]=4 7006 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)I 34a_100011216129_100011219619 [0,2,0,0,0,0|0,0,2]=4 7007 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)I 7a_100011216129_100011219619 [0,2,0,0,0,0|0,0,2]=4 7008 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)N 34a_100000703291_100011219619 [0,2,0,0,0,0|0,0,2]=4 7009 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)N 7a_100000703291_100011219619 [0,2,0,0,0,0|0,0,2]=4 7010 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Br 34a_100000187306_100000059175 [0,2,0,0,0,0|1,0,1]=4 7011 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Br 7a_100000187306_100000059175 [0,2,0,0,0,0|1,0,1]=4 7012 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Cl 34a_100000211519_100000059175 [0,2,0,0,0,0|1,0,1]=4 7013 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Cl 7a_100000211519_100000059175 [0,2,0,0,0,0|1,0,1]=4 7014 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)F 34a_100000081862_100000059175 [0,2,0,0,0,0|1,0,1]=4 7015 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)F 7a_100000081862_100000059175 [0,2,0,0,0,0|1,0,1]=4 7016 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)I 34a_100011216129_100000059175 [0,2,0,0,0,0|1,0,1]=4 7017 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)I 7a_100011216129_100000059175 [0,2,0,0,0,0|1,0,1]=4 7018 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)N 34a_100000703291_100000059175 [0,2,0,0,0,0|1,0,1]=4 7019 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)N 7a_100000703291_100000059175 [0,2,0,0,0,0|1,0,1]=4 7020 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Br 34a_100000187306_100015614560 [0,2,0,0,0,0|1,0,1]=4 7021 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Br 7a_100000187306_100015614560 [0,2,0,0,0,0|1,0,1]=4 7022 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Cl 34a_100000211519_100015614560 [0,2,0,0,0,0|1,0,1]=4 7023 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Cl 7a_100000211519_100015614560 [0,2,0,0,0,0|1,0,1]=4 7024 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)F 34a_100000081862_100015614560 [0,2,0,0,0,0|1,0,1]=4 7025 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)F 7a_100000081862_100015614560 [0,2,0,0,0,0|1,0,1]=4 7026 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)I 34a_100011216129_100015614560 [0,2,0,0,0,0|1,0,1]=4 7027 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)I 7a_100011216129_100015614560 [0,2,0,0,0,0|1,0,1]=4 7028 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)N 34a_100000703291_100015614560 [0,2,0,0,0,0|1,0,1]=4 7029 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)N 7a_100000703291_100015614560 [0,2,0,0,0,0|1,0,1]=4 7030 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Br 34a_100000187306_100009815848 [0,2,0,0,0,0|0,0,2]=4 7031 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Br 7a_100000187306_100009815848 [0,2,0,0,0,0|0,0,2]=4 7032 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Cl 34a_100000211519_100009815848 [0,2,0,0,0,0|0,0,2]=4 7033 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Cl 7a_100000211519_100009815848 [0,2,0,0,0,0|0,0,2]=4 7034 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)F 34a_100000081862_100009815848 [0,2,0,0,0,0|0,0,2]=4 7035 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)F 7a_100000081862_100009815848 [0,2,0,0,0,0|0,0,2]=4 7036 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)I 34a_100011216129_100009815848 [0,2,0,0,0,0|0,0,2]=4 7037 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)I 7a_100011216129_100009815848 [0,2,0,0,0,0|0,0,2]=4 7038 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)N 34a_100000703291_100009815848 [0,2,0,0,0,0|0,0,2]=4 7039 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)N 7a_100000703291_100009815848 [0,2,0,0,0,0|0,0,2]=4 7040 B15R1.23306 Cc1ccc(c(c1C)OCC(C)(C)O)C 34a_100000211305_100000764493 [0,2,0,0,0,0|1,0,1]=4 7041 B15R1.23306 Cc1ccc(c(c1C)OCC(C)(C)O)C 7a_100000211305_100000764493 [0,2,0,0,0,0|1,0,1]=4 7042 B15R1.23306 Cc1ccc(c(c1C)OCS(=O)(=O)[O-])C 34a_100000211305_100009817235 [0,2,0,0,0,0|1,0,1]=4 7043 B15R1.28269 COC(C)(C)COc1c(cccc1C)C 34a_100000210341_100000701081 [0,2,0,0,0,0|1,0,1]=4 7044 B15R1.28269 Cc1cccc(c1OCC(C)(C)CO)C 34a_100000210341_100009813988 [0,2,0,0,0,0|1,0,1]=4 7045 B15R1.28269 Cc1cccc(c1OCC(C)(C)CO)C 7a_100000210341_100009813988 [0,2,0,0,0,0|1,0,1]=4 7046 B15R1.8295 CC(=O)C(C)C(=O)c1c(cccc1C)C 1458a_100000758298_100000179758 [0,2,0,0,0,0|2,0,0]=4 7047 B15R1.8295 CC(=O)C(C)N(C)c1c(cccc1C)C 2230a_100011645471_100009814033 [0,2,0,0,0,0|2,0,0]=4 7048 B15R1.8295 CC(=O)C(C)N(C)c1c(cccc1C)C 269982a_100011645471_100009814033 [0,2,0,0,0,0|2,0,0]=4 7049 B15R1.8295 Cc1cccc(c1C(=O)C(C)C(=O)N)C 1458a_100000758298_100000702099 [0,2,0,0,0,0|2,0,0]=4 7050 B15R1.8295 Cc1cccc(c1C(=O)C(F)C(=O)N)C 1458a_100000758298_100009813875 [0,2,0,0,0,0|2,0,0]=4 7051 B15R1.8295 Cc1cccc(c1C(=O)C(F)C(=O)[O-])C 1458a_100000758298_100020610796 [0,2,0,0,0,0|1,0,1]=4 7052 B15R1.8295 Cc1cccc(c1N(C)C(C)C(=O)N)C 2230a_100011645471_100000702099 [0,2,0,0,0,0|2,0,0]=4 7053 B15R1.8295 Cc1cccc(c1N(C)C(C)C(=O)N)C 269982a_100011645471_100000184083 [0,2,0,0,0,0|2,0,0]=4 7054 B15R1.8295 Cc1cccc(c1N(C)C(C)C(=O)N)C 34a_100011645471_100000702099 [0,2,0,0,0,0|2,0,0]=4 7055 B15R1.8295 Cc1cccc(c1N(C)C(F)C(=O)N)C 2230a_100011645471_100009813875 [0,2,0,0,0,0|2,0,0]=4 7056 B15R1.8295 Cc1cccc(c1N(C)C(F)C(=O)N)C 269982a_100011645471_100009813875 [0,2,0,0,0,0|2,0,0]=4 7057 B15R1.8295 Cc1cccc(c1N(C)C(F)C(=O)N)C 34a_100011645471_100009813875 [0,2,0,0,0,0|2,0,0]=4 7058 B15R1.8295 Cc1cccc(c1N(C)C(F)C(=O)[O-])C 34a_100011645471_100020610796 [0,2,0,0,0,0|1,0,1]=4 7059 B15R1.8455 Cc1ccc(c(c1C(=O)CC(=O)N)C)Br 1458a_100012355652_100000187820 [0,2,0,0,0,0|2,0,0]=4 7060 B15R1.8455 Cc1ccc(c(c1C(=O)CC(=O)[O-])C)Br 1458a_100012355652_100020667443 [0,2,0,0,0,0|1,0,1]=4 7061 B15R1.36276 CCC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000747405 [0,2,0,0,0,0|2,0,0]=4 7062 B15R1.36276 CCC(=O)CN(C)c1c(cccc1C)C 269982a_100011645471_100000747405 [0,2,0,0,0,0|2,0,0]=4 7063 B15R1.36276 CNC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000183359 [0,2,0,0,0,0|2,0,0]=4 7064 B15R1.36276 CNC(=O)CN(C)c1c(cccc1C)C 2230a_100011645471_100000183359 [0,2,0,0,0,0|2,0,0]=4 7065 B15R1.36276 CNC(=O)CN(C)c1c(cccc1C)C 269982a_100011645471_100000183359 [0,2,0,0,0,0|2,0,0]=4 7066 B15R1.36276 CNC(=O)CN(C)c1c(cccc1C)C 34a_100011645471_100000183359 [0,2,0,0,0,0|2,0,0]=4 7067 B15R1.36276 COC(=O)CC(=O)c1c(cccc1Br)C 1458a_100000701904_100000747449 [0,2,0,0,0,0|2,0,0]=4 7068 B15R1.36276 COC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000747449 [0,2,0,0,0,0|1,0,0]=3 7069 B15R1.36276 COC(=O)CC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000747449 [0,2,0,0,0,0|2,0,0]=4 7070 B15R1.36276 COC(=O)CC(=O)c1c(cccc1F)C 1458a_100000762013_100000747449 [0,2,0,0,0,0|2,0,0]=4 7071 B15R1.36276 COC(=O)CC(=O)c1c(cccc1I)C 1458a_100000688020_100000747449 [0,2,0,0,0,0|2,0,0]=4 7072 B15R1.36276 COC(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100000747449 [0,2,0,0,0,0|2,0,0]=4 7073 B15R1.36276 COC(=O)CN(C)c1c(cccc1C)C 2230a_100011645471_100000747449 [0,2,0,0,0,0|1,0,0]=3 7074 B15R1.36276 COC(=O)CN(C)c1c(cccc1C)C 269982a_100011645471_100000747449 [0,2,0,0,0,0|1,0,0]=3 7075 B15R1.36276 COC(=O)CN(C)c1c(cccc1C)C 34a_100011645471_100000747449 [0,2,0,0,0,0|1,0,0]=3 7076 B15R1.36276 Cc1cccc(c1[C@H](C)NC(=O)CO)C 240690a_100016987977_100000210174 [0,2,0,0,0,0|2,0,0]=4 7077 B15R1.36276 Cc1cccc(c1[C@H](C)NC(=O)CO)C 527a_100016987977_100000210174 [0,2,0,0,0,0|2,0,0]=4 7078 B15R1.8417 CC(=O)C(C)Nc1c(ccc(c1C)C)C 2230a_100000117417_100009814033 [0,2,0,0,0,0|2,0,0]=4 7079 B15R1.8417 CC(=O)C(C)Nc1c(ccc(c1C)C)C 7a_100000117417_100000179758 [0,2,0,0,0,0|2,0,0]=4 7080 B15R1.8417 CC(=O)C(C)Nc1c(ccc(c1C)Cl)C 2230a_200020642106_100009814033 [0,2,0,0,0,0|2,0,0]=4 7081 B15R1.8417 CC(=O)C(C)Oc1c(ccc(c1C)C)C 7a_100000211305_100000179758 [0,2,0,0,0,0|1,0,0]=3 7082 B15R1.8417 CC(=O)C(C)Oc1c(ccc(c1C)Cl)Br 7a_200010391122_100000179758 [0,2,0,0,0,0|2,0,0]=4 7083 B15R1.8417 CC(=O)C(C)Oc1c(ccc(c1C)F)Br 7a_200010391124_100000179758 [0,2,0,0,0,0|2,0,0]=4 7084 B15R1.8417 CC(=O)C(C)Oc1c(ccc(c1Cl)N)C 7a_100000036876_100000179758 [0,2,0,0,0,0|2,0,0]=4 7085 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)F)C 62a_100009814033_100011068659 [0,2,0,0,0,0|1,1,0]=4 7086 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)F)C 62a_100011068659_100009814033 [0,2,0,0,0,0|1,1,0]=4 7087 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)N)C 62a_100009814033_106354213274 [0,2,0,0,0,0|1,1,0]=4 7088 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)N)C 62a_106354213274_100009814033 [0,2,0,0,0,0|1,1,0]=4 7089 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)O)C 62a_100009814033_100010659238 [0,2,0,0,0,0|1,1,0]=4 7090 B15R1.8417 CC(=O)C(C)Sc1c(ccc(c1C)O)C 62a_100010659238_100009814033 [0,2,0,0,0,0|1,1,0]=4 7091 B15R1.8417 Cc1c(ccc(c1OC(C)C(=O)N)Br)Cl 34a_200010391122_100000702099 [0,2,0,0,0,0|2,0,0]=4 7092 B15R1.8417 Cc1c(ccc(c1OC(C)C(=O)N)Br)Cl 7a_200010391122_100000702099 [0,2,0,0,0,0|2,0,0]=4 7093 B15R1.8417 Cc1c(ccc(c1OC(C)C(=O)N)Br)F 34a_200010391124_100000702099 [0,2,0,0,0,0|2,0,0]=4 7094 B15R1.8417 Cc1c(ccc(c1OC(C)C(=O)N)Br)F 7a_200010391124_100000702099 [0,2,0,0,0,0|2,0,0]=4 7095 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)N)Br)Cl 34a_200010391122_100009813875 [0,2,0,0,0,0|2,0,0]=4 7096 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)N)Br)Cl 7a_200010391122_100009813875 [0,2,0,0,0,0|2,0,0]=4 7097 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)N)Br)F 34a_200010391124_100009813875 [0,2,0,0,0,0|2,0,0]=4 7098 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)N)Br)F 7a_200010391124_100009813875 [0,2,0,0,0,0|2,0,0]=4 7099 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)[O-])Br)Cl 34a_200010391122_100020610796 [0,2,0,0,0,0|1,0,1]=4 7100 B15R1.8417 Cc1c(ccc(c1OC(F)C(=O)[O-])Br)F 34a_200010391124_100020610796 [0,2,0,0,0,0|1,0,1]=4 7101 B15R1.8417 Cc1ccc(c(c1C)NC(C)C(=O)N)C 2230a_100000117417_100000702099 [0,2,0,0,0,0|2,0,0]=4 7102 B15R1.8417 Cc1ccc(c(c1C)NC(C)C(=O)N)C 34a_100000117417_100000702099 [0,2,0,0,0,0|2,0,0]=4 7103 B15R1.8417 Cc1ccc(c(c1C)NC(C)C(=O)N)C 7a_100000117417_100000702099 [0,2,0,0,0,0|2,0,0]=4 7104 B15R1.8417 Cc1ccc(c(c1C)NC(F)C(=O)N)C 2230a_100000117417_100009813875 [0,2,0,0,0,0|2,0,0]=4 7105 B15R1.8417 Cc1ccc(c(c1C)NC(F)C(=O)N)C 34a_100000117417_100009813875 [0,2,0,0,0,0|2,0,0]=4 7106 B15R1.8417 Cc1ccc(c(c1C)NC(F)C(=O)N)C 7a_100000117417_100009813875 [0,2,0,0,0,0|2,0,0]=4 7107 B15R1.8417 Cc1ccc(c(c1C)NC(F)C(=O)[O-])C 34a_100000117417_100020610796 [0,2,0,0,0,0|1,0,1]=4 7108 B15R1.8417 Cc1ccc(c(c1C)OC(C)C(=O)N)C 34a_100000211305_100000702099 [0,2,0,0,0,0|1,0,0]=3 7109 B15R1.8417 Cc1ccc(c(c1C)OC(C)C(=O)N)C 7a_100000211305_100000702099 [0,2,0,0,0,0|1,0,0]=3 7110 B15R1.8417 Cc1ccc(c(c1C)OC(F)C(=O)N)C 34a_100000211305_100009813875 [0,2,0,0,0,0|1,0,0]=3 7111 B15R1.8417 Cc1ccc(c(c1C)OC(F)C(=O)N)C 7a_100000211305_100009813875 [0,2,0,0,0,0|1,0,0]=3 7112 B15R1.8417 Cc1ccc(c(c1C)OC(F)C(=O)[O-])C 34a_100000211305_100020610796 [0,2,0,0,0,0|0,0,1]=3 7113 B15R1.8417 Cc1ccc(c(c1NC(C)C(=O)N)C)Br 34a_200010074581_100000702099 [0,2,0,0,0,0|2,0,0]=4 7114 B15R1.8417 Cc1ccc(c(c1NC(C)C(=O)N)C)Cl 2230a_200020642106_100000702099 [0,2,0,0,0,0|2,0,0]=4 7115 B15R1.8417 Cc1ccc(c(c1NC(C)C(=O)N)C)Cl 34a_200020642106_100000702099 [0,2,0,0,0,0|2,0,0]=4 7116 B15R1.8417 Cc1ccc(c(c1NC(C)C(=O)N)C)I 34a_200010115591_100000702099 [0,2,0,0,0,0|2,0,0]=4 7117 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)N)C)Br 34a_200010074581_100009813875 [0,2,0,0,0,0|2,0,0]=4 7118 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)N)C)Cl 2230a_200020642106_100009813875 [0,2,0,0,0,0|2,0,0]=4 7119 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)N)C)Cl 34a_200020642106_100009813875 [0,2,0,0,0,0|2,0,0]=4 7120 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)N)C)I 34a_200010115591_100009813875 [0,2,0,0,0,0|2,0,0]=4 7121 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)[O-])C)Br 34a_200010074581_100020610796 [0,2,0,0,0,0|1,0,1]=4 7122 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)[O-])C)Cl 34a_200020642106_100020610796 [0,2,0,0,0,0|1,0,1]=4 7123 B15R1.8417 Cc1ccc(c(c1NC(F)C(=O)[O-])C)I 34a_200010115591_100020610796 [0,2,0,0,0,0|1,0,1]=4 7124 B15R1.8417 Cc1ccc(c(c1OC(C)C(=O)N)Cl)N 34a_100000036876_100000702099 [0,2,0,0,0,0|2,0,0]=4 7125 B15R1.8417 Cc1ccc(c(c1OC(C)C(=O)N)Cl)N 7a_100000036876_100000702099 [0,2,0,0,0,0|2,0,0]=4 7126 B15R1.8417 Cc1ccc(c(c1OC(F)C(=O)N)Cl)N 34a_100000036876_100009813875 [0,2,0,0,0,0|2,0,0]=4 7127 B15R1.8417 Cc1ccc(c(c1OC(F)C(=O)N)Cl)N 7a_100000036876_100009813875 [0,2,0,0,0,0|2,0,0]=4 7128 B15R1.8417 Cc1ccc(c(c1OC(F)C(=O)[O-])Cl)N 34a_100000036876_100020610796 [0,2,0,0,0,0|1,0,1]=4 7129 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)F 62a_100000702099_100011068659 [0,2,0,0,0,0|1,1,0]=4 7130 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)F 62a_100011068659_100000702099 [0,2,0,0,0,0|1,1,0]=4 7131 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)N 62a_100000702099_106354213274 [0,2,0,0,0,0|1,1,0]=4 7132 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)N 62a_106354213274_100000702099 [0,2,0,0,0,0|1,1,0]=4 7133 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)O 62a_100000702099_100010659238 [0,2,0,0,0,0|1,1,0]=4 7134 B15R1.8417 Cc1ccc(c(c1SC(C)C(=O)N)C)O 62a_100010659238_100000702099 [0,2,0,0,0,0|1,1,0]=4 7135 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)F 62a_100009813875_100011068659 [0,2,0,0,0,0|1,1,0]=4 7136 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)F 62a_100011068659_100009813875 [0,2,0,0,0,0|1,1,0]=4 7137 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)N 62a_100009813875_106354213274 [0,2,0,0,0,0|1,1,0]=4 7138 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)N 62a_106354213274_100009813875 [0,2,0,0,0,0|1,1,0]=4 7139 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)O 62a_100009813875_100010659238 [0,2,0,0,0,0|1,1,0]=4 7140 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)N)C)O 62a_100010659238_100009813875 [0,2,0,0,0,0|1,1,0]=4 7141 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)F 62a_100011068659_100020610796 [0,2,0,0,0,0|0,1,1]=4 7142 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)F 62a_100020610796_100011068659 [0,2,0,0,0,0|0,1,1]=4 7143 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)N 62a_100020610796_106354213274 [0,2,0,0,0,0|0,1,1]=4 7144 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)N 62a_106354213274_100020610796 [0,2,0,0,0,0|0,1,1]=4 7145 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)O 62a_100010659238_100020610796 [0,2,0,0,0,0|0,1,1]=4 7146 B15R1.8417 Cc1ccc(c(c1SC(F)C(=O)[O-])C)O 62a_100020610796_100010659238 [0,2,0,0,0,0|0,1,1]=4 7147 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Br)C 7a_100009817157_100000742827 [0,2,0,0,0,0|2,0,0]=4 7148 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1C)C 7a_100000210341_100000742827 [0,2,0,0,0,0|1,0,0]=3 7149 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000742827 [0,2,0,0,0,0|2,0,0]=4 7150 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1F)C 7a_100011659162_100000742827 [0,2,0,0,0,0|2,0,0]=4 7151 B15R1.13264 CCC(=O)C(C)Oc1c(cccc1N)C 7a_100000756359_100000742827 [0,2,0,0,0,0|2,0,0]=4 7152 B15R1.13264 CCC(=O)C(C)Oc1c(ccnc1C)C 7a_100011934651_100000742827 [0,2,0,0,0,0|2,0,0]=4 7153 B15R1.13264 CCC(=O)C(C)Sc1c(cccc1C)C 62a_100000033847_100000742827 [0,2,0,0,0,0|1,1,0]=4 7154 B15R1.13264 CCC(=O)C(C)Sc1c(cccc1C)C 62a_100000742827_100000033847 [0,2,0,0,0,0|1,1,0]=4 7155 B15R1.13264 CNC(=O)C(C)Nc1c(cccc1C)C 34a_100000185769_100000731044 [0,2,0,0,0,0|2,0,0]=4 7156 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Br)C 34a_100009817157_100000731044 [0,2,0,0,0,0|2,0,0]=4 7157 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Br)C 7a_100009817157_100000209862 [0,2,0,0,0,0|2,0,0]=4 7158 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1C)C 34a_100000210341_100000731044 [0,2,0,0,0,0|1,0,0]=3 7159 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1C)C 7a_100000210341_100000209862 [0,2,0,0,0,0|1,0,0]=3 7160 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100000731044 [0,2,0,0,0,0|2,0,0]=4 7161 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000209862 [0,2,0,0,0,0|2,0,0]=4 7162 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1F)C 34a_100011659162_100000731044 [0,2,0,0,0,0|2,0,0]=4 7163 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1F)C 7a_100011659162_100000209862 [0,2,0,0,0,0|2,0,0]=4 7164 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1N)C 34a_100000756359_100000731044 [0,2,0,0,0,0|2,0,0]=4 7165 B15R1.13264 CNC(=O)C(C)Oc1c(cccc1N)C 7a_100000756359_100000209862 [0,2,0,0,0,0|2,0,0]=4 7166 B15R1.13264 CNC(=O)C(C)Oc1c(ccnc1C)C 34a_100011934651_100000731044 [0,2,0,0,0,0|2,0,0]=4 7167 B15R1.13264 CNC(=O)C(C)Oc1c(ccnc1C)C 7a_100011934651_100000209862 [0,2,0,0,0,0|2,0,0]=4 7168 B15R1.13264 CNC(=O)C(C)Sc1c(cccc1C)C 62a_100000033847_100000731044 [0,2,0,0,0,0|1,1,0]=4 7169 B15R1.13264 CNC(=O)C(C)Sc1c(cccc1C)C 62a_100000209862_100000033847 [0,2,0,0,0,0|1,1,0]=4 7170 B15R1.13264 CNC(=O)C(F)Nc1c(cccc1C)C 34a_100000185769_100009813575 [0,2,0,0,0,0|2,0,0]=4 7171 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Br)C 34a_100009817157_100009813575 [0,2,0,0,0,0|2,0,0]=4 7172 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Br)C 7a_100009817157_100009813575 [0,2,0,0,0,0|2,0,0]=4 7173 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1C)C 34a_100000210341_100009813575 [0,2,0,0,0,0|1,0,0]=3 7174 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1C)C 7a_100000210341_100009813575 [0,2,0,0,0,0|1,0,0]=3 7175 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Cl)C 34a_100000033731_100009813575 [0,2,0,0,0,0|2,0,0]=4 7176 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1Cl)C 7a_100000033731_100009813575 [0,2,0,0,0,0|2,0,0]=4 7177 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1F)C 34a_100011659162_100009813575 [0,2,0,0,0,0|2,0,0]=4 7178 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1F)C 7a_100011659162_100009813575 [0,2,0,0,0,0|2,0,0]=4 7179 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1N)C 34a_100000756359_100009813575 [0,2,0,0,0,0|2,0,0]=4 7180 B15R1.13264 CNC(=O)C(F)Oc1c(cccc1N)C 7a_100000756359_100009813575 [0,2,0,0,0,0|2,0,0]=4 7181 B15R1.13264 CNC(=O)C(F)Oc1c(ccnc1C)C 34a_100011934651_100009813575 [0,2,0,0,0,0|2,0,0]=4 7182 B15R1.13264 CNC(=O)C(F)Oc1c(ccnc1C)C 7a_100011934651_100009813575 [0,2,0,0,0,0|2,0,0]=4 7183 B15R1.13264 CNC(=O)C(F)Sc1c(cccc1C)C 62a_100000033847_100009813575 [0,2,0,0,0,0|1,1,0]=4 7184 B15R1.13264 CNC(=O)C(F)Sc1c(cccc1C)C 62a_100009813575_100000033847 [0,2,0,0,0,0|1,1,0]=4 7185 B15R1.13264 COC(=O)C(=O)Nc1c(cccc1C)C 11a_100000185769_100000024059 [0,2,0,0,0,0|1,0,1]=4 7186 B15R1.13264 COC(=O)C(=O)Nc1c(cccc1C)C 1626a_100000185769_100000024059 [0,2,0,0,0,0|1,0,1]=4 7187 B15R1.13264 COC(=O)C(C)Nc1c(cccc1Br)C 34a_100011834072_100000211248 [0,2,0,0,0,0|2,0,0]=4 7188 B15R1.13264 COC(=O)C(C)Nc1c(cccc1C)C 34a_100000185769_100000211248 [0,2,0,0,0,0|1,0,0]=3 7189 B15R1.13264 COC(=O)C(C)Nc1c(cccc1Cl)C 34a_100000756524_100000211248 [0,2,0,0,0,0|2,0,0]=4 7190 B15R1.13264 COC(=O)C(C)Nc1c(cccc1F)C 34a_100000766463_100000211248 [0,2,0,0,0,0|2,0,0]=4 7191 B15R1.13264 COC(=O)C(C)Nc1c(cccc1O)C 34a_100000743429_100000211248 [0,2,0,0,0,0|2,0,0]=4 7192 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)Br 34a_100000736428_100000211248 [0,2,0,0,0,0|2,0,0]=4 7193 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)Br 7a_100000736428_100000211248 [0,2,0,0,0,0|2,0,0]=4 7194 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)C 34a_100009817157_100000211248 [0,2,0,0,0,0|1,0,0]=3 7195 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)C 7a_100009817157_100000211248 [0,2,0,0,0,0|1,0,0]=3 7196 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000211248 [0,2,0,0,0,0|2,0,0]=4 7197 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000211248 [0,2,0,0,0,0|2,0,0]=4 7198 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)F 34a_100009813666_100000211248 [0,2,0,0,0,0|2,0,0]=4 7199 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)F 7a_100009813666_100000211248 [0,2,0,0,0,0|2,0,0]=4 7200 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Br)N 34a_100011934915_100000211248 [0,2,0,0,0,0|2,0,0]=4 7201 B15R1.13264 COC(=O)C(C)Oc1c(cccc1C)C 34a_100000210341_100000211248 [0,2,0,0,0,0|0,0,0]=2 7202 B15R1.13264 COC(=O)C(C)Oc1c(cccc1C)C 7a_100000210341_100000211248 [0,2,0,0,0,0|0,0,0]=2 7203 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)C 34a_100000033731_100000211248 [0,2,0,0,0,0|1,0,0]=3 7204 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)C 7a_100000033731_100000211248 [0,2,0,0,0,0|1,0,0]=3 7205 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000211248 [0,2,0,0,0,0|2,0,0]=4 7206 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000211248 [0,2,0,0,0,0|2,0,0]=4 7207 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)F 34a_100000694953_100000211248 [0,2,0,0,0,0|2,0,0]=4 7208 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)F 7a_100000694953_100000211248 [0,2,0,0,0,0|2,0,0]=4 7209 B15R1.13264 COC(=O)C(C)Oc1c(cccc1Cl)N 34a_100000754742_100000211248 [0,2,0,0,0,0|2,0,0]=4 7210 B15R1.13264 COC(=O)C(C)Oc1c(cccc1F)C 34a_100011659162_100000211248 [0,2,0,0,0,0|1,0,0]=3 7211 B15R1.13264 COC(=O)C(C)Oc1c(cccc1F)C 7a_100011659162_100000211248 [0,2,0,0,0,0|1,0,0]=3 7212 B15R1.13264 COC(=O)C(C)Oc1c(cccc1F)F 34a_100000230165_100000211248 [0,2,0,0,0,0|2,0,0]=4 7213 B15R1.13264 COC(=O)C(C)Oc1c(cccc1F)F 7a_100000230165_100000211248 [0,2,0,0,0,0|2,0,0]=4 7214 B15R1.13264 COC(=O)C(C)Oc1c(cccc1F)N 34a_100011934987_100000211248 [0,2,0,0,0,0|2,0,0]=4 7215 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)Br 34a_100010084509_100000211248 [0,2,0,0,0,0|2,0,0]=4 7216 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)Br 7a_100010084509_100000211248 [0,2,0,0,0,0|2,0,0]=4 7217 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)Cl 34a_100010202889_100000211248 [0,2,0,0,0,0|2,0,0]=4 7218 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)Cl 7a_100010202889_100000211248 [0,2,0,0,0,0|2,0,0]=4 7219 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)F 34a_100010186298_100000211248 [0,2,0,0,0,0|2,0,0]=4 7220 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)F 7a_100010186298_100000211248 [0,2,0,0,0,0|2,0,0]=4 7221 B15R1.13264 COC(=O)C(C)Oc1c(cccc1I)N 34a_100010084371_100000211248 [0,2,0,0,0,0|2,0,0]=4 7222 B15R1.13264 COC(=O)C(C)Oc1c(cccc1N)C 34a_100000756359_100000211248 [0,2,0,0,0,0|1,0,0]=3 7223 B15R1.13264 COC(=O)C(C)Oc1c(cccc1N)C 7a_100000756359_100000211248 [0,2,0,0,0,0|1,0,0]=3 7224 B15R1.13264 COC(=O)C(C)Oc1c(cccc1N)N 34a_200016994477_100000211248 [0,2,0,0,0,0|2,0,0]=4 7225 B15R1.13264 COC(=O)C(C)Oc1c(ccnc1C)C 34a_100011934651_100000211248 [0,2,0,0,0,0|1,0,0]=3 7226 B15R1.13264 COC(=O)C(C)Oc1c(ccnc1C)C 7a_100011934651_100000211248 [0,2,0,0,0,0|1,0,0]=3 7227 B15R1.13264 COC(=O)C(C)Oc1c(ccnc1Cl)C 34a_100000696282_100000211248 [0,2,0,0,0,0|2,0,0]=4 7228 B15R1.13264 COC(=O)C(C)Oc1c(ccnc1Cl)C 7a_100000696282_100000211248 [0,2,0,0,0,0|2,0,0]=4 7229 B15R1.13264 COC(=O)C(C)Oc1c(ncnc1C)C 34a_100009878406_100000211248 [0,2,0,0,0,0|2,0,0]=4 7230 B15R1.13264 COC(=O)C(C)Oc1c(ncnc1C)C 7a_100009878406_100000211248 [0,2,0,0,0,0|2,0,0]=4 7231 B15R1.13264 COC(=O)C(C)Oc1c(occc1=O)C 34a_100000031901_100000211248 [0,2,0,0,0,0|2,0,0]=4 7232 B15R1.13264 COC(=O)C(C)Sc1c(cccc1Br)C 62a_100000211248_100010141302 [0,2,0,0,0,0|1,1,0]=4 7233 B15R1.13264 COC(=O)C(C)Sc1c(cccc1Br)C 62a_100010141302_100000211248 [0,2,0,0,0,0|1,1,0]=4 7234 B15R1.13264 COC(=O)C(C)Sc1c(cccc1C)C 62a_100000033847_100000211248 [0,2,0,0,0,0|0,1,0]=3 7235 B15R1.13264 COC(=O)C(C)Sc1c(cccc1C)C 62a_100000211248_100000033847 [0,2,0,0,0,0|0,1,0]=3 7236 B15R1.13264 COC(=O)C(C)Sc1c(cccc1Cl)C 62a_100000043165_100000211248 [0,2,0,0,0,0|1,1,0]=4 7237 B15R1.13264 COC(=O)C(C)Sc1c(cccc1Cl)C 62a_100000211248_100000043165 [0,2,0,0,0,0|1,1,0]=4 7238 B15R1.13264 COC(=O)C(C)Sc1c(cccc1F)C 62a_100000211248_100011218421 [0,2,0,0,0,0|1,1,0]=4 7239 B15R1.13264 COC(=O)C(C)Sc1c(cccc1F)C 62a_100011218421_100000211248 [0,2,0,0,0,0|1,1,0]=4 7240 B15R1.13264 COC(=O)C(C)Sc1c(cccc1N)C 62a_100000211248_100000684715 [0,2,0,0,0,0|1,1,0]=4 7241 B15R1.13264 COC(=O)C(C)Sc1c(cccc1N)C 62a_100000684715_100000211248 [0,2,0,0,0,0|1,1,0]=4 7242 B15R1.13264 COC(=O)C(C)Sc1c(cccc1O)C 62a_100000211248_100000686692 [0,2,0,0,0,0|1,1,0]=4 7243 B15R1.13264 COC(=O)C(C)Sc1c(cccc1O)C 62a_100000686692_100000211248 [0,2,0,0,0,0|1,1,0]=4 7244 B15R1.13264 COC(=O)C(C)Sc1c(ccnc1C)C 62a_100000211248_100012000501 [0,2,0,0,0,0|1,1,0]=4 7245 B15R1.13264 COC(=O)C(C)Sc1c(ccnc1C)C 62a_100012000501_100000211248 [0,2,0,0,0,0|1,1,0]=4 7246 B15R1.13264 COC(=O)C(C)Sc1c(cncc1C)C 62a_100000211248_100009817138 [0,2,0,0,0,0|1,1,0]=4 7247 B15R1.13264 COC(=O)C(C)Sc1c(cncc1C)C 62a_100009817138_100000211248 [0,2,0,0,0,0|1,1,0]=4 7248 B15R1.13479 CCC(Nc1c(cccc1C)C)C(=O)N 34a_100000185769_100000750255 [0,2,0,0,0,0|2,0,0]=4 7249 B15R1.13479 CCC(Oc1c(cccc1Br)C)C(=O)N 34a_100009817157_100000750255 [0,2,0,0,0,0|2,0,0]=4 7250 B15R1.13479 CCC(Oc1c(cccc1Br)C)C(=O)N 7a_100009817157_100000750255 [0,2,0,0,0,0|2,0,0]=4 7251 B15R1.13479 CCC(Oc1c(cccc1C)C)C(=O)N 34a_100000210341_100000750255 [0,2,0,0,0,0|1,0,0]=3 7252 B15R1.13479 CCC(Oc1c(cccc1C)C)C(=O)N 7a_100000210341_100000750255 [0,2,0,0,0,0|1,0,0]=3 7253 B15R1.13479 CCC(Oc1c(cccc1Cl)C)C(=O)N 34a_100000033731_100000750255 [0,2,0,0,0,0|2,0,0]=4 7254 B15R1.13479 CCC(Oc1c(cccc1Cl)C)C(=O)N 7a_100000033731_100000750255 [0,2,0,0,0,0|2,0,0]=4 7255 B15R1.13479 CCC(Oc1c(cccc1F)C)C(=O)N 34a_100011659162_100000750255 [0,2,0,0,0,0|2,0,0]=4 7256 B15R1.13479 CCC(Oc1c(cccc1F)C)C(=O)N 7a_100011659162_100000750255 [0,2,0,0,0,0|2,0,0]=4 7257 B15R1.13479 CCC(Oc1c(cccc1N)C)C(=O)N 34a_100000756359_100000750255 [0,2,0,0,0,0|2,0,0]=4 7258 B15R1.13479 CCC(Oc1c(cccc1N)C)C(=O)N 7a_100000756359_100000750255 [0,2,0,0,0,0|2,0,0]=4 7259 B15R1.13479 CCC(Oc1c(ccnc1C)C)C(=O)N 34a_100011934651_100000750255 [0,2,0,0,0,0|2,0,0]=4 7260 B15R1.13479 CCC(Oc1c(ccnc1C)C)C(=O)N 7a_100011934651_100000750255 [0,2,0,0,0,0|2,0,0]=4 7261 B15R1.13479 CCC(Sc1c(cccc1C)C)C(=O)N 62a_100000033847_100000750255 [0,2,0,0,0,0|1,1,0]=4 7262 B15R1.13479 CCC(Sc1c(cccc1C)C)C(=O)N 62a_100000750255_100000033847 [0,2,0,0,0,0|1,1,0]=4 7263 B15R1.25617 CC(=O)C(C)(C)Oc1c(cccc1Br)C 7a_100009817157_100000075568 [0,2,0,0,0,0|2,0,0]=4 7264 B15R1.25617 CC(=O)C(C)(C)Oc1c(cccc1C)C 7a_100000210341_100000075568 [0,2,0,0,0,0|1,0,0]=3 7265 B15R1.25617 CC(=O)C(C)(C)Oc1c(cccc1Cl)C 7a_100000033731_100000075568 [0,2,0,0,0,0|2,0,0]=4 7266 B15R1.25617 CC(=O)C(C)(C)Oc1c(cccc1F)C 7a_100011659162_100000075568 [0,2,0,0,0,0|2,0,0]=4 7267 B15R1.25617 CC(=O)C(C)(C)Oc1c(cccc1N)C 7a_100000756359_100000075568 [0,2,0,0,0,0|2,0,0]=4 7268 B15R1.25617 CC(=O)C(C)(C)Oc1c(ccnc1C)C 7a_100011934651_100000075568 [0,2,0,0,0,0|2,0,0]=4 7269 B15R1.25617 CC(=O)C(C)(C)Sc1c(cccc1C)C 62a_100000033847_100000075568 [0,2,0,0,0,0|1,1,0]=4 7270 B15R1.25617 CC(=O)C(C)(C)Sc1c(cccc1C)C 62a_100000075568_100000033847 [0,2,0,0,0,0|1,1,0]=4 7271 B15R1.25617 Cc1cccc(c1NC(C)(C)C(=O)N)C 34a_100000185769_100000702505 [0,2,0,0,0,0|2,0,0]=4 7272 B15R1.25617 Cc1cccc(c1NC(F)(F)C(=O)[O-])C 34a_100000185769_100020612412 [0,2,0,0,0,0|1,0,1]=4 7273 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)Br 34a_100009817157_100000702505 [0,2,0,0,0,0|2,0,0]=4 7274 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)Br 7a_100009817157_100000702505 [0,2,0,0,0,0|2,0,0]=4 7275 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)C 34a_100000210341_100000702505 [0,2,0,0,0,0|1,0,0]=3 7276 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)C 7a_100000210341_100000702505 [0,2,0,0,0,0|1,0,0]=3 7277 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)Cl 34a_100000033731_100000702505 [0,2,0,0,0,0|2,0,0]=4 7278 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)Cl 7a_100000033731_100000702505 [0,2,0,0,0,0|2,0,0]=4 7279 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)F 34a_100011659162_100000702505 [0,2,0,0,0,0|2,0,0]=4 7280 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)F 7a_100011659162_100000702505 [0,2,0,0,0,0|2,0,0]=4 7281 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)N 34a_100000756359_100000702505 [0,2,0,0,0,0|2,0,0]=4 7282 B15R1.25617 Cc1cccc(c1OC(C)(C)C(=O)N)N 7a_100000756359_100000702505 [0,2,0,0,0,0|2,0,0]=4 7283 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)N)Br 7a_100009817157_100009811971 [0,2,0,0,0,0|2,0,0]=4 7284 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)N)C 7a_100000210341_100009811971 [0,2,0,0,0,0|1,0,0]=3 7285 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)N)Cl 7a_100000033731_100009811971 [0,2,0,0,0,0|2,0,0]=4 7286 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)N)F 7a_100011659162_100009811971 [0,2,0,0,0,0|2,0,0]=4 7287 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)N)N 7a_100000756359_100009811971 [0,2,0,0,0,0|2,0,0]=4 7288 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)[O-])Br 34a_100009817157_100020612412 [0,2,0,0,0,0|1,0,1]=4 7289 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)[O-])C 34a_100000210341_100020612412 [0,2,0,0,0,0|0,0,1]=3 7290 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)[O-])Cl 34a_100000033731_100020612412 [0,2,0,0,0,0|1,0,1]=4 7291 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)[O-])F 34a_100011659162_100020612412 [0,2,0,0,0,0|1,0,1]=4 7292 B15R1.25617 Cc1cccc(c1OC(F)(F)C(=O)[O-])N 34a_100000756359_100020612412 [0,2,0,0,0,0|1,0,1]=4 7293 B15R1.25617 Cc1cccc(c1SC(C)(C)C(=O)N)C 62a_100000033847_100000702505 [0,2,0,0,0,0|1,1,0]=4 7294 B15R1.25617 Cc1cccc(c1SC(C)(C)C(=O)N)C 62a_100000702505_100000033847 [0,2,0,0,0,0|1,1,0]=4 7295 B15R1.25617 Cc1cccc(c1SC(F)(F)C(=O)N)C 62a_100000033847_100009811971 [0,2,0,0,0,0|1,1,0]=4 7296 B15R1.25617 Cc1cccc(c1SC(F)(F)C(=O)N)C 62a_100009811971_100000033847 [0,2,0,0,0,0|1,1,0]=4 7297 B15R1.25617 Cc1cccc(c1SC(F)(F)C(=O)[O-])C 62a_100000033847_100000745680 [0,2,0,0,0,0|0,1,1]=4 7298 B15R1.25617 Cc1cccc(c1SC(F)(F)C(=O)[O-])C 62a_100000745680_100000033847 [0,2,0,0,0,0|0,1,1]=4 7299 B15R1.25617 Cc1ccnc(c1OC(C)(C)C(=O)N)C 34a_100011934651_100000702505 [0,2,0,0,0,0|2,0,0]=4 7300 B15R1.25617 Cc1ccnc(c1OC(C)(C)C(=O)N)C 7a_100011934651_100000702505 [0,2,0,0,0,0|2,0,0]=4 7301 B15R1.25617 Cc1ccnc(c1OC(F)(F)C(=O)N)C 7a_100011934651_100009811971 [0,2,0,0,0,0|2,0,0]=4 7302 B15R1.25617 Cc1ccnc(c1OC(F)(F)C(=O)[O-])C 34a_100011934651_100020612412 [0,2,0,0,0,0|1,0,1]=4 7303 B15R1.1866 COc1ccc(c(c1C)NCC(=O)N)C 34a_100000089760_100000187820 [0,2,0,0,0,0|2,0,0]=4 7304 B15R1.1866 COc1ccc(c(c1C)NCC(=O)N)C 7a_100000089760_100000187820 [0,2,0,0,0,0|2,0,0]=4 7305 B15R1.1866 COc1ccc(c(c1C)NCC(=O)[O-])C 34a_100000089760_100020667443 [0,2,0,0,0,0|1,0,1]=4 7306 B15R1.1866 COc1ccc(c(c1C)SCC(=O)N)C 62a_100000747473_100016151084 [0,2,0,0,0,0|1,1,0]=4 7307 B15R1.1866 COc1ccc(c(c1C)SCC(=O)N)C 62a_100016151084_100000747473 [0,2,0,0,0,0|1,1,0]=4 7308 B15R1.1866 COc1ccc(c(c1C)SCC(=O)[O-])C 62a_100016151084_100020667443 [0,2,0,0,0,0|0,1,1]=4 7309 B15R1.1866 COc1ccc(c(c1C)SCC(=O)[O-])C 62a_100020667443_100016151084 [0,2,0,0,0,0|0,1,1]=4 7310 B15R1.1866 Cc1ncc(c(c1OCC(=O)N)C)CO 34a_100000006305_100000187820 [0,2,0,0,0,0|2,0,0]=4 7311 B15R1.1866 Cc1ncc(c(c1OCC(=O)N)C)CO 7a_100000006305_100000187820 [0,2,0,0,0,0|2,0,0]=4 7312 B15R1.1866 Cc1ncc(c(c1OCC(=O)[O-])C)CO 34a_100000006305_100020667443 [0,2,0,0,0,0|1,0,1]=4 7313 B15R1.12386 C=C(C#N)COc1c(ccc(c1C)C)C 34a_100000211305_100000694840 [0,2,0,0,0,0|2,0,0]=4 7314 B15R1.12386 C=CC(O)COc1c(ccc(c1C)C)C 34a_100000211305_100000730141 [0,2,0,0,0,0|1,0,1]=4 7315 B15R1.12386 C=CC(O)COc1c(ccc(c1C)C)C 7a_100000211305_100000730141 [0,2,0,0,0,0|1,0,1]=4 7316 B15R1.12386 CCC(=O)CNc1c(ccc(c1C)C)C 7a_100000117417_100000747405 [0,2,0,0,0,0|2,0,0]=4 7317 B15R1.12386 CCC(=O)COc1c(ccc(c1C)C)C 7a_100000211305_100000747405 [0,2,0,0,0,0|1,0,0]=3 7318 B15R1.12386 CCC(=O)COc1c(ccc(c1C)Cl)Br 7a_200010391122_100000747405 [0,2,0,0,0,0|2,0,0]=4 7319 B15R1.12386 CCC(=O)COc1c(ccc(c1C)F)Br 7a_200010391124_100000747405 [0,2,0,0,0,0|2,0,0]=4 7320 B15R1.12386 CCC(=O)COc1c(ccc(c1Cl)N)C 7a_100000036876_100000747405 [0,2,0,0,0,0|2,0,0]=4 7321 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)F)C 62a_100000747405_100011068659 [0,2,0,0,0,0|1,1,0]=4 7322 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)F)C 62a_100011068659_100000747405 [0,2,0,0,0,0|1,1,0]=4 7323 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)N)C 62a_100000747405_106354213274 [0,2,0,0,0,0|1,1,0]=4 7324 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)N)C 62a_106354213274_100000747405 [0,2,0,0,0,0|1,1,0]=4 7325 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)O)C 62a_100000747405_100010659238 [0,2,0,0,0,0|1,1,0]=4 7326 B15R1.12386 CCC(=O)CSc1c(ccc(c1C)O)C 62a_100010659238_100000747405 [0,2,0,0,0,0|1,1,0]=4 7327 B15R1.12386 CCC(O)COc1c(ccc(c1C)C)C 34a_100000211305_100011218378 [0,2,0,0,0,0|1,0,1]=4 7328 B15R1.12386 CCC(O)COc1c(ccc(c1C)C)C 7a_100000211305_100011218378 [0,2,0,0,0,0|1,0,1]=4 7329 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)Br)C 34a_200010074581_100000183359 [0,2,0,0,0,0|2,0,0]=4 7330 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)C)C 2230a_100000117417_100000183359 [0,2,0,0,0,0|2,0,0]=4 7331 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)C)C 34a_100000117417_100000183359 [0,2,0,0,0,0|2,0,0]=4 7332 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)C)C 7a_100000117417_100000183359 [0,2,0,0,0,0|2,0,0]=4 7333 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)Cl)C 2230a_200020642106_100000183359 [0,2,0,0,0,0|2,0,0]=4 7334 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)Cl)C 34a_200020642106_100000183359 [0,2,0,0,0,0|2,0,0]=4 7335 B15R1.12386 CNC(=O)CNc1c(ccc(c1C)I)C 34a_200010115591_100000183359 [0,2,0,0,0,0|2,0,0]=4 7336 B15R1.12386 CNC(=O)COc1c(ccc(c1C)C)C 34a_100000211305_100000183359 [0,2,0,0,0,0|1,0,0]=3 7337 B15R1.12386 CNC(=O)COc1c(ccc(c1C)C)C 7a_100000211305_100000183359 [0,2,0,0,0,0|1,0,0]=3 7338 B15R1.12386 CNC(=O)COc1c(ccc(c1C)Cl)Br 34a_200010391122_100000183359 [0,2,0,0,0,0|2,0,0]=4 7339 B15R1.12386 CNC(=O)COc1c(ccc(c1C)Cl)Br 7a_200010391122_100000183359 [0,2,0,0,0,0|2,0,0]=4 7340 B15R1.12386 CNC(=O)COc1c(ccc(c1C)F)Br 34a_200010391124_100000183359 [0,2,0,0,0,0|2,0,0]=4 7341 B15R1.12386 CNC(=O)COc1c(ccc(c1C)F)Br 7a_200010391124_100000183359 [0,2,0,0,0,0|2,0,0]=4 7342 B15R1.12386 CNC(=O)COc1c(ccc(c1Cl)N)C 34a_100000036876_100000183359 [0,2,0,0,0,0|2,0,0]=4 7343 B15R1.12386 CNC(=O)COc1c(ccc(c1Cl)N)C 7a_100000036876_100000183359 [0,2,0,0,0,0|2,0,0]=4 7344 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)F)C 62a_100000183359_100011068659 [0,2,0,0,0,0|1,1,0]=4 7345 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)F)C 62a_100011068659_100000183359 [0,2,0,0,0,0|1,1,0]=4 7346 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)N)C 62a_100000183359_106354213274 [0,2,0,0,0,0|1,1,0]=4 7347 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)N)C 62a_106354213274_100000183359 [0,2,0,0,0,0|1,1,0]=4 7348 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)O)C 62a_100000183359_100010659238 [0,2,0,0,0,0|1,1,0]=4 7349 B15R1.12386 CNC(=O)CSc1c(ccc(c1C)O)C 62a_100010659238_100000183359 [0,2,0,0,0,0|1,1,0]=4 7350 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Br)C 34a_200010074581_100000747449 [0,2,0,0,0,0|1,0,0]=3 7351 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Br)F 2230a_100010588651_100000747449 [0,2,0,0,0,0|2,0,0]=4 7352 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Br)F 34a_100010588651_100000747449 [0,2,0,0,0,0|2,0,0]=4 7353 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Br)O 34a_100013039247_100000747449 [0,2,0,0,0,0|2,0,0]=4 7354 B15R1.12386 COC(=O)CNc1c(ccc(c1C)C)C 2230a_100000117417_100000747449 [0,2,0,0,0,0|1,0,0]=3 7355 B15R1.12386 COC(=O)CNc1c(ccc(c1C)C)C 34a_100000117417_100000747449 [0,2,0,0,0,0|1,0,0]=3 7356 B15R1.12386 COC(=O)CNc1c(ccc(c1C)C)C 7a_100000117417_100000747449 [0,2,0,0,0,0|1,0,0]=3 7357 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Cl)C 2230a_200020642106_100000747449 [0,2,0,0,0,0|1,0,0]=3 7358 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Cl)C 34a_200020642106_100000747449 [0,2,0,0,0,0|1,0,0]=3 7359 B15R1.12386 COC(=O)CNc1c(ccc(c1C)Cl)Cl 34a_100009961198_100000747449 [0,2,0,0,0,0|2,0,0]=4 7360 B15R1.12386 COC(=O)CNc1c(ccc(c1C)F)Br 34a_100011009917_100000747449 [0,2,0,0,0,0|2,0,0]=4 7361 B15R1.12386 COC(=O)CNc1c(ccc(c1C)I)C 34a_200010115591_100000747449 [0,2,0,0,0,0|1,0,0]=3 7362 B15R1.12386 COC(=O)COc1c(ccc(c1Br)C)F 34a_200010223207_100000747449 [0,2,0,0,0,0|2,0,0]=4 7363 B15R1.12386 COC(=O)COc1c(ccc(c1Br)C)F 7a_200010223207_100000747449 [0,2,0,0,0,0|2,0,0]=4 7364 B15R1.12386 COC(=O)COc1c(ccc(c1Br)F)F 34a_100010170822_100000747449 [0,2,0,0,0,0|2,0,0]=4 7365 B15R1.12386 COC(=O)COc1c(ccc(c1Br)F)F 7a_100010170822_100000747449 [0,2,0,0,0,0|2,0,0]=4 7366 B15R1.12386 COC(=O)COc1c(ccc(c1Br)F)N 34a_100010128263_100000747449 [0,2,0,0,0,0|2,0,0]=4 7367 B15R1.12386 COC(=O)COc1c(ccc(c1Br)F)N 7a_100010128263_100000747449 [0,2,0,0,0,0|2,0,0]=4 7368 B15R1.12386 COC(=O)COc1c(ccc(c1C)C)C 34a_100000211305_100000747449 [0,2,0,0,0,0|0,0,0]=2 7369 B15R1.12386 COC(=O)COc1c(ccc(c1C)C)C 7a_100000211305_100000747449 [0,2,0,0,0,0|0,0,0]=2 7370 B15R1.12386 COC(=O)COc1c(ccc(c1C)Cl)Br 34a_200010391122_100000747449 [0,2,0,0,0,0|1,0,0]=3 7371 B15R1.12386 COC(=O)COc1c(ccc(c1C)Cl)Br 7a_200010391122_100000747449 [0,2,0,0,0,0|1,0,0]=3 7372 B15R1.12386 COC(=O)COc1c(ccc(c1C)F)Br 34a_200010391124_100000747449 [0,2,0,0,0,0|1,0,0]=3 7373 B15R1.12386 COC(=O)COc1c(ccc(c1C)F)Br 7a_200010391124_100000747449 [0,2,0,0,0,0|1,0,0]=3 7374 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100000747449 [0,2,0,0,0,0|2,0,0]=4 7375 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100000747449 [0,2,0,0,0,0|2,0,0]=4 7376 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)C)Cl 34a_200000087117_100000747449 [0,2,0,0,0,0|2,0,0]=4 7377 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)C)Cl 7a_200000087117_100000747449 [0,2,0,0,0,0|2,0,0]=4 7378 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)C)F 34a_100000035349_100000747449 [0,2,0,0,0,0|2,0,0]=4 7379 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)C)F 7a_100000035349_100000747449 [0,2,0,0,0,0|2,0,0]=4 7380 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100000747449 [0,2,0,0,0,0|2,0,0]=4 7381 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100000747449 [0,2,0,0,0,0|2,0,0]=4 7382 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Cl)F 34a_100000062035_100000747449 [0,2,0,0,0,0|2,0,0]=4 7383 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)Cl)F 7a_100000062035_100000747449 [0,2,0,0,0,0|2,0,0]=4 7384 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)F)Br 34a_100014979575_100000747449 [0,2,0,0,0,0|2,0,0]=4 7385 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)F)Br 7a_100014979575_100000747449 [0,2,0,0,0,0|2,0,0]=4 7386 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)F)F 34a_100000038336_100000747449 [0,2,0,0,0,0|2,0,0]=4 7387 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)F)F 7a_100000038336_100000747449 [0,2,0,0,0,0|2,0,0]=4 7388 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)N)C 34a_100000036876_100000747449 [0,2,0,0,0,0|1,0,0]=3 7389 B15R1.12386 COC(=O)COc1c(ccc(c1Cl)N)C 7a_100000036876_100000747449 [0,2,0,0,0,0|1,0,0]=3 7390 B15R1.12386 COC(=O)COc1c(ccc(c1F)Br)Cl 34a_100010240321_100000747449 [0,2,0,0,0,0|2,0,0]=4 7391 B15R1.12386 COC(=O)COc1c(ccc(c1F)Br)Cl 7a_100010240321_100000747449 [0,2,0,0,0,0|2,0,0]=4 7392 B15R1.12386 COC(=O)COc1c(ccc(c1F)Br)F 34a_100010167067_100000747449 [0,2,0,0,0,0|2,0,0]=4 7393 B15R1.12386 COC(=O)COc1c(ccc(c1F)Br)F 7a_100010167067_100000747449 [0,2,0,0,0,0|2,0,0]=4 7394 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)Br 34a_100000722096_100000747449 [0,2,0,0,0,0|2,0,0]=4 7395 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)Br 7a_100000722096_100000747449 [0,2,0,0,0,0|2,0,0]=4 7396 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)Cl 34a_200000034537_100000747449 [0,2,0,0,0,0|2,0,0]=4 7397 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)Cl 7a_200000034537_100000747449 [0,2,0,0,0,0|2,0,0]=4 7398 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)F 34a_100011216644_100000747449 [0,2,0,0,0,0|2,0,0]=4 7399 B15R1.12386 COC(=O)COc1c(ccc(c1F)C)F 7a_100011216644_100000747449 [0,2,0,0,0,0|2,0,0]=4 7400 B15R1.12386 COC(=O)COc1c(ccc(c1F)Cl)Br 34a_100010081130_100000747449 [0,2,0,0,0,0|2,0,0]=4 7401 B15R1.12386 COC(=O)COc1c(ccc(c1F)Cl)Br 7a_100010081130_100000747449 [0,2,0,0,0,0|2,0,0]=4 7402 B15R1.12386 COC(=O)COc1c(ccc(c1F)Cl)F 34a_100000034634_100000747449 [0,2,0,0,0,0|2,0,0]=4 7403 B15R1.12386 COC(=O)COc1c(ccc(c1F)Cl)F 7a_100000034634_100000747449 [0,2,0,0,0,0|2,0,0]=4 7404 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)Br 34a_100010243909_100000747449 [0,2,0,0,0,0|2,0,0]=4 7405 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)Br 7a_100010243909_100000747449 [0,2,0,0,0,0|2,0,0]=4 7406 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)F 34a_100000031686_100000747449 [0,2,0,0,0,0|2,0,0]=4 7407 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)F 7a_100000031686_100000747449 [0,2,0,0,0,0|2,0,0]=4 7408 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)N 34a_100015205010_100000747449 [0,2,0,0,0,0|2,0,0]=4 7409 B15R1.12386 COC(=O)COc1c(ccc(c1F)F)N 7a_100015205010_100000747449 [0,2,0,0,0,0|2,0,0]=4 7410 B15R1.12386 COC(=O)COc1c(ccc(c1F)I)Br 34a_200010782288_100000747449 [0,2,0,0,0,0|2,0,0]=4 7411 B15R1.12386 COC(=O)COc1c(ccc(c1F)I)Br 7a_200010782288_100000747449 [0,2,0,0,0,0|2,0,0]=4 7412 B15R1.12386 COC(=O)COc1c(n(ccc1=O)C)C 34a_100000032683_100000747449 [0,2,0,0,0,0|2,0,0]=4 7413 B15R1.12386 COC(=O)COc1c(n(ccc1=O)C)C 7a_100000032683_100000747449 [0,2,0,0,0,0|2,0,0]=4 7414 B15R1.12386 COC(=O)CSc1c(ccc(c1C)F)C 62a_100000747449_100011068659 [0,2,0,0,0,0|0,1,0]=3 7415 B15R1.12386 COC(=O)CSc1c(ccc(c1C)F)C 62a_100011068659_100000747449 [0,2,0,0,0,0|0,1,0]=3 7416 B15R1.12386 COC(=O)CSc1c(ccc(c1C)F)F 62a_100000747449_100010167959 [0,2,0,0,0,0|1,1,0]=4 7417 B15R1.12386 COC(=O)CSc1c(ccc(c1C)F)F 62a_100010167959_100000747449 [0,2,0,0,0,0|1,1,0]=4 7418 B15R1.12386 COC(=O)CSc1c(ccc(c1C)N)C 62a_100000747449_106354213274 [0,2,0,0,0,0|0,1,0]=3 7419 B15R1.12386 COC(=O)CSc1c(ccc(c1C)N)C 62a_106354213274_100000747449 [0,2,0,0,0,0|0,1,0]=3 7420 B15R1.12386 COC(=O)CSc1c(ccc(c1C)O)C 62a_100000747449_100010659238 [0,2,0,0,0,0|0,1,0]=3 7421 B15R1.12386 COC(=O)CSc1c(ccc(c1C)O)C 62a_100010659238_100000747449 [0,2,0,0,0,0|0,1,0]=3 7422 B15R1.12386 COC(=O)CSc1c(ccc(c1O)F)C 62a_100000747449_200010223207 [0,2,0,0,0,0|1,1,0]=4 7423 B15R1.12386 COC(=O)CSc1c(ccc(c1O)F)C 62a_200010223207_100000747449 [0,2,0,0,0,0|1,1,0]=4 7424 B15R1.12386 COC(=O)CSc1c(cnc(c1C)F)C 62a_100000747449_100011016222 [0,2,0,0,0,0|1,1,0]=4 7425 B15R1.12386 COC(=O)CSc1c(cnc(c1C)F)C 62a_100011016222_100000747449 [0,2,0,0,0,0|1,1,0]=4 7426 B15R1.12386 COC(=O)CSc1c(ncc(c1C)N)C 62a_100000747449_100012352430 [0,2,0,0,0,0|1,1,0]=4 7427 B15R1.12386 COC(=O)CSc1c(ncc(c1C)N)C 62a_100012352430_100000747449 [0,2,0,0,0,0|1,1,0]=4 7428 B15R1.12386 Cc1ccc(c(c1C)OCC(O)CO)C 34a_100000211305_100011219619 [0,2,0,0,0,0|0,0,2]=4 7429 B15R1.12386 Cc1ccc(c(c1C)OCC(O)CO)C 7a_100000211305_100011219619 [0,2,0,0,0,0|0,0,2]=4 7430 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](C)CO)C 34a_100000211305_100000059175 [0,2,0,0,0,0|1,0,1]=4 7431 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](C)CO)C 7a_100000211305_100000059175 [0,2,0,0,0,0|1,0,1]=4 7432 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](O)CF)C 34a_100000211305_100015614560 [0,2,0,0,0,0|1,0,1]=4 7433 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](O)CF)C 7a_100000211305_100015614560 [0,2,0,0,0,0|1,0,1]=4 7434 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](O)CO)C 34a_100000211305_100009815848 [0,2,0,0,0,0|0,0,2]=4 7435 B15R1.12386 Cc1ccc(c(c1C)OC[C@@H](O)CO)C 7a_100000211305_100009815848 [0,2,0,0,0,0|0,0,2]=4 7436 B15R1.15580 Cc1cc(c(c(c1C)NCC(=O)N)C)C 2230a_100020670348_100000747473 [0,2,0,0,0,0|2,0,0]=4 7437 B15R1.15580 Cc1cc(c(c(c1C)NCC(=O)N)C)C 34a_100020670348_100000187820 [0,2,0,0,0,0|2,0,0]=4 7438 B15R1.15580 Cc1cc(c(c(c1C)NCC(=O)N)C)C 7a_100020670348_100000187820 [0,2,0,0,0,0|2,0,0]=4 7439 B15R1.15580 Cc1cc(c(c(c1C)NCC(=O)[O-])C)C 34a_100020670348_100020667443 [0,2,0,0,0,0|1,0,1]=4 7440 B15R1.15580 Cc1cc(c(c(c1C)SCC(=O)N)C)C 62a_100000747473_100011215432 [0,2,0,0,0,0|1,1,0]=4 7441 B15R1.15580 Cc1cc(c(c(c1C)SCC(=O)N)C)C 62a_100011215432_100000747473 [0,2,0,0,0,0|1,1,0]=4 7442 B15R1.15580 Cc1cc(c(c(c1C)SCC(=O)[O-])C)C 62a_100011215432_100020667443 [0,2,0,0,0,0|0,1,1]=4 7443 B15R1.15580 Cc1cc(c(c(c1C)SCC(=O)[O-])C)C 62a_100020667443_100011215432 [0,2,0,0,0,0|0,1,1]=4 7444 B15R1.30116 COC(COc1c(cccc1C)C)OC 34a_100000210341_100000211822 [0,2,0,0,0,0|0,0,2]=4 7445 B15R1.30116 COC(COc1c(cccc1C)C)OC 7a_100000210341_100000751394 [0,2,0,0,0,0|0,0,2]=4 7446 B15R1.36731 C#CCC(=O)CCc1c(cccc1C)C 1458a_200011998103_100000184674 [0,2,0,0,0,0|2,0,0]=4 7447 B15R1.36731 C#CCC(=O)COc1c(cccc1C)C 1458a_100000184085_100000184674 [0,2,0,0,0,0|1,0,0]=3 7448 B15R1.36731 C=CCC(=O)CCc1c(cccc1C)C 1458a_200011998103_100000210623 [0,2,0,0,0,0|2,0,0]=4 7449 B15R1.36731 C=CCC(=O)COc1c(cccc1C)C 1458a_100000184085_100000210623 [0,2,0,0,0,0|1,0,0]=3 7450 B15R1.36731 C=COC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000036128 [0,2,0,0,0,0|2,0,0]=4 7451 B15R1.36731 C=COC(=O)CNc1c(cccc1C)C 34a_100000185769_100000036128 [0,2,0,0,0,0|1,0,0]=3 7452 B15R1.36731 C=COC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000036128 [0,2,0,0,0,0|2,0,0]=4 7453 B15R1.36731 C=COC(=O)CNc1c(cccc1F)C 34a_100000766463_100000036128 [0,2,0,0,0,0|2,0,0]=4 7454 B15R1.36731 C=COC(=O)CNc1c(cccc1O)C 34a_100000743429_100000036128 [0,2,0,0,0,0|2,0,0]=4 7455 B15R1.36731 C=COC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000036128 [0,2,0,0,0,0|2,0,0]=4 7456 B15R1.36731 C=COC(=O)COc1c(cccc1Br)C 34a_100009817157_100000036128 [0,2,0,0,0,0|1,0,0]=3 7457 B15R1.36731 C=COC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000036128 [0,2,0,0,0,0|2,0,0]=4 7458 B15R1.36731 C=COC(=O)COc1c(cccc1Br)F 34a_100009813666_100000036128 [0,2,0,0,0,0|2,0,0]=4 7459 B15R1.36731 C=COC(=O)COc1c(cccc1Br)N 34a_100011934915_100000036128 [0,2,0,0,0,0|2,0,0]=4 7460 B15R1.36731 C=COC(=O)COc1c(cccc1C)C 34a_100000210341_100000036128 [0,2,0,0,0,0|0,0,0]=2 7461 B15R1.36731 C=COC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000036128 [0,2,0,0,0,0|1,0,0]=3 7462 B15R1.36731 C=COC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000036128 [0,2,0,0,0,0|2,0,0]=4 7463 B15R1.36731 C=COC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000036128 [0,2,0,0,0,0|2,0,0]=4 7464 B15R1.36731 C=COC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000036128 [0,2,0,0,0,0|2,0,0]=4 7465 B15R1.36731 C=COC(=O)COc1c(cccc1F)C 34a_100011659162_100000036128 [0,2,0,0,0,0|1,0,0]=3 7466 B15R1.36731 C=COC(=O)COc1c(cccc1F)F 34a_100000230165_100000036128 [0,2,0,0,0,0|2,0,0]=4 7467 B15R1.36731 C=COC(=O)COc1c(cccc1F)N 34a_100011934987_100000036128 [0,2,0,0,0,0|2,0,0]=4 7468 B15R1.36731 C=COC(=O)COc1c(cccc1I)Br 34a_100010084509_100000036128 [0,2,0,0,0,0|2,0,0]=4 7469 B15R1.36731 C=COC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000036128 [0,2,0,0,0,0|2,0,0]=4 7470 B15R1.36731 C=COC(=O)COc1c(cccc1I)F 34a_100010186298_100000036128 [0,2,0,0,0,0|2,0,0]=4 7471 B15R1.36731 C=COC(=O)COc1c(cccc1I)N 34a_100010084371_100000036128 [0,2,0,0,0,0|2,0,0]=4 7472 B15R1.36731 C=COC(=O)COc1c(cccc1N)C 34a_100000756359_100000036128 [0,2,0,0,0,0|1,0,0]=3 7473 B15R1.36731 C=COC(=O)COc1c(cccc1N)N 34a_200016994477_100000036128 [0,2,0,0,0,0|2,0,0]=4 7474 B15R1.36731 C=COC(=O)COc1c(ccnc1C)C 34a_100011934651_100000036128 [0,2,0,0,0,0|1,0,0]=3 7475 B15R1.36731 C=COC(=O)COc1c(ccnc1Cl)C 34a_100000696282_100000036128 [0,2,0,0,0,0|2,0,0]=4 7476 B15R1.36731 C=COC(=O)COc1c(ncnc1C)C 34a_100009878406_100000036128 [0,2,0,0,0,0|2,0,0]=4 7477 B15R1.36731 C=COC(=O)COc1c(occc1=O)C 34a_100000031901_100000036128 [0,2,0,0,0,0|2,0,0]=4 7478 B15R1.36731 C=COC(=O)CSc1c(cccc1Br)C 62a_100000036128_100010141302 [0,2,0,0,0,0|1,1,0]=4 7479 B15R1.36731 C=COC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000036128 [0,2,0,0,0,0|1,1,0]=4 7480 B15R1.36731 C=COC(=O)CSc1c(cccc1C)C 62a_100000033847_100000036128 [0,2,0,0,0,0|0,1,0]=3 7481 B15R1.36731 C=COC(=O)CSc1c(cccc1C)C 62a_100000036128_100000033847 [0,2,0,0,0,0|0,1,0]=3 7482 B15R1.36731 C=COC(=O)CSc1c(cccc1Cl)C 62a_100000036128_100000043165 [0,2,0,0,0,0|1,1,0]=4 7483 B15R1.36731 C=COC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000036128 [0,2,0,0,0,0|1,1,0]=4 7484 B15R1.36731 C=COC(=O)CSc1c(cccc1F)C 62a_100000036128_100011218421 [0,2,0,0,0,0|1,1,0]=4 7485 B15R1.36731 C=COC(=O)CSc1c(cccc1F)C 62a_100011218421_100000036128 [0,2,0,0,0,0|1,1,0]=4 7486 B15R1.36731 C=COC(=O)CSc1c(cccc1N)C 62a_100000036128_100000684715 [0,2,0,0,0,0|1,1,0]=4 7487 B15R1.36731 C=COC(=O)CSc1c(cccc1N)C 62a_100000684715_100000036128 [0,2,0,0,0,0|1,1,0]=4 7488 B15R1.36731 C=COC(=O)CSc1c(cccc1O)C 62a_100000036128_100000686692 [0,2,0,0,0,0|1,1,0]=4 7489 B15R1.36731 C=COC(=O)CSc1c(cccc1O)C 62a_100000686692_100000036128 [0,2,0,0,0,0|1,1,0]=4 7490 B15R1.36731 C=COC(=O)CSc1c(ccnc1C)C 62a_100000036128_100012000501 [0,2,0,0,0,0|1,1,0]=4 7491 B15R1.36731 C=COC(=O)CSc1c(ccnc1C)C 62a_100012000501_100000036128 [0,2,0,0,0,0|1,1,0]=4 7492 B15R1.36731 C=COC(=O)CSc1c(cncc1C)C 62a_100000036128_100009817138 [0,2,0,0,0,0|1,1,0]=4 7493 B15R1.36731 C=COC(=O)CSc1c(cncc1C)C 62a_100009817138_100000036128 [0,2,0,0,0,0|1,1,0]=4 7494 B15R1.36731 CCCC(=O)CCc1c(cccc1C)C 1458a_200011998103_100000210303 [0,2,0,0,0,0|2,0,0]=4 7495 B15R1.36731 CCCC(=O)COc1c(cccc1Br)C 7a_100009817157_100000747444 [0,2,0,0,0,0|2,0,0]=4 7496 B15R1.36731 CCCC(=O)COc1c(cccc1C)C 1458a_100000184085_100000210303 [0,2,0,0,0,0|1,0,0]=3 7497 B15R1.36731 CCCC(=O)COc1c(cccc1C)C 7a_100000210341_100000747444 [0,2,0,0,0,0|1,0,0]=3 7498 B15R1.36731 CCCC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000747444 [0,2,0,0,0,0|2,0,0]=4 7499 B15R1.36731 CCCC(=O)COc1c(cccc1F)C 7a_100011659162_100000747444 [0,2,0,0,0,0|2,0,0]=4 7500 B15R1.36731 CCCC(=O)COc1c(cccc1N)C 7a_100000756359_100000747444 [0,2,0,0,0,0|2,0,0]=4 7501 B15R1.36731 CCCC(=O)COc1c(ccnc1C)C 7a_100011934651_100000747444 [0,2,0,0,0,0|2,0,0]=4 7502 B15R1.36731 CCCC(=O)CSc1c(cccc1C)C 62a_100000033847_100000747444 [0,2,0,0,0,0|1,1,0]=4 7503 B15R1.36731 CCCC(=O)CSc1c(cccc1C)C 62a_100000747444_100000033847 [0,2,0,0,0,0|1,1,0]=4 7504 B15R1.36731 CCNC(=O)CCc1c(cccc1C)C 11a_100015525214_200011998103 [0,2,0,0,0,0|2,0,0]=4 7505 B15R1.36731 CCNC(=O)CCc1c(cccc1C)C 240690a_100015525214_200011998103 [0,2,0,0,0,0|2,0,0]=4 7506 B15R1.36731 CCNC(=O)CCc1c(cccc1C)C 527a_100015525214_200011998103 [0,2,0,0,0,0|2,0,0]=4 7507 B15R1.36731 CCNC(=O)CNc1c(cccc1C)C 34a_100000185769_100000183381 [0,2,0,0,0,0|2,0,0]=4 7508 B15R1.36731 CCNC(=O)COc1c(cccc1Br)C 34a_100009817157_100000183381 [0,2,0,0,0,0|2,0,0]=4 7509 B15R1.36731 CCNC(=O)COc1c(cccc1Br)C 7a_100009817157_100000183381 [0,2,0,0,0,0|2,0,0]=4 7510 B15R1.36731 CCNC(=O)COc1c(cccc1C)C 11a_100015525214_100000184085 [0,2,0,0,0,0|1,0,0]=3 7511 B15R1.36731 CCNC(=O)COc1c(cccc1C)C 240690a_100015525214_100000184085 [0,2,0,0,0,0|1,0,0]=3 7512 B15R1.36731 CCNC(=O)COc1c(cccc1C)C 34a_100000210341_100000183381 [0,2,0,0,0,0|1,0,0]=3 7513 B15R1.36731 CCNC(=O)COc1c(cccc1C)C 527a_100015525214_100000184085 [0,2,0,0,0,0|1,0,0]=3 7514 B15R1.36731 CCNC(=O)COc1c(cccc1C)C 7a_100000210341_100000183381 [0,2,0,0,0,0|1,0,0]=3 7515 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000183381 [0,2,0,0,0,0|2,0,0]=4 7516 B15R1.36731 CCNC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000183381 [0,2,0,0,0,0|2,0,0]=4 7517 B15R1.36731 CCNC(=O)COc1c(cccc1F)C 34a_100011659162_100000183381 [0,2,0,0,0,0|2,0,0]=4 7518 B15R1.36731 CCNC(=O)COc1c(cccc1F)C 7a_100011659162_100000183381 [0,2,0,0,0,0|2,0,0]=4 7519 B15R1.36731 CCNC(=O)COc1c(cccc1N)C 34a_100000756359_100000183381 [0,2,0,0,0,0|2,0,0]=4 7520 B15R1.36731 CCNC(=O)COc1c(cccc1N)C 7a_100000756359_100000183381 [0,2,0,0,0,0|2,0,0]=4 7521 B15R1.36731 CCNC(=O)COc1c(ccnc1C)C 34a_100011934651_100000183381 [0,2,0,0,0,0|2,0,0]=4 7522 B15R1.36731 CCNC(=O)COc1c(ccnc1C)C 7a_100011934651_100000183381 [0,2,0,0,0,0|2,0,0]=4 7523 B15R1.36731 CCNC(=O)CSc1c(cccc1C)C 62a_100000033847_100000183381 [0,2,0,0,0,0|1,1,0]=4 7524 B15R1.36731 CCNC(=O)CSc1c(cccc1C)C 62a_100000183381_100000033847 [0,2,0,0,0,0|1,1,0]=4 7525 B15R1.36731 CCOC(=O)C=Cc1c(cccc1C)C 271570a_100010199719_100000033847 [0,2,0,0,0,0|1,0,1]=4 7526 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000188475 [0,2,0,0,0,0|2,0,0]=4 7527 B15R1.36731 CCOC(=O)CNc1c(cccc1C)C 34a_100000185769_100000188475 [0,2,0,0,0,0|1,0,0]=3 7528 B15R1.36731 CCOC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000188475 [0,2,0,0,0,0|2,0,0]=4 7529 B15R1.36731 CCOC(=O)CNc1c(cccc1F)C 34a_100000766463_100000188475 [0,2,0,0,0,0|2,0,0]=4 7530 B15R1.36731 CCOC(=O)CNc1c(cccc1O)C 34a_100000743429_100000188475 [0,2,0,0,0,0|2,0,0]=4 7531 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000188475 [0,2,0,0,0,0|2,0,0]=4 7532 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000188475 [0,2,0,0,0,0|2,0,0]=4 7533 B15R1.36731 CCOC(=O)COc1c(cccc1Br)C 34a_100009817157_100000188475 [0,2,0,0,0,0|1,0,0]=3 7534 B15R1.36731 CCOC(=O)COc1c(cccc1Br)C 7a_100009817157_100000188475 [0,2,0,0,0,0|1,0,0]=3 7535 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000188475 [0,2,0,0,0,0|2,0,0]=4 7536 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000188475 [0,2,0,0,0,0|2,0,0]=4 7537 B15R1.36731 CCOC(=O)COc1c(cccc1Br)F 34a_100009813666_100000188475 [0,2,0,0,0,0|2,0,0]=4 7538 B15R1.36731 CCOC(=O)COc1c(cccc1Br)F 7a_100009813666_100000188475 [0,2,0,0,0,0|2,0,0]=4 7539 B15R1.36731 CCOC(=O)COc1c(cccc1Br)N 34a_100011934915_100000188475 [0,2,0,0,0,0|2,0,0]=4 7540 B15R1.36731 CCOC(=O)COc1c(cccc1C)C 34a_100000210341_100000188475 [0,2,0,0,0,0|0,0,0]=2 7541 B15R1.36731 CCOC(=O)COc1c(cccc1C)C 7a_100000210341_100000188475 [0,2,0,0,0,0|0,0,0]=2 7542 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000188475 [0,2,0,0,0,0|1,0,0]=3 7543 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000188475 [0,2,0,0,0,0|1,0,0]=3 7544 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000188475 [0,2,0,0,0,0|2,0,0]=4 7545 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000188475 [0,2,0,0,0,0|2,0,0]=4 7546 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000188475 [0,2,0,0,0,0|2,0,0]=4 7547 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000188475 [0,2,0,0,0,0|2,0,0]=4 7548 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000188475 [0,2,0,0,0,0|2,0,0]=4 7549 B15R1.36731 CCOC(=O)COc1c(cccc1F)C 34a_100011659162_100000188475 [0,2,0,0,0,0|1,0,0]=3 7550 B15R1.36731 CCOC(=O)COc1c(cccc1F)C 7a_100011659162_100000188475 [0,2,0,0,0,0|1,0,0]=3 7551 B15R1.36731 CCOC(=O)COc1c(cccc1F)F 34a_100000230165_100000188475 [0,2,0,0,0,0|2,0,0]=4 7552 B15R1.36731 CCOC(=O)COc1c(cccc1F)F 7a_100000230165_100000188475 [0,2,0,0,0,0|2,0,0]=4 7553 B15R1.36731 CCOC(=O)COc1c(cccc1F)N 34a_100011934987_100000188475 [0,2,0,0,0,0|2,0,0]=4 7554 B15R1.36731 CCOC(=O)COc1c(cccc1I)Br 34a_100010084509_100000188475 [0,2,0,0,0,0|2,0,0]=4 7555 B15R1.36731 CCOC(=O)COc1c(cccc1I)Br 7a_100010084509_100000188475 [0,2,0,0,0,0|2,0,0]=4 7556 B15R1.36731 CCOC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000188475 [0,2,0,0,0,0|2,0,0]=4 7557 B15R1.36731 CCOC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000188475 [0,2,0,0,0,0|2,0,0]=4 7558 B15R1.36731 CCOC(=O)COc1c(cccc1I)F 34a_100010186298_100000188475 [0,2,0,0,0,0|2,0,0]=4 7559 B15R1.36731 CCOC(=O)COc1c(cccc1I)F 7a_100010186298_100000188475 [0,2,0,0,0,0|2,0,0]=4 7560 B15R1.36731 CCOC(=O)COc1c(cccc1I)N 34a_100010084371_100000188475 [0,2,0,0,0,0|2,0,0]=4 7561 B15R1.36731 CCOC(=O)COc1c(cccc1N)C 34a_100000756359_100000188475 [0,2,0,0,0,0|1,0,0]=3 7562 B15R1.36731 CCOC(=O)COc1c(cccc1N)C 7a_100000756359_100000188475 [0,2,0,0,0,0|1,0,0]=3 7563 B15R1.36731 CCOC(=O)COc1c(cccc1N)N 34a_200016994477_100000188475 [0,2,0,0,0,0|2,0,0]=4 7564 B15R1.36731 CCOC(=O)COc1c(ccnc1C)C 34a_100011934651_100000188475 [0,2,0,0,0,0|1,0,0]=3 7565 B15R1.36731 CCOC(=O)COc1c(ccnc1C)C 7a_100011934651_100000188475 [0,2,0,0,0,0|1,0,0]=3 7566 B15R1.36731 CCOC(=O)COc1c(ccnc1Cl)C 34a_100000696282_100000188475 [0,2,0,0,0,0|2,0,0]=4 7567 B15R1.36731 CCOC(=O)COc1c(ccnc1Cl)C 7a_100000696282_100000188475 [0,2,0,0,0,0|2,0,0]=4 7568 B15R1.36731 CCOC(=O)COc1c(ncnc1C)C 34a_100009878406_100000188475 [0,2,0,0,0,0|2,0,0]=4 7569 B15R1.36731 CCOC(=O)COc1c(ncnc1C)C 7a_100009878406_100000188475 [0,2,0,0,0,0|2,0,0]=4 7570 B15R1.36731 CCOC(=O)COc1c(occc1=O)C 34a_100000031901_100000188475 [0,2,0,0,0,0|2,0,0]=4 7571 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)C 62a_100000188475_100010141302 [0,2,0,0,0,0|1,1,0]=4 7572 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000188475 [0,2,0,0,0,0|1,1,0]=4 7573 B15R1.36731 CCOC(=O)CSc1c(cccc1C)C 62a_100000033847_100000188475 [0,2,0,0,0,0|0,1,0]=3 7574 B15R1.36731 CCOC(=O)CSc1c(cccc1C)C 62a_100000188475_100000033847 [0,2,0,0,0,0|0,1,0]=3 7575 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000188475 [0,2,0,0,0,0|1,1,0]=4 7576 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)C 62a_100000188475_100000043165 [0,2,0,0,0,0|1,1,0]=4 7577 B15R1.36731 CCOC(=O)CSc1c(cccc1F)C 62a_100000188475_100011218421 [0,2,0,0,0,0|1,1,0]=4 7578 B15R1.36731 CCOC(=O)CSc1c(cccc1F)C 62a_100011218421_100000188475 [0,2,0,0,0,0|1,1,0]=4 7579 B15R1.36731 CCOC(=O)CSc1c(cccc1N)C 62a_100000188475_100000684715 [0,2,0,0,0,0|1,1,0]=4 7580 B15R1.36731 CCOC(=O)CSc1c(cccc1N)C 62a_100000684715_100000188475 [0,2,0,0,0,0|1,1,0]=4 7581 B15R1.36731 CCOC(=O)CSc1c(cccc1O)C 62a_100000188475_100000686692 [0,2,0,0,0,0|1,1,0]=4 7582 B15R1.36731 CCOC(=O)CSc1c(cccc1O)C 62a_100000686692_100000188475 [0,2,0,0,0,0|1,1,0]=4 7583 B15R1.36731 CCOC(=O)CSc1c(ccnc1C)C 62a_100000188475_100012000501 [0,2,0,0,0,0|1,1,0]=4 7584 B15R1.36731 CCOC(=O)CSc1c(ccnc1C)C 62a_100012000501_100000188475 [0,2,0,0,0,0|1,1,0]=4 7585 B15R1.36731 CCOC(=O)CSc1c(cncc1C)C 62a_100000188475_100009817138 [0,2,0,0,0,0|1,1,0]=4 7586 B15R1.36731 CCOC(=O)CSc1c(cncc1C)C 62a_100009817138_100000188475 [0,2,0,0,0,0|1,1,0]=4 7587 B15R1.36731 CNNC(=O)CCc1c(cccc1C)C 22a_100016993582_200011998103 [0,2,0,0,0,0|2,0,0]=4 7588 B15R1.36731 CNNC(=O)COc1c(cccc1C)C 22a_100016993582_100000184085 [0,2,0,0,0,0|1,0,0]=3 7589 B15R1.36731 COCC(=O)NCc1c(cccc1C)C 11a_100000689800_100000210968 [0,2,0,0,0,0|2,0,0]=4 7590 B15R1.36731 COCC(=O)NCc1c(cccc1C)C 1626a_100000689800_100000210968 [0,2,0,0,0,0|2,0,0]=4 7591 B15R1.36731 COCC(=O)NCc1c(cccc1C)C 240690a_100000689800_100000210968 [0,2,0,0,0,0|2,0,0]=4 7592 B15R1.36731 COCC(=O)NCc1c(cccc1C)C 527a_100000689800_100000210968 [0,2,0,0,0,0|2,0,0]=4 7593 B15R1.36731 COCC(=O)NNc1c(cccc1C)C 22a_100016987787_100000210968 [0,2,0,0,0,0|2,0,0]=4 7594 B15R1.36731 COCC(O)COc1c(cccc1C)C 34a_100000210341_100011215053 [0,2,0,0,0,0|0,0,2]=4 7595 B15R1.36731 COCC(O)COc1c(cccc1C)C 7a_100000210341_100011215053 [0,2,0,0,0,0|0,0,2]=4 7596 B15R1.36731 Cc1cccc(c1CCC(=O)CC#N)C 1458a_200011998103_100011214920 [0,2,0,0,0,0|2,0,0]=4 7597 B15R1.36731 Cc1cccc(c1CCC(=O)CCF)C 1458a_200011998103_100011217306 [0,2,0,0,0,0|2,0,0]=4 7598 B15R1.36731 Cc1cccc(c1CCC(=O)CCO)C 1458a_200011998103_100000211926 [0,2,0,0,0,0|1,0,0]=3 7599 B15R1.36731 Cc1cccc(c1CNC(=O)CCO)C 240690a_100000689800_100011216618 [0,2,0,0,0,0|2,0,0]=4 7600 B15R1.36731 Cc1cccc(c1NCC(=O)NCO)Br 34a_100011834072_100000185155 [0,2,0,0,0,0|2,0,0]=4 7601 B15R1.36731 Cc1cccc(c1NCC(=O)NCO)C 34a_100000185769_100000185155 [0,2,0,0,0,0|1,0,0]=3 7602 B15R1.36731 Cc1cccc(c1NCC(=O)NCO)Cl 34a_100000756524_100000185155 [0,2,0,0,0,0|2,0,0]=4 7603 B15R1.36731 Cc1cccc(c1NCC(=O)NCO)F 34a_100000766463_100000185155 [0,2,0,0,0,0|2,0,0]=4 7604 B15R1.36731 Cc1cccc(c1NCC(=O)NCO)O 34a_100000743429_100000185155 [0,2,0,0,0,0|2,0,0]=4 7605 B15R1.36731 Cc1cccc(c1NNC(=O)CCO)C 22a_100016987787_100011216618 [0,2,0,0,0,0|2,0,0]=4 7606 B15R1.36731 Cc1cccc(c1OCC(=O)CC#N)C 1458a_100000184085_100011214920 [0,2,0,0,0,0|1,0,0]=3 7607 B15R1.36731 Cc1cccc(c1OCC(=O)CCF)C 1458a_100000184085_100011217306 [0,2,0,0,0,0|1,0,0]=3 7608 B15R1.36731 Cc1cccc(c1OCC(=O)CCO)C 1458a_100000184085_100000211926 [0,2,0,0,0,0|0,0,0]=2 7609 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)Br 34a_100009817157_100000185155 [0,2,0,0,0,0|1,0,0]=3 7610 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)Br 7a_100009817157_100000185155 [0,2,0,0,0,0|1,0,0]=3 7611 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)C 34a_100000210341_100000185155 [0,2,0,0,0,0|0,0,0]=2 7612 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)C 7a_100000210341_100000185155 [0,2,0,0,0,0|0,0,0]=2 7613 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)Cl 34a_100000033731_100000185155 [0,2,0,0,0,0|1,0,0]=3 7614 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)Cl 7a_100000033731_100000185155 [0,2,0,0,0,0|1,0,0]=3 7615 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)F 34a_100011659162_100000185155 [0,2,0,0,0,0|1,0,0]=3 7616 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)F 7a_100011659162_100000185155 [0,2,0,0,0,0|1,0,0]=3 7617 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)N 34a_100000756359_100000185155 [0,2,0,0,0,0|1,0,0]=3 7618 B15R1.36731 Cc1cccc(c1OCC(=O)NCO)N 7a_100000756359_100000185155 [0,2,0,0,0,0|1,0,0]=3 7619 B15R1.36731 Cc1cccc(c1OC[C@@H](O)CC#N)C 7a_100000210341_100000001066 [0,2,0,0,0,0|1,0,1]=4 7620 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)Br 62a_100000185155_100010141302 [0,2,0,0,0,0|1,1,0]=4 7621 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)Br 62a_100010141302_100000185155 [0,2,0,0,0,0|1,1,0]=4 7622 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)C 62a_100000033847_100000185155 [0,2,0,0,0,0|0,1,0]=3 7623 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)C 62a_100000185155_100000033847 [0,2,0,0,0,0|0,1,0]=3 7624 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)Cl 62a_100000043165_100000185155 [0,2,0,0,0,0|1,1,0]=4 7625 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)Cl 62a_100000185155_100000043165 [0,2,0,0,0,0|1,1,0]=4 7626 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)F 62a_100000185155_100011218421 [0,2,0,0,0,0|1,1,0]=4 7627 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)F 62a_100011218421_100000185155 [0,2,0,0,0,0|1,1,0]=4 7628 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)N 62a_100000185155_100000684715 [0,2,0,0,0,0|1,1,0]=4 7629 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)N 62a_100000684715_100000185155 [0,2,0,0,0,0|1,1,0]=4 7630 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)O 62a_100000185155_100000686692 [0,2,0,0,0,0|1,1,0]=4 7631 B15R1.36731 Cc1cccc(c1SCC(=O)NCO)O 62a_100000686692_100000185155 [0,2,0,0,0,0|1,1,0]=4 7632 B15R1.36731 Cc1ccnc(c1OCC(=O)NCO)C 34a_100011934651_100000185155 [0,2,0,0,0,0|1,0,0]=3 7633 B15R1.36731 Cc1ccnc(c1OCC(=O)NCO)C 7a_100011934651_100000185155 [0,2,0,0,0,0|1,0,0]=3 7634 B15R1.36731 Cc1ccnc(c1OCC(=O)NCO)Cl 34a_100000696282_100000185155 [0,2,0,0,0,0|2,0,0]=4 7635 B15R1.36731 Cc1ccnc(c1OCC(=O)NCO)Cl 7a_100000696282_100000185155 [0,2,0,0,0,0|2,0,0]=4 7636 B15R1.36731 Cc1ccnc(c1SCC(=O)NCO)C 62a_100000185155_100012000501 [0,2,0,0,0,0|1,1,0]=4 7637 B15R1.36731 Cc1ccnc(c1SCC(=O)NCO)C 62a_100012000501_100000185155 [0,2,0,0,0,0|1,1,0]=4 7638 B15R1.36731 Cc1cncc(c1SCC(=O)NCO)C 62a_100000185155_100009817138 [0,2,0,0,0,0|1,1,0]=4 7639 B15R1.36731 Cc1cncc(c1SCC(=O)NCO)C 62a_100009817138_100000185155 [0,2,0,0,0,0|1,1,0]=4 7640 B15R1.36731 Cc1ncnc(c1OCC(=O)NCO)C 34a_100009878406_100000185155 [0,2,0,0,0,0|2,0,0]=4 7641 B15R1.36731 Cc1ncnc(c1OCC(=O)NCO)C 7a_100009878406_100000185155 [0,2,0,0,0,0|2,0,0]=4 7642 B15R1.36731 Cc1occc(=O)c1OCC(=O)NCO 34a_100000031901_100000185155 [0,2,0,0,0,0|2,0,0]=4 7643 B15R1.36731 Nc1cccc(c1OCC(=O)NCO)Br 34a_100011934915_100000185155 [0,2,0,0,0,0|2,0,0]=4 7644 B15R1.36731 Nc1cccc(c1OCC(=O)NCO)Cl 34a_100000754742_100000185155 [0,2,0,0,0,0|2,0,0]=4 7645 B15R1.36731 Nc1cccc(c1OCC(=O)NCO)F 34a_100011934987_100000185155 [0,2,0,0,0,0|2,0,0]=4 7646 B15R1.36731 Nc1cccc(c1OCC(=O)NCO)I 34a_100010084371_100000185155 [0,2,0,0,0,0|2,0,0]=4 7647 B15R1.36731 Nc1cccc(c1OCC(=O)NCO)N 34a_200016994477_100000185155 [0,2,0,0,0,0|2,0,0]=4 7648 B15R1.36731 O=C(CCO)COc1c(cccc1Cl)Cl 1458a_100000184137_100000211926 [0,2,0,0,0,0|2,0,0]=4 7649 B15R1.36731 O=C(COc1c(cccc1Br)Br)NCO 34a_100000736428_100000185155 [0,2,0,0,0,0|2,0,0]=4 7650 B15R1.36731 O=C(COc1c(cccc1Br)Br)NCO 7a_100000736428_100000185155 [0,2,0,0,0,0|2,0,0]=4 7651 B15R1.36731 O=C(COc1c(cccc1Br)Cl)NCO 34a_100010214474_100000185155 [0,2,0,0,0,0|2,0,0]=4 7652 B15R1.36731 O=C(COc1c(cccc1Br)Cl)NCO 7a_100010214474_100000185155 [0,2,0,0,0,0|2,0,0]=4 7653 B15R1.36731 O=C(COc1c(cccc1Br)F)NCO 34a_100009813666_100000185155 [0,2,0,0,0,0|2,0,0]=4 7654 B15R1.36731 O=C(COc1c(cccc1Br)F)NCO 7a_100009813666_100000185155 [0,2,0,0,0,0|2,0,0]=4 7655 B15R1.36731 O=C(COc1c(cccc1Cl)Cl)NCO 34a_100000211709_100000185155 [0,2,0,0,0,0|2,0,0]=4 7656 B15R1.36731 O=C(COc1c(cccc1Cl)Cl)NCO 7a_100000211709_100000185155 [0,2,0,0,0,0|2,0,0]=4 7657 B15R1.36731 O=C(COc1c(cccc1Cl)F)NCO 34a_100000694953_100000185155 [0,2,0,0,0,0|2,0,0]=4 7658 B15R1.36731 O=C(COc1c(cccc1Cl)F)NCO 7a_100000694953_100000185155 [0,2,0,0,0,0|2,0,0]=4 7659 B15R1.36731 O=C(COc1c(cccc1F)F)NCO 34a_100000230165_100000185155 [0,2,0,0,0,0|2,0,0]=4 7660 B15R1.36731 O=C(COc1c(cccc1F)F)NCO 7a_100000230165_100000185155 [0,2,0,0,0,0|2,0,0]=4 7661 B15R1.36731 O=C(COc1c(cccc1I)Br)NCO 34a_100010084509_100000185155 [0,2,0,0,0,0|2,0,0]=4 7662 B15R1.36731 O=C(COc1c(cccc1I)Br)NCO 7a_100010084509_100000185155 [0,2,0,0,0,0|2,0,0]=4 7663 B15R1.36731 O=C(COc1c(cccc1I)Cl)NCO 34a_100010202889_100000185155 [0,2,0,0,0,0|2,0,0]=4 7664 B15R1.36731 O=C(COc1c(cccc1I)Cl)NCO 7a_100010202889_100000185155 [0,2,0,0,0,0|2,0,0]=4 7665 B15R1.36731 O=C(COc1c(cccc1I)F)NCO 34a_100010186298_100000185155 [0,2,0,0,0,0|2,0,0]=4 7666 B15R1.36731 O=C(COc1c(cccc1I)F)NCO 7a_100010186298_100000185155 [0,2,0,0,0,0|2,0,0]=4 7667 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [1,0,0,1,0,0|2,0,0]=4 7668 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [1,0,0,1,0,0|2,0,0]=4 7669 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [1,0,0,1,0,0|1,0,0]=3 7670 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [1,0,0,1,0,0|1,1,0]=4 7671 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [1,0,0,1,0,0|2,0,0]=4 7672 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [1,0,0,1,0,0|1,0,0]=3 7673 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [1,0,0,1,0,0|1,1,0]=4 7674 B13R2.3587 Cc1ccccc1OCC2CO2 34a_100000210338_102125554688 [1,0,0,1,0,0|1,0,1]=4 7675 B13R2.3587 Cc1ccccc1OCC2CO2 7a_100000210338_102125554688 [1,0,0,1,0,0|1,0,1]=4 7676 B13R2.3587 Cc1ccccc1OC[C@@H]2CO2 7a_100000210338_100000745022 [1,0,0,1,0,0|1,0,1]=4 7677 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,0,0,1,0,0|2,0,0]=4 7678 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [1,0,0,1,0,0|2,0,0]=4 7679 B13R2.54 OCC1Cc2cccc(c2O1)O 271570a_203496583355_200102525175 [1,0,0,1,0,0|1,0,1]=4 7680 B13R2.402 Cc1cccc(c1OC2CC2)C 34a_100000210341_100000211595 [1,0,0,1,0,0|1,0,1]=4 7681 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,0,0,1,1,0|2,0,0]=4 7682 B15R2.6956 Cc1cccc(c1C2=CC(=O)CC2)C 271570a_100010737933_100000033847 [0,0,0,1,0,1|2,0,0]=4 7683 B15R2.8633 Cc1cccc(c1COCC2CO2)C 34a_100011933981_102125554688 [0,0,0,1,0,1|1,0,1]=4 7684 B15R2.8633 Cc1cccc(c1COCC2CO2)C 7a_100011933981_102125554688 [0,0,0,1,0,1|1,0,1]=4 7685 B15R2.8633 Cc1cccc(c1COC[C@@H]2CO2)C 34a_100000757423_100000758300 [0,0,0,1,0,1|1,0,1]=4 7686 B15R2.8633 Cc1cccc(c1COC[C@@H]2CO2)C 7a_100011933981_100000745022 [0,0,0,1,0,1|1,0,1]=4 7687 B15R2.8633 Cc1cccc(c1OCCC2CO2)C 34a_100000210341_100000732470 [0,0,0,1,0,1|1,0,1]=4 7688 B15R2.8633 Cc1cccc(c1OCCC2CO2)C 7a_100000210341_100000732470 [0,0,0,1,0,1|1,0,1]=4 7689 B15R2.13461 Cc1cccc2c1CN(C2)CC(=O)N 2230a_100020635169_100000747473 [0,0,0,1,0,1|2,0,0]=4 7690 B15R2.13461 Cc1cccc2c1CN(C2)CC(=O)N 269982a_100020635169_100000187820 [0,0,0,1,0,1|2,0,0]=4 7691 B15R2.13461 Cc1cccc2c1CN(C2)CC(=O)N 34a_100020635169_100000187820 [0,0,0,1,0,1|2,0,0]=4 7692 B15R2.13461 Cc1cccc2c1CN(C2)CC(=O)[O-] 269982a_100020635169_100020667443 [0,0,0,1,0,1|1,0,1]=4 7693 B15R2.13461 Cc1cccc2c1CN(C2)CC(=O)[O-] 34a_100020635169_100020667443 [0,0,0,1,0,1|1,0,1]=4 7694 B15R2.13598 CC(=O)N1CCc2c(cccc2C1)C 11a_200000752276_100015343762 [0,0,0,1,0,1|2,0,0]=4 7695 B15R2.13598 CC(=O)N1CCc2c(cccc2C1)C 1626a_200000752276_100015343762 [0,0,0,1,0,1|2,0,0]=4 7696 B15R2.13598 CC(=O)N1CCc2c(cccc2C1)C 240690a_200000752276_100015343762 [0,0,0,1,0,1|2,0,0]=4 7697 B15R2.13598 CC(=O)N1CCc2c(cccc2C1)C 527a_200000752276_100103153847 [0,0,0,1,0,1|2,0,0]=4 7698 B15R2.48035 Cc1cccc(c1SC2CC(=O)C2)C 62a_100009894365_100000033847 [0,0,0,1,0,1|1,1,0]=4 7699 B15R2.2055 CCc1cccc(c1OCC2CO2)C 34a_100000034007_102125554688 [0,1,0,1,0,0|1,0,1]=4 7700 B15R2.2055 CCc1cccc(c1OCC2CO2)C 7a_100000034007_102125554688 [0,1,0,1,0,0|1,0,1]=4 7701 B15R2.2055 CCc1cccc(c1OC[C@@H]2CO2)C 7a_100000034007_100000745022 [0,1,0,1,0,0|1,0,1]=4 7702 B15R2.2055 COc1cccc(c1OCC2CO2)C 34a_100011219253_102125554688 [0,1,0,1,0,0|1,0,1]=4 7703 B15R2.2055 COc1cccc(c1OCC2CO2)C 7a_100011219253_102125554688 [0,1,0,1,0,0|1,0,1]=4 7704 B15R2.2055 COc1cccc(c1OC[C@@H]2CO2)C 7a_100011219253_100000745022 [0,1,0,1,0,0|1,0,1]=4 7705 B15R2.2055 Cc1cccc(c1OCC2CO2)CN 34a_100020639391_102125554688 [0,1,0,1,0,0|1,0,1]=4 7706 B15R2.4200 Cc1cc(c(c(c1)C)OCC2CO2)C 34a_100000212074_102125554688 [0,1,0,1,0,0|1,0,1]=4 7707 B15R2.4200 Cc1cc(c(c(c1)C)OCC2CO2)C 7a_100000212074_102125554688 [0,1,0,1,0,0|1,0,1]=4 7708 B15R2.4200 Cc1cc(c(c(c1)C)OC[C@@H]2CO2)C 7a_100000212074_100000745022 [0,1,0,1,0,0|1,0,1]=4 7709 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)Br 34a_100000187306_102125554688 [0,1,0,1,0,0|1,0,1]=4 7710 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)Br 7a_100000187306_102125554688 [0,1,0,1,0,0|1,0,1]=4 7711 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)Cl 34a_100000211519_102125554688 [0,1,0,1,0,0|1,0,1]=4 7712 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)Cl 7a_100000211519_102125554688 [0,1,0,1,0,0|1,0,1]=4 7713 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)F 34a_100000081862_102125554688 [0,1,0,1,0,0|1,0,1]=4 7714 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)F 7a_100000081862_102125554688 [0,1,0,1,0,0|1,0,1]=4 7715 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)I 34a_100011216129_102125554688 [0,1,0,1,0,0|1,0,1]=4 7716 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)I 7a_100011216129_102125554688 [0,1,0,1,0,0|1,0,1]=4 7717 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)N 34a_100000703291_102125554688 [0,1,0,1,0,0|1,0,1]=4 7718 B15R2.4200 Cc1cc(cc(c1OCC2CO2)C)N 7a_100000703291_102125554688 [0,1,0,1,0,0|1,0,1]=4 7719 B15R2.4200 Cc1cc(cc(c1OC[C@@H]2CO2)C)Br 7a_100000187306_100000745022 [0,1,0,1,0,0|1,0,1]=4 7720 B15R2.4200 Cc1cc(cc(c1OC[C@@H]2CO2)C)Cl 7a_100000211519_100000745022 [0,1,0,1,0,0|1,0,1]=4 7721 B15R2.4200 Cc1cc(cc(c1OC[C@@H]2CO2)C)F 7a_100000081862_100000745022 [0,1,0,1,0,0|1,0,1]=4 7722 B15R2.4200 Cc1cc(cc(c1OC[C@@H]2CO2)C)I 7a_100011216129_100000745022 [0,1,0,1,0,0|1,0,1]=4 7723 B15R2.4200 Cc1cc(cc(c1OC[C@@H]2CO2)C)N 7a_100000703291_100000745022 [0,1,0,1,0,0|1,0,1]=4 7724 B15R2.48036 Cc1cccc(c1OCC2(CO2)C)C 34a_100000210341_100000760498 [0,1,0,1,0,0|1,0,1]=4 7725 B15R2.15370 Cc1cccc(c1NC2CCC2=O)C 34a_100000185769_100009892977 [0,1,0,1,0,0|2,0,0]=4 7726 B15R2.15370 Cc1cccc(c1OC2CCC2=O)Br 34a_100009817157_100009892977 [0,1,0,1,0,0|2,0,0]=4 7727 B15R2.15370 Cc1cccc(c1OC2CCC2=O)Br 7a_100009817157_100009892977 [0,1,0,1,0,0|2,0,0]=4 7728 B15R2.15370 Cc1cccc(c1OC2CCC2=O)C 34a_100000210341_100009892977 [0,1,0,1,0,0|1,0,0]=3 7729 B15R2.15370 Cc1cccc(c1OC2CCC2=O)C 7a_100000210341_100009892977 [0,1,0,1,0,0|1,0,0]=3 7730 B15R2.15370 Cc1cccc(c1OC2CCC2=O)Cl 34a_100000033731_100009892977 [0,1,0,1,0,0|2,0,0]=4 7731 B15R2.15370 Cc1cccc(c1OC2CCC2=O)Cl 7a_100000033731_100009892977 [0,1,0,1,0,0|2,0,0]=4 7732 B15R2.15370 Cc1cccc(c1OC2CCC2=O)F 34a_100011659162_100009892977 [0,1,0,1,0,0|2,0,0]=4 7733 B15R2.15370 Cc1cccc(c1OC2CCC2=O)F 7a_100011659162_100009892977 [0,1,0,1,0,0|2,0,0]=4 7734 B15R2.15370 Cc1cccc(c1OC2CCC2=O)N 34a_100000756359_100009892977 [0,1,0,1,0,0|2,0,0]=4 7735 B15R2.15370 Cc1cccc(c1OC2CCC2=O)N 7a_100000756359_100009892977 [0,1,0,1,0,0|2,0,0]=4 7736 B15R2.15370 Cc1cccc(c1SC2CCC2=O)C 62a_100000033847_100009892977 [0,1,0,1,0,0|1,1,0]=4 7737 B15R2.15370 Cc1cccc(c1SC2CCC2=O)C 62a_100009892977_100000033847 [0,1,0,1,0,0|1,1,0]=4 7738 B15R2.15370 Cc1ccnc(c1OC2CCC2=O)C 34a_100011934651_100009892977 [0,1,0,1,0,0|2,0,0]=4 7739 B15R2.15370 Cc1ccnc(c1OC2CCC2=O)C 7a_100011934651_100009892977 [0,1,0,1,0,0|2,0,0]=4 7740 B15R2.15646 Cc1ccc(c(c1C)OCC2CO2)C 34a_100000211305_102125554688 [0,1,0,1,0,0|1,0,1]=4 7741 B15R2.15646 Cc1ccc(c(c1C)OCC2CO2)C 7a_100000211305_102125554688 [0,1,0,1,0,0|1,0,1]=4 7742 B15R2.15646 Cc1ccc(c(c1C)OC[C@@H]2CO2)C 7a_100000211305_100000745022 [0,1,0,1,0,0|1,0,1]=4 7743 B15R2.1598 Cc1cccc2c1CN(C2)C(=O)CO 240690a_100020635169_100000210174 [0,1,0,1,0,0|2,0,0]=4 7744 B15R2.1598 Cc1cccc2c1CN(C2)C(=O)CO 527a_100020635169_100000210174 [0,1,0,1,0,0|2,0,0]=4 7745 B15R2.8669 Cc1cccc(c1OCC2CCO2)C 34a_100000210341_100000103362 [0,1,0,1,0,0|1,0,1]=4 7746 B15R2.8669 Cc1cccc(c1OCC2CCO2)C 7a_100000210341_100000103362 [0,1,0,1,0,0|1,0,1]=4 7747 B15R2.8669 Cc1cccc(c1OCC2COC2)C 34a_100000210341_100010264016 [0,1,0,1,0,0|1,0,1]=4 7748 B15R2.8669 Cc1cccc(c1OCC2COC2)C 7a_100000210341_100010264016 [0,1,0,1,0,0|1,0,1]=4 7749 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,0,0,0,1,0|2,0,0]=4 7750 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,0,0,0,1,0|2,0,0]=4 7751 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,0,0,1,0|1,0,0]=3 7752 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,0,0,1,0|1,0,0]=3 7753 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,0,0,0,1,0|2,0,0]=4 7754 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,0,0,0,1,0|2,0,0]=4 7755 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,0,0,0,1,0|2,0,0]=4 7756 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,0,0,0,1,0|2,0,0]=4 7757 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,0,0,0,1,0|2,0,0]=4 7758 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,0,0,0,1,0|2,0,0]=4 7759 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,0,0,1,0|2,0,0]=4 7760 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,0,0,1,0|2,0,0]=4 7761 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,0,0,0,1,0|2,0,0]=4 7762 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,0,0,0,1,0|2,0,0]=4 7763 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,0,0,0,1,0|2,0,0]=4 7764 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,0,0,0,1,0|2,0,0]=4 7765 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,0,0,0,1,0|2,0,0]=4 7766 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,0,0,1,0|2,0,0]=4 7767 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,0,0,1,0|2,0,0]=4 7768 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,0,0,1,0|2,0,0]=4 7769 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,0,0,1,0|2,0,0]=4 7770 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,0,0,1,0|2,0,0]=4 7771 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,0,0,1,0|1,0,0]=3 7772 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,0,0,0,1,0|2,0,0]=4 7773 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,0,0,1,0|2,0,0]=4 7774 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,0,0,0,1,0|2,0,0]=4 7775 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,0,0,0,1,0|2,0,0]=4 7776 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,0,0,0,1,0|2,0,0]=4 7777 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,0,0,0,1,0|2,0,0]=4 7778 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,0,0,1,0|2,0,0]=4 7779 B11R1.465 Cc1n[nH]c(c1OCC=O)C 34a_100012186652_200009817547 [1,0,0,0,1,0|2,0,0]=4 7780 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,0,0,0,2,0|2,0,0]=4 7781 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,0,0,0,2,0|2,0,0]=4 7782 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,0,0,0,2,0|2,0,0]=4 7783 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,0,0,0,2,0|2,0,0]=4 7784 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,0,0,0,2,0|1,0,0]=3 7785 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,0,0,0,2,0|2,0,0]=4 7786 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,0,0,0,2,0|2,0,0]=4 7787 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,0,0,0,2,0|2,0,0]=4 7788 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,0,0,0,2,0|2,0,0]=4 7789 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,0,0,0,2,0|2,0,0]=4 7790 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,0,0,0,2,0|1,0,0]=3 7791 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,0,0,0,2,0|2,0,0]=4 7792 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,0,0,0,2,0|2,0,0]=4 7793 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,0,0,0,2,0|2,0,0]=4 7794 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,0,0,0,2,0|2,0,0]=4 7795 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [1,0,0,0,0,1|2,0,0]=4 7796 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [1,0,0,0,0,1|2,0,0]=4 7797 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [1,0,0,0,0,1|2,0,0]=4 7798 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [1,0,0,0,0,1|2,0,0]=4 7799 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [1,0,0,0,0,1|2,0,0]=4 7800 B13R1.158 C=C(F)COCc1ccccc1C 34a_100000698903_100009893438 [1,0,0,0,0,1|2,0,0]=4 7801 B13R1.158 C=C(F)COCc1ccccc1C 34a_200010262243_100000211839 [1,0,0,0,0,1|2,0,0]=4 7802 B13R1.158 C=C(F)COCc1ccccc1C 7a_100000698903_100000042424 [1,0,0,0,0,1|2,0,0]=4 7803 B13R1.158 CC(=CCOc1ccccc1C)C 34a_100000210338_100000761012 [1,0,0,0,0,1|2,0,0]=4 7804 B13R1.158 CC(=CCOc1ccccc1C)C 7a_100000210338_100000761012 [1,0,0,0,0,1|2,0,0]=4 7805 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [1,0,0,0,0,1|2,0,0]=4 7806 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [1,0,0,0,0,1|2,0,0]=4 7807 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [1,0,0,0,0,1|2,0,0]=4 7808 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [1,0,0,0,0,1|1,0,0]=3 7809 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [1,0,0,0,0,1|1,0,0]=3 7810 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [1,0,0,0,0,1|1,0,0]=3 7811 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [1,0,0,0,0,1|2,0,0]=4 7812 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [1,0,0,0,0,1|2,0,0]=4 7813 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [1,0,0,0,0,1|2,0,0]=4 7814 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [1,0,0,0,0,1|2,0,0]=4 7815 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [1,0,0,0,0,1|2,0,0]=4 7816 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [1,0,0,0,0,1|2,0,0]=4 7817 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [1,0,0,0,0,1|2,0,0]=4 7818 B13R1.158 CC(=O)CCOc1cccnc1C 7a_100000745507_100000053229 [1,0,0,0,0,1|2,0,0]=4 7819 B13R1.158 CC(=O)CCOc1cnccc1C 7a_100011997053_100000053229 [1,0,0,0,0,1|2,0,0]=4 7820 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [1,0,0,0,0,1|1,1,0]=4 7821 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [1,0,0,0,0,1|1,1,0]=4 7822 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [1,0,0,0,0,1|2,0,0]=4 7823 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [1,0,0,0,0,1|1,0,0]=3 7824 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [1,0,0,0,0,1|2,0,0]=4 7825 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [1,0,0,0,0,1|2,0,0]=4 7826 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [1,0,0,0,0,1|2,0,0]=4 7827 B13R1.158 CC(=O)COCc1cccnc1C 34a_100000211253_100000732876 [1,0,0,0,0,1|2,0,0]=4 7828 B13R1.158 CC(=O)COCc1ccncc1C 34a_100000211253_100020672809 [1,0,0,0,0,1|2,0,0]=4 7829 B13R1.158 CC(=O)COCc1cnccc1C 34a_100000211253_100000690890 [1,0,0,0,0,1|2,0,0]=4 7830 B13R1.158 CC(=O)COCc1ncccc1C 34a_100000211253_100000696600 [1,0,0,0,0,1|2,0,0]=4 7831 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [1,0,0,0,0,1|1,1,0]=4 7832 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [1,0,0,0,0,1|2,0,0]=4 7833 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [1,0,0,0,0,1|2,0,0]=4 7834 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [1,0,0,0,0,1|2,0,0]=4 7835 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [1,0,0,0,0,1|2,0,0]=4 7836 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [1,0,0,0,0,1|2,0,0]=4 7837 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [1,0,0,0,0,1|2,0,0]=4 7838 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [1,0,0,0,0,1|1,0,0]=3 7839 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [1,0,0,0,0,1|2,0,0]=4 7840 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [1,0,0,0,0,1|2,0,0]=4 7841 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [1,0,0,0,0,1|2,0,0]=4 7842 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [1,0,0,0,0,1|2,0,0]=4 7843 B13R1.158 CC(=O)OCOc1cccnc1C 34a_100000745507_100009813279 [1,0,0,0,0,1|2,0,0]=4 7844 B13R1.158 CC(=O)OCOc1ccncc1C 34a_100000694293_100009813279 [1,0,0,0,0,1|2,0,0]=4 7845 B13R1.158 CC(=O)OCOc1cnccc1C 34a_100011997053_100009813279 [1,0,0,0,0,1|2,0,0]=4 7846 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [1,0,0,0,0,1|1,1,0]=4 7847 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [1,0,0,0,0,1|1,1,0]=4 7848 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [1,0,0,0,0,1|2,0,0]=4 7849 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [1,0,0,0,0,1|2,0,0]=4 7850 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [1,0,0,0,0,1|1,0,0]=3 7851 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [1,0,0,0,0,1|1,0,1]=4 7852 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [1,0,0,0,0,1|1,0,0]=3 7853 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [1,0,0,0,0,1|1,0,0]=3 7854 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [1,0,0,0,0,1|0,0,1]=3 7855 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [1,0,0,0,0,1|1,0,1]=4 7856 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [1,0,0,0,0,1|1,0,1]=4 7857 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [1,0,0,0,0,1|1,0,1]=4 7858 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [1,0,0,0,0,1|1,0,1]=4 7859 B13R1.158 Cc1ccccc1COC[N+](=O)[O-] 34a_100000698903_100000761209 [1,0,0,0,0,1|1,0,1]=4 7860 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [1,0,0,0,0,1|1,1,0]=4 7861 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [1,0,0,0,0,1|1,1,0]=4 7862 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [1,0,0,0,0,1|1,1,0]=4 7863 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [1,0,0,0,0,1|0,1,1]=4 7864 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [1,0,0,0,0,1|0,1,1]=4 7865 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [1,0,0,0,0,1|2,0,0]=4 7866 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [1,0,0,0,0,1|1,0,0]=3 7867 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [1,0,0,0,0,1|1,0,0]=3 7868 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [1,0,0,0,0,1|1,0,0]=3 7869 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [1,0,0,0,0,1|1,0,1]=4 7870 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [1,0,0,0,0,1|1,0,1]=4 7871 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [1,0,0,0,0,1|1,1,0]=4 7872 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [1,0,0,0,0,1|1,1,0]=4 7873 B13R1.158 Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000696600 [1,0,0,0,0,1|2,0,0]=4 7874 B13R1.158 Cc1cccnc1COCC(=O)N 34a_100000698912_100000187820 [1,0,0,0,0,1|2,0,0]=4 7875 B13R1.158 Cc1cccnc1COCC(=O)[O-] 34a_100000698912_100020667443 [1,0,0,0,0,1|1,0,1]=4 7876 B13R1.158 Cc1ccncc1CNCC(=O)O 269956a_100016091260_100000690890 [1,0,0,0,0,1|2,0,0]=4 7877 B13R1.158 Cc1ccncc1COCC(=O)N 34a_100011996381_100000187820 [1,0,0,0,0,1|2,0,0]=4 7878 B13R1.158 Cc1ccncc1COCC(=O)[O-] 34a_100011996381_100020667443 [1,0,0,0,0,1|1,0,1]=4 7879 B13R1.158 Cc1ccncc1OCCC(=O)N 34a_100011997053_100000731001 [1,0,0,0,0,1|2,0,0]=4 7880 B13R1.158 Cc1ccncc1OCCC(=O)N 7a_100011997053_100000744528 [1,0,0,0,0,1|2,0,0]=4 7881 B13R1.158 Cc1cnccc1CNCC(=O)O 269956a_100016091260_100020672808 [1,0,0,0,0,1|2,0,0]=4 7882 B13R1.158 Cc1cnccc1COCC(=O)N 34a_100011997032_100000187820 [1,0,0,0,0,1|2,0,0]=4 7883 B13R1.158 Cc1cnccc1COCC(=O)[O-] 34a_100011997032_100020667443 [1,0,0,0,0,1|1,0,1]=4 7884 B13R1.158 Cc1cnccc1OCCC(=O)N 34a_100000694293_100000731001 [1,0,0,0,0,1|2,0,0]=4 7885 B13R1.158 Cc1ncccc1CNCC(=O)O 269956a_100016091260_100000732876 [1,0,0,0,0,1|2,0,0]=4 7886 B13R1.158 Cc1ncccc1COCC(=O)N 34a_100000729262_100000187820 [1,0,0,0,0,1|2,0,0]=4 7887 B13R1.158 Cc1ncccc1COCC(=O)N 7a_100000729262_100000187820 [1,0,0,0,0,1|2,0,0]=4 7888 B13R1.158 Cc1ncccc1COCC(=O)[O-] 34a_100000729262_100020667443 [1,0,0,0,0,1|1,0,1]=4 7889 B13R1.158 Cc1ncccc1OCCC(=O)N 34a_100000745507_100000731001 [1,0,0,0,0,1|2,0,0]=4 7890 B13R1.158 Cc1ncccc1OCCC(=O)N 7a_100000745507_100000744528 [1,0,0,0,0,1|2,0,0]=4 7891 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [1,0,0,0,0,1|2,0,0]=4 7892 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [1,0,0,0,0,1|2,0,0]=4 7893 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [1,0,0,0,0,1|2,0,0]=4 7894 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [1,0,0,0,0,1|2,0,0]=4 7895 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [1,0,0,0,0,1|2,0,0]=4 7896 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [1,0,0,0,0,1|2,0,0]=4 7897 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [1,0,0,0,0,1|2,0,0]=4 7898 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [1,0,0,0,0,1|2,0,0]=4 7899 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [1,0,0,0,0,1|2,0,0]=4 7900 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [1,0,0,0,0,1|2,0,0]=4 7901 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [1,0,0,0,0,1|2,0,0]=4 7902 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [1,0,0,0,0,1|2,0,0]=4 7903 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [1,0,0,0,0,1|2,0,0]=4 7904 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [1,0,0,0,0,1|2,0,0]=4 7905 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [1,0,0,0,0,1|2,0,0]=4 7906 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [1,0,0,0,0,1|2,0,0]=4 7907 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [1,0,0,0,0,1|2,0,0]=4 7908 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [1,0,0,0,0,1|2,0,0]=4 7909 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [1,0,0,0,0,1|2,0,0]=4 7910 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [1,0,0,0,0,1|1,0,1]=4 7911 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [1,0,0,0,0,1|2,0,0]=4 7912 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [1,0,0,0,0,1|2,0,0]=4 7913 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [1,0,0,0,0,1|2,0,0]=4 7914 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [1,0,0,0,0,1|2,0,0]=4 7915 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [1,0,0,0,0,1|1,0,1]=4 7916 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [1,0,0,0,0,1|1,0,1]=4 7917 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [1,0,0,0,0,1|1,0,1]=4 7918 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [1,0,0,0,0,1|1,0,1]=4 7919 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [1,0,0,0,0,1|2,0,0]=4 7920 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [1,0,0,0,0,1|2,0,0]=4 7921 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [1,0,0,0,0,1|2,0,0]=4 7922 B15R1.8290 C=C(Br)CCOCc1c(cccc1C)C 34a_100009813270_100000758300 [0,0,0,0,0,2|2,0,0]=4 7923 B15R1.8290 C=C(C)CCOCc1c(cccc1C)C 34a_100000764851_100000758300 [0,0,0,0,0,2|2,0,0]=4 7924 B15R1.8290 C=C(C)CCOCc1c(cccc1C)C 34a_100011933981_100000730704 [0,0,0,0,0,2|2,0,0]=4 7925 B15R1.8290 C=C(C)CCOCc1c(cccc1C)C 7a_100011933981_100000730704 [0,0,0,0,0,2|2,0,0]=4 7926 B15R1.8290 CC(=CCCOc1c(cccc1C)C)C 34a_100000210341_100011217483 [0,0,0,0,0,2|2,0,0]=4 7927 B15R1.8290 CC(=CCCOc1c(cccc1C)C)C 7a_100000210341_100011217483 [0,0,0,0,0,2|2,0,0]=4 7928 B15R1.8290 CC(=CCOCc1c(cccc1C)C)C 34a_100000753907_100000758300 [0,0,0,0,0,2|2,0,0]=4 7929 B15R1.8290 CC(=CCOCc1c(cccc1C)C)C 34a_100011933981_100000761012 [0,0,0,0,0,2|2,0,0]=4 7930 B15R1.8290 CC(=CCOCc1c(cccc1C)C)C 7a_100011933981_100000761012 [0,0,0,0,0,2|2,0,0]=4 7931 B15R1.8290 CC(=O)CCCNc1c(cccc1C)C 34a_100000185769_100000685027 [0,0,0,0,0,2|2,0,0]=4 7932 B15R1.8290 CC(=O)CCCOc1c(cccc1Br)C 34a_100009817157_100000685027 [0,0,0,0,0,2|2,0,0]=4 7933 B15R1.8290 CC(=O)CCCOc1c(cccc1Br)C 7a_100009817157_100011215641 [0,0,0,0,0,2|2,0,0]=4 7934 B15R1.8290 CC(=O)CCCOc1c(cccc1C)C 34a_100000210341_100000685027 [0,0,0,0,0,2|1,0,0]=3 7935 B15R1.8290 CC(=O)CCCOc1c(cccc1C)C 7a_100000210341_100011215641 [0,0,0,0,0,2|1,0,0]=3 7936 B15R1.8290 CC(=O)CCCOc1c(cccc1Cl)C 34a_100000033731_100000685027 [0,0,0,0,0,2|2,0,0]=4 7937 B15R1.8290 CC(=O)CCCOc1c(cccc1Cl)C 7a_100000033731_100011215641 [0,0,0,0,0,2|2,0,0]=4 7938 B15R1.8290 CC(=O)CCCOc1c(cccc1F)C 34a_100011659162_100000685027 [0,0,0,0,0,2|2,0,0]=4 7939 B15R1.8290 CC(=O)CCCOc1c(cccc1F)C 7a_100011659162_100011215641 [0,0,0,0,0,2|2,0,0]=4 7940 B15R1.8290 CC(=O)CCCOc1c(cccc1N)C 34a_100000756359_100000685027 [0,0,0,0,0,2|2,0,0]=4 7941 B15R1.8290 CC(=O)CCCOc1c(cccc1N)C 7a_100000756359_100011215641 [0,0,0,0,0,2|2,0,0]=4 7942 B15R1.8290 CC(=O)CCCOc1c(ccnc1C)C 34a_100011934651_100000685027 [0,0,0,0,0,2|2,0,0]=4 7943 B15R1.8290 CC(=O)CCCOc1c(ccnc1C)C 7a_100011934651_100011215641 [0,0,0,0,0,2|2,0,0]=4 7944 B15R1.8290 CC(=O)CCCSc1c(cccc1C)C 62a_100000033847_100011215641 [0,0,0,0,0,2|1,1,0]=4 7945 B15R1.8290 CC(=O)CCCSc1c(cccc1C)C 62a_100011215641_100000033847 [0,0,0,0,0,2|1,1,0]=4 7946 B15R1.8290 CC(=O)CCOCc1c(cccc1Br)C 34a_100000759926_100010146847 [0,0,0,0,0,2|2,0,0]=4 7947 B15R1.8290 CC(=O)CCOCc1c(cccc1Br)C 7a_100000759926_100010146847 [0,0,0,0,0,2|2,0,0]=4 7948 B15R1.8290 CC(=O)CCOCc1c(cccc1C)C 34a_100000759926_100000758300 [0,0,0,0,0,2|1,0,0]=3 7949 B15R1.8290 CC(=O)CCOCc1c(cccc1C)C 7a_100000759926_100000758300 [0,0,0,0,0,2|1,0,0]=3 7950 B15R1.8290 CC(=O)CCOCc1c(cccc1C)C 7a_100011933981_100000053229 [0,0,0,0,0,2|1,0,0]=3 7951 B15R1.8290 CC(=O)CCOCc1c(cccc1Cl)C 7a_100000082531_100000053229 [0,0,0,0,0,2|2,0,0]=4 7952 B15R1.8290 CC(=O)CCOCc1c(cccc1F)C 34a_100000759926_100009814554 [0,0,0,0,0,2|2,0,0]=4 7953 B15R1.8290 CC(=O)CCOCc1c(cccc1F)C 7a_100000057874_100000053229 [0,0,0,0,0,2|2,0,0]=4 7954 B15R1.8290 CC(=O)CCOCc1c(cccc1F)C 7a_100000759926_100009814554 [0,0,0,0,0,2|2,0,0]=4 7955 B15R1.8290 CC(=O)CCOCc1c(cccc1I)C 34a_100000759926_100010150146 [0,0,0,0,0,2|2,0,0]=4 7956 B15R1.8290 CC(=O)CCOCc1c(cccc1I)C 7a_100000759926_100010150146 [0,0,0,0,0,2|2,0,0]=4 7957 B15R1.8290 CC(=O)CCSCc1c(cccc1C)C 62a_100000053229_100000758300 [0,0,0,0,0,2|1,1,0]=4 7958 B15R1.8290 CC(=O)CCSCc1c(cccc1C)C 62a_100000758300_100000053229 [0,0,0,0,0,2|1,1,0]=4 7959 B15R1.8290 CC(=O)NCCOc1c(cccc1Br)C 7a_100009817157_100000189650 [0,0,0,0,0,2|2,0,0]=4 7960 B15R1.8290 CC(=O)NCCOc1c(cccc1C)C 11a_100000740230_100015343762 [0,0,0,0,0,2|1,0,0]=3 7961 B15R1.8290 CC(=O)NCCOc1c(cccc1C)C 1626a_100000740230_100015343762 [0,0,0,0,0,2|1,0,0]=3 7962 B15R1.8290 CC(=O)NCCOc1c(cccc1C)C 240690a_100000740230_100015343762 [0,0,0,0,0,2|1,0,0]=3 7963 B15R1.8290 CC(=O)NCCOc1c(cccc1C)C 527a_100000740230_100103153847 [0,0,0,0,0,2|1,0,0]=3 7964 B15R1.8290 CC(=O)NCCOc1c(cccc1C)C 7a_100000210341_100000189650 [0,0,0,0,0,2|1,0,0]=3 7965 B15R1.8290 CC(=O)NCCOc1c(cccc1Cl)C 11a_100015186626_100015343762 [0,0,0,0,0,2|2,0,0]=4 7966 B15R1.8290 CC(=O)NCCOc1c(cccc1Cl)C 1626a_100015186626_100015343762 [0,0,0,0,0,2|2,0,0]=4 7967 B15R1.8290 CC(=O)NCCOc1c(cccc1Cl)C 240690a_100015186626_100015343762 [0,0,0,0,0,2|2,0,0]=4 7968 B15R1.8290 CC(=O)NCCOc1c(cccc1Cl)C 527a_100015186626_100103153847 [0,0,0,0,0,2|2,0,0]=4 7969 B15R1.8290 CC(=O)NCCOc1c(cccc1Cl)C 7a_100000033731_100000189650 [0,0,0,0,0,2|2,0,0]=4 7970 B15R1.8290 CC(=O)NCCOc1c(cccc1F)C 7a_100011659162_100000189650 [0,0,0,0,0,2|2,0,0]=4 7971 B15R1.8290 CC(=O)NCCOc1c(cccc1N)C 7a_100000756359_100000189650 [0,0,0,0,0,2|2,0,0]=4 7972 B15R1.8290 CC(=O)NCCOc1c(ccnc1C)C 7a_100011934651_100000189650 [0,0,0,0,0,2|2,0,0]=4 7973 B15R1.8290 CC(=O)NCCSc1c(cccc1C)C 62a_100000033847_100000189650 [0,0,0,0,0,2|1,1,0]=4 7974 B15R1.8290 CC(=O)NCCSc1c(cccc1C)C 62a_100000189650_100000033847 [0,0,0,0,0,2|1,1,0]=4 7975 B15R1.8290 CC(=O)OCC=Cc1c(cccc1C)C 271570a_200000047263_100000033847 [0,0,0,0,0,2|2,0,0]=4 7976 B15R1.8290 CC(=O)OCCNc1c(cccc1C)C 34a_100000185769_100009814007 [0,0,0,0,0,2|2,0,0]=4 7977 B15R1.8290 CC(=O)OCCOc1c(cccc1Br)C 34a_100009817157_100009814007 [0,0,0,0,0,2|2,0,0]=4 7978 B15R1.8290 CC(=O)OCCOc1c(cccc1Br)C 7a_100009817157_100009814007 [0,0,0,0,0,2|2,0,0]=4 7979 B15R1.8290 CC(=O)OCCOc1c(cccc1C)C 34a_100000210341_100009814007 [0,0,0,0,0,2|1,0,0]=3 7980 B15R1.8290 CC(=O)OCCOc1c(cccc1C)C 7a_100000210341_100009814007 [0,0,0,0,0,2|1,0,0]=3 7981 B15R1.8290 CC(=O)OCCOc1c(cccc1Cl)C 34a_100000033731_100009814007 [0,0,0,0,0,2|2,0,0]=4 7982 B15R1.8290 CC(=O)OCCOc1c(cccc1Cl)C 7a_100000033731_100009814007 [0,0,0,0,0,2|2,0,0]=4 7983 B15R1.8290 CC(=O)OCCOc1c(cccc1F)C 34a_100011659162_100009814007 [0,0,0,0,0,2|2,0,0]=4 7984 B15R1.8290 CC(=O)OCCOc1c(cccc1F)C 7a_100011659162_100009814007 [0,0,0,0,0,2|2,0,0]=4 7985 B15R1.8290 CC(=O)OCCOc1c(cccc1N)C 34a_100000756359_100009814007 [0,0,0,0,0,2|2,0,0]=4 7986 B15R1.8290 CC(=O)OCCOc1c(cccc1N)C 7a_100000756359_100009814007 [0,0,0,0,0,2|2,0,0]=4 7987 B15R1.8290 CC(=O)OCCOc1c(ccnc1C)C 34a_100011934651_100009814007 [0,0,0,0,0,2|2,0,0]=4 7988 B15R1.8290 CC(=O)OCCOc1c(ccnc1C)C 7a_100011934651_100009814007 [0,0,0,0,0,2|2,0,0]=4 7989 B15R1.8290 CC(=O)OCCSc1c(cccc1C)C 62a_100000033847_100009814007 [0,0,0,0,0,2|1,1,0]=4 7990 B15R1.8290 CC(=O)OCCSc1c(cccc1C)C 62a_100009814007_100000033847 [0,0,0,0,0,2|1,1,0]=4 7991 B15R1.8290 CC(=O)OCNCc1c(cccc1C)C 34a_100000689800_100009813279 [0,0,0,0,0,2|2,0,0]=4 7992 B15R1.8290 CC(=O)OCOCc1c(cccc1C)C 34a_100011933981_100009813279 [0,0,0,0,0,2|1,0,0]=3 7993 B15R1.8290 CC(=O)OCOCc1c(cccc1Cl)C 34a_100000082531_100009813279 [0,0,0,0,0,2|2,0,0]=4 7994 B15R1.8290 CC(=O)OCOCc1c(cccc1F)C 34a_100000057874_100009813279 [0,0,0,0,0,2|2,0,0]=4 7995 B15R1.8290 CC(=O)OCSCc1c(cccc1C)C 62a_100000076356_100000758300 [0,0,0,0,0,2|1,1,0]=4 7996 B15R1.8290 CC(=O)OCSCc1c(cccc1C)C 62a_100000758300_100000076356 [0,0,0,0,0,2|1,1,0]=4 7997 B15R1.8290 Cc1cccc(c1CNCCC(=O)N)C 207a_100000740010_100000758299 [0,0,0,0,0,2|2,0,0]=4 7998 B15R1.8290 Cc1cccc(c1CNCCC(=O)N)C 34a_100000689800_100000731001 [0,0,0,0,0,2|2,0,0]=4 7999 B15R1.8290 Cc1cccc(c1CNOCC(=O)O)Br 269956a_100000106656_100010146847 [0,0,0,0,0,2|1,0,0]=3 8000 B15R1.8290 Cc1cccc(c1CNOCC(=O)O)C 269956a_100000106656_100000758300 [0,0,0,0,0,2|0,0,0]=2 8001 B15R1.8290 Cc1cccc(c1CNOCC(=O)O)F 269956a_100000106656_100009814554 [0,0,0,0,0,2|1,0,0]=3 8002 B15R1.8290 Cc1cccc(c1CNOCC(=O)O)I 269956a_100000106656_100010150146 [0,0,0,0,0,2|1,0,0]=3 8003 B15R1.8290 Cc1cccc(c1COCCC(=O)N)Br 34a_100000757172_100010146847 [0,0,0,0,0,2|2,0,0]=4 8004 B15R1.8290 Cc1cccc(c1COCCC(=O)N)Br 7a_100000757172_100010146847 [0,0,0,0,0,2|2,0,0]=4 8005 B15R1.8290 Cc1cccc(c1COCCC(=O)N)C 34a_100000757172_100000758300 [0,0,0,0,0,2|1,0,0]=3 8006 B15R1.8290 Cc1cccc(c1COCCC(=O)N)C 34a_100011933981_100000731001 [0,0,0,0,0,2|1,0,0]=3 8007 B15R1.8290 Cc1cccc(c1COCCC(=O)N)C 7a_100000757172_100000758300 [0,0,0,0,0,2|1,0,0]=3 8008 B15R1.8290 Cc1cccc(c1COCCC(=O)N)C 7a_100011933981_100000744528 [0,0,0,0,0,2|1,0,0]=3 8009 B15R1.8290 Cc1cccc(c1COCCC(=O)N)Cl 34a_100000082531_100000731001 [0,0,0,0,0,2|2,0,0]=4 8010 B15R1.8290 Cc1cccc(c1COCCC(=O)N)Cl 7a_100000082531_100000744528 [0,0,0,0,0,2|2,0,0]=4 8011 B15R1.8290 Cc1cccc(c1COCCC(=O)N)F 34a_100000057874_100000731001 [0,0,0,0,0,2|2,0,0]=4 8012 B15R1.8290 Cc1cccc(c1COCCC(=O)N)F 34a_100000757172_100009814554 [0,0,0,0,0,2|2,0,0]=4 8013 B15R1.8290 Cc1cccc(c1COCCC(=O)N)F 7a_100000057874_100000744528 [0,0,0,0,0,2|2,0,0]=4 8014 B15R1.8290 Cc1cccc(c1COCCC(=O)N)F 7a_100000757172_100009814554 [0,0,0,0,0,2|2,0,0]=4 8015 B15R1.8290 Cc1cccc(c1COCCC(=O)N)I 34a_100000757172_100010150146 [0,0,0,0,0,2|2,0,0]=4 8016 B15R1.8290 Cc1cccc(c1COCCC(=O)N)I 7a_100000757172_100010150146 [0,0,0,0,0,2|2,0,0]=4 8017 B15R1.8290 Cc1cccc(c1COCCC(C)O)C 34a_100011933981_100012276601 [0,0,0,0,0,2|1,0,1]=4 8018 B15R1.8290 Cc1cccc(c1COCCC(C)O)C 7a_100011933981_100012276601 [0,0,0,0,0,2|1,0,1]=4 8019 B15R1.8290 Cc1cccc(c1CSCCC(=O)N)C 62a_100000744528_100000758300 [0,0,0,0,0,2|1,1,0]=4 8020 B15R1.8290 Cc1cccc(c1CSCCC(=O)N)C 62a_100000758300_100000744528 [0,0,0,0,0,2|1,1,0]=4 8021 B15R1.8290 Cc1cccc(c1NCCCC(=O)N)C 34a_100000185769_100102525003 [0,0,0,0,0,2|2,0,0]=4 8022 B15R1.8290 Cc1cccc(c1NCCOC(=O)N)C 34a_100000185769_200011214921 [0,0,0,0,0,2|2,0,0]=4 8023 B15R1.8290 Cc1cccc(c1OC/C=C/B(O)O)C 34a_100000210341_100016262062 [0,0,0,0,0,2|1,0,1]=4 8024 B15R1.8290 Cc1cccc(c1OC/C=C/B(O)O)C 7a_100000210341_100016262062 [0,0,0,0,0,2|1,0,1]=4 8025 B15R1.8290 Cc1cccc(c1OCCC=C(F)F)C 34a_100000210341_200009816681 [0,0,0,0,0,2|2,0,0]=4 8026 B15R1.8290 Cc1cccc(c1OCCC=C(F)F)C 7a_100000210341_200009816681 [0,0,0,0,0,2|2,0,0]=4 8027 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)Br 34a_100009817157_100102525003 [0,0,0,0,0,2|2,0,0]=4 8028 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)Br 7a_100009817157_100102525003 [0,0,0,0,0,2|2,0,0]=4 8029 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)C 34a_100000210341_100102525003 [0,0,0,0,0,2|1,0,0]=3 8030 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)C 7a_100000210341_100102525003 [0,0,0,0,0,2|1,0,0]=3 8031 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)Cl 34a_100000033731_100102525003 [0,0,0,0,0,2|2,0,0]=4 8032 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)Cl 7a_100000033731_100102525003 [0,0,0,0,0,2|2,0,0]=4 8033 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)F 34a_100011659162_100102525003 [0,0,0,0,0,2|2,0,0]=4 8034 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)F 7a_100011659162_100102525003 [0,0,0,0,0,2|2,0,0]=4 8035 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)N 34a_100000756359_100102525003 [0,0,0,0,0,2|2,0,0]=4 8036 B15R1.8290 Cc1cccc(c1OCCCC(=O)N)N 7a_100000756359_100102525003 [0,0,0,0,0,2|2,0,0]=4 8037 B15R1.8290 Cc1cccc(c1OCCCC(C)O)C 34a_100000210341_200000718107 [0,0,0,0,0,2|1,0,1]=4 8038 B15R1.8290 Cc1cccc(c1OCCCC(C)O)C 7a_100000210341_200000718107 [0,0,0,0,0,2|1,0,1]=4 8039 B15R1.8290 Cc1cccc(c1OCCNC(=O)N)Br 7a_100009817157_200000034859 [0,0,0,0,0,2|2,0,0]=4 8040 B15R1.8290 Cc1cccc(c1OCCNC(=O)N)C 7a_100000210341_200000034859 [0,0,0,0,0,2|1,0,0]=3 8041 B15R1.8290 Cc1cccc(c1OCCNC(=O)N)Cl 7a_100000033731_200000034859 [0,0,0,0,0,2|2,0,0]=4 8042 B15R1.8290 Cc1cccc(c1OCCNC(=O)N)F 7a_100011659162_200000034859 [0,0,0,0,0,2|2,0,0]=4 8043 B15R1.8290 Cc1cccc(c1OCCNC(=O)N)N 7a_100000756359_200000034859 [0,0,0,0,0,2|2,0,0]=4 8044 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)Br 34a_100009817157_200011214921 [0,0,0,0,0,2|2,0,0]=4 8045 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)Br 7a_100009817157_200011214921 [0,0,0,0,0,2|2,0,0]=4 8046 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)C 34a_100000210341_200011214921 [0,0,0,0,0,2|1,0,0]=3 8047 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)C 7a_100000210341_200011214921 [0,0,0,0,0,2|1,0,0]=3 8048 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)Cl 34a_100000033731_200011214921 [0,0,0,0,0,2|2,0,0]=4 8049 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)Cl 7a_100000033731_200011214921 [0,0,0,0,0,2|2,0,0]=4 8050 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)F 34a_100011659162_200011214921 [0,0,0,0,0,2|2,0,0]=4 8051 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)F 7a_100011659162_200011214921 [0,0,0,0,0,2|2,0,0]=4 8052 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)N 34a_100000756359_200011214921 [0,0,0,0,0,2|2,0,0]=4 8053 B15R1.8290 Cc1cccc(c1OCCOC(=O)N)N 7a_100000756359_200011214921 [0,0,0,0,0,2|2,0,0]=4 8054 B15R1.8290 Cc1cccc(c1SCCCC(=O)N)C 62a_100000033847_100102525003 [0,0,0,0,0,2|1,1,0]=4 8055 B15R1.8290 Cc1cccc(c1SCCCC(=O)N)C 62a_100102525003_100000033847 [0,0,0,0,0,2|1,1,0]=4 8056 B15R1.8290 Cc1cccc(c1SCCNC(=O)N)C 62a_100000033847_200000034859 [0,0,0,0,0,2|1,1,0]=4 8057 B15R1.8290 Cc1cccc(c1SCCNC(=O)N)C 62a_200000034859_100000033847 [0,0,0,0,0,2|1,1,0]=4 8058 B15R1.8290 Cc1cccc(c1SCCOC(=O)N)C 62a_100000033847_200011214921 [0,0,0,0,0,2|1,1,0]=4 8059 B15R1.8290 Cc1cccc(c1SCCOC(=O)N)C 62a_200011214921_100000033847 [0,0,0,0,0,2|1,1,0]=4 8060 B15R1.8290 Cc1ccnc(c1OCCCC(=O)N)C 34a_100011934651_100102525003 [0,0,0,0,0,2|2,0,0]=4 8061 B15R1.8290 Cc1ccnc(c1OCCCC(=O)N)C 7a_100011934651_100102525003 [0,0,0,0,0,2|2,0,0]=4 8062 B15R1.8290 Cc1ccnc(c1OCCNC(=O)N)C 7a_100011934651_200000034859 [0,0,0,0,0,2|2,0,0]=4 8063 B15R1.8290 Cc1ccnc(c1OCCOC(=O)N)C 34a_100011934651_200011214921 [0,0,0,0,0,2|2,0,0]=4 8064 B15R1.8290 Cc1ccnc(c1OCCOC(=O)N)C 7a_100011934651_200011214921 [0,0,0,0,0,2|2,0,0]=4 8065 B15R1.8290 O=C(O)CONCc1c(cccc1Br)Cl 269956a_100000106656_100010138402 [0,0,0,0,0,2|2,0,0]=4 8066 B15R1.8290 O=C(O)CONCc1c(cccc1Br)F 269956a_100000106656_100012145669 [0,0,0,0,0,2|2,0,0]=4 8067 B15R1.8290 O=C(O)CONCc1c(cccc1Cl)Cl 269956a_100000106656_100000187851 [0,0,0,0,0,2|2,0,0]=4 8068 B15R1.8290 O=C(O)CONCc1c(cccc1Cl)F 269956a_100000106656_100000187852 [0,0,0,0,0,2|2,0,0]=4 8069 B15R1.8290 O=C(O)CONCc1c(cccc1F)F 269956a_100000106656_100000709179 [0,0,0,0,0,2|2,0,0]=4 8070 B15R1.8290 O=C(O)CONCc1c(cccc1I)Br 269956a_100000106656_100010146611 [0,0,0,0,0,2|2,0,0]=4 8071 B15R1.8290 O=C(O)CONCc1c(cccc1I)F 269956a_100000106656_100010149602 [0,0,0,0,0,2|2,0,0]=4