0 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 C#CC(C)NCc1cccnc1 2230a_100000707721_100000741622 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.27 C#CC(C)NCc1cccnc1 270004a_100000707721_100000209961 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 C#CC(C)NCc1cccnc1 34a_100000707721_100000733263 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.27 C#CC(C)NCc1ccncc1 2230a_100000707721_100015193705 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.27 C#CC(C)SCc1cccnc1 62a_200000035995_100000741622 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.27 C#CC(C)SCc1ccncc1 62a_200000035995_100015193705 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.27 C#C[C@@H](C)OCc1cccnc1 34a_100009815206_100000733263 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.27 C#C[C@@H](C)OCc1cccnc1 7a_100009815206_100000741622 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.27 C#C[C@@H](C)OCc1ccncc1 7a_100009815206_100015193705 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.27 C=CC(C)OCc1cccnn1 34a_100000695699_100016990269 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.27 C=CC(C)OCc1cnccn1 34a_100000695699_100016995436 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.27 C=CC(C)OCc1cncnc1 34a_100000695699_100015196519 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.27 C=CC(C)OCc1ncccn1 34a_100000695699_100000703007 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.27 C=CC(C)SCc1cccnn1 62a_100011215867_100016990269 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.27 C=CC(C)SCc1cnccn1 62a_100011215867_100016995436 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.27 C=CC(C)SCc1cncnc1 62a_100011215867_100015196519 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.27 C=CC(C)SCc1ncccn1 62a_100011215867_100000703007 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,0,0,0,0,0|3,0,0]=3 53 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,0,0,0,0|2,0,1]=3 64 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,0,0,0,0,0|3,0,1]=4 65 B12R1.27 CC(C#N)NCc1cccnc1 2230a_100000737613_100000741622 [0,0,0,0,0,0|3,0,1]=4 66 B12R1.27 CC(C#N)NCc1ccncc1 2230a_100000737613_100015193705 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,0,0,0,0|2,0,1]=3 68 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.27 CC(C#N)OCc1cccnc1 34a_100011218135_100000733263 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,0,0,0,0|2,0,1]=3 72 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000703298_100000741622 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000741622_100000703298 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.27 CC(C#N)SCc1ccncc1 62a_100000703298_100015193705 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.27 CC(C#N)SCc1ccncc1 62a_100015193705_100000703298 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,0,0,0,0,0|2,0,1]=3 82 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,0,0,0,0,0|2,0,1]=3 83 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,0,0,0,0|1,0,2]=3 92 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,0,0,0,0|1,0,2]=3 93 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,0,0,0,0|1,0,2]=3 94 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,0,0,0,0|1,0,2]=3 95 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,0,0,0,0|1,0,2]=3 96 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,0,0,0,0,0|2,0,2]=4 98 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,0,0,0,0,0|2,0,2]=4 99 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,0|2,0,2]=4 104 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,0|2,0,2]=4 105 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,0,0,0,0|2,0,1]=3 106 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,0,0,0,0|2,0,1]=3 107 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,0,0,0,0|2,0,1]=3 108 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,0,0,0,0|2,0,1]=3 113 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,0,0,0,0,0|3,0,1]=4 118 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,0,0,0,0|2,0,1]=3 120 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,0,0,0,0|2,0,1]=3 121 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,0,0,0,0|2,0,1]=3 122 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,0,0,0,0|2,0,1]=3 123 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,0,0|2,0,1]=3 133 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,0,0|2,0,1]=3 134 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,0,0,0,0|2,0,1]=3 139 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,0,0,0,0|2,0,1]=3 140 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,0,0,0,0|3,0,1]=4 150 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,0,0,0,0,0|2,0,1]=3 152 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,0,0,0,0,0|2,0,1]=3 153 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,0,0,0,0,0|2,0,1]=3 154 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,0,0,0,0,0|2,0,1]=3 155 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,0,0,0,0,0|2,0,1]=3 156 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,0,0,0,0,0|2,0,1]=3 157 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,0,0,0,0,0|3,0,1]=4 160 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,0,0,0,0,0|3,0,1]=4 161 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,0,0,0,0,0|3,0,1]=4 162 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,0,0,0,0,0|3,0,1]=4 172 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,0,0,0,0,0|2,0,1]=3 174 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,0,0,0,0,0|2,0,1]=3 175 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,0,0,0,0,0|3,0,1]=4 177 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,0,0,0,0|2,0,1]=3 178 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,0,0,0,0|2,0,1]=3 179 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,0,0,0,0|2,0,1]=3 180 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,0,0,0,0,0|3,0,1]=4 181 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,0,0,0,0,0|3,0,1]=4 182 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,0,0,0,0,0|3,0,1]=4 183 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,0,0,0,0|2,0,1]=3 184 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,0,0,0,0|2,0,1]=3 185 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,0,0,0,0,0|3,0,1]=4 186 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,0,0,0,0,0|3,0,1]=4 187 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,0,0,0,0,0|3,0,1]=4 188 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,0,0,0,0,0|3,0,1]=4 189 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,0,0,0,0,0|3,0,1]=4 190 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,0,0,0,0,0|3,0,1]=4 191 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,0,0,0,0,0|2,0,1]=3 192 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,0,0,0,0,0|3,0,1]=4 193 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,0,0,0,0,0|3,0,1]=4 194 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,0,0,0,0,0|3,0,1]=4 195 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,0|3,0,1]=4 196 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,0|3,0,1]=4 197 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,0|3,0,1]=4 198 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,0|3,0,1]=4 199 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,0|2,0,0]=2 200 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,0|2,0,0]=2 201 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,0|2,0,0]=2 202 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,0|3,0,0]=3 204 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,0|3,0,0]=3 205 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,0|3,0,0]=3 206 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,0|2,0,2]=4 207 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,0|2,0,2]=4 208 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,0|3,0,0]=3 209 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,0|3,0,0]=3 210 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,0|3,0,0]=3 211 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,0|3,0,0]=3 212 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,0,0,0,0,0|4,0,0]=4 213 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,0|2,0,0]=2 219 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,0|2,0,0]=2 220 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,0|2,0,0]=2 221 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,0|2,0,0]=2 222 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,0,0,0,0|1,0,2]=3 223 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,0,0,0,0|1,0,2]=3 224 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,0,0,0,0|1,0,2]=3 225 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,0,0,0,0,0|2,0,2]=4 226 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,0,0,0,0,0|2,0,2]=4 227 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,0,0,0,0,0|2,0,2]=4 228 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,0,0,0,0|1,0,2]=3 229 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,0,0,0,0|1,0,2]=3 230 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,0,0,0,0,0|2,0,2]=4 231 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,0,0,0,0,0|2,0,2]=4 232 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,0,0,0,0,0|2,0,2]=4 233 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,0,0,0,0,0|2,0,2]=4 234 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,0,0,0,0,0|2,0,2]=4 235 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,0,0,0,0,0|2,0,2]=4 236 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,0,0,0,0,0|2,0,1]=3 237 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,0,0,0,0,0|2,0,1]=3 238 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,0,0,0,0,0|3,0,1]=4 239 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,0,0,0,0,0|3,0,1]=4 240 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,0,0,0,0,0|3,0,1]=4 241 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,0,0,0,0,0|3,0,1]=4 242 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,0,0,0,0,0|3,0,1]=4 243 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,0,0,0,0|1,0,2]=3 244 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,0,0,0,0|1,0,2]=3 245 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,0,0,0,0|1,0,2]=3 246 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,0,0,0,0,0|2,0,2]=4 247 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,0,0,0,0,0|2,0,2]=4 248 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,0,0,0,0,0|2,0,2]=4 249 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,0,0,0,0,0|2,0,2]=4 250 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,0,0,0,0,0|2,0,2]=4 251 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,0,0,0,0,0|2,0,2]=4 252 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,0,0,0,0,0|2,0,2]=4 253 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,0,0,0,0,0|2,0,2]=4 254 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,0,0,0,0|1,0,2]=3 255 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,0,0,0,0|1,0,2]=3 256 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,0,0,0,0,0|2,0,2]=4 257 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,0,0,0,0,0|2,0,2]=4 258 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,0,0,0,0,0|2,0,2]=4 259 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,0,0,0,0,0|2,0,2]=4 260 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,0,0,0,0,0|2,0,2]=4 261 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,0,0,0,0,0|2,0,2]=4 262 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,0,0,0,0,0|3,0,1]=4 263 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,0,0,0,0,0|3,0,1]=4 264 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,0|2,0,2]=4 265 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,0|1,0,3]=4 266 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,0,0,0,0|2,0,2]=4 267 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,0,0,0,0|2,0,2]=4 268 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,0,0,0,0|2,0,2]=4 269 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,0,0,0,0|2,0,2]=4 270 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,0,0,0,0|2,0,2]=4 271 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,0,0,0,0|2,0,2]=4 272 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,0,0,0,0|2,0,2]=4 273 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,0,0,0,0|2,0,2]=4 274 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,0,0,0,0|2,0,2]=4 275 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,0,0,0,0|2,0,2]=4 276 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,0,0,0,0,0|3,0,1]=4 277 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,0,0,0,0,0|3,0,1]=4 278 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,0,0,0,0,0|3,0,1]=4 279 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,0,0,0,0,0|3,0,1]=4 280 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,0,0,0,0,0|3,0,1]=4 281 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,0,0,0,0,0|2,0,1]=4 282 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,0,0,0,0,0|2,0,1]=4 283 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,0,0,0,0,0|2,0,1]=4 284 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,0,0,0,0,0|2,0,1]=4 285 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,0,0,0,0,0|2,0,1]=4 286 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,0,0,0,0,0|2,0,1]=4 287 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,0,0,0,0,0|2,0,1]=4 292 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|2,0,1]=4 295 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|2,0,0]=3 301 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|2,0,0]=3 302 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|2,0,0]=3 306 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|2,0,0]=3 307 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|2,0,0]=3 315 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|2,0,0]=3 316 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|2,0,0]=3 317 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [1,0,0,0,0,0|3,0,0]=4 318 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|2,0,0]=3 323 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|2,0,0]=3 324 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|2,0,0]=3 325 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|2,0,0]=3 329 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [1,0,0,0,0,0|3,0,0]=4 331 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|2,0,1]=4 336 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 337 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 338 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|2,0,1]=4 339 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|2,0,1]=4 340 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,0,0,0|2,0,1]=4 343 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,0,0,0|2,0,1]=4 344 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,0,0,0|2,0,1]=4 345 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,0,0,0|2,0,1]=4 346 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,0,0,0,0|2,0,1]=4 347 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,0,0,0,0|2,0,1]=4 348 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,0,0,0|2,0,1]=4 354 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,0,0,0|2,0,1]=4 355 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 356 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,0,0,0|2,0,1]=4 357 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,0,0,0|2,0,1]=4 358 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 359 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|2,0,1]=4 360 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|2,0,1]=4 361 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,0,0,0|2,0,1]=4 362 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|2,0,0]=3 365 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,0,0,0,0|3,0,0]=4 374 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|2,0,0]=3 386 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|2,0,0]=3 387 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|2,0,0]=3 388 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,0,0,0,0,0|3,0,0]=4 391 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|3,0,0]=4 406 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|2,0,0]=3 408 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|2,0,0]=3 409 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,0,0,0,0,0|3,0,0]=4 418 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,0,0,0,0|3,0,0]=4 419 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,0,0,0,0|3,0,0]=4 422 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,0,0,0,0|3,0,0]=4 423 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,0,0,0,0|3,0,0]=4 424 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,0,0,0,0|3,0,0]=4 425 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,0,0,0,0|3,0,0]=4 426 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,0,0,0,0|3,0,0]=4 427 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,0,0,0,0|2,0,1]=4 428 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,0,0,0,0,0|2,0,1]=4 429 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,0,0,0,0,0|2,0,1]=4 430 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,0,0,0,0,0|2,0,1]=4 431 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,0,0,0,0,0|2,0,1]=4 432 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,0,0,0,0|2,0,1]=4 435 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,0,0,0,0,0|2,0,1]=4 436 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,0,0,0,0,0|2,0,1]=4 437 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,0,0,0,0,0|2,0,1]=4 438 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,0,0,0,0,0|2,0,1]=4 439 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,0,0,0,0,0|2,0,1]=4 440 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,0,0,0,0|2,0,1]=4 442 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,0,0,0,0,0|2,0,1]=4 443 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,0,0,0,0,0|2,0,1]=4 444 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,0,0,0,0,0|2,0,1]=4 445 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,0,0,0,0,0|2,0,1]=4 446 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,0,0,0,0,0|2,0,1]=4 447 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,0,0,0,0,0|2,0,1]=4 448 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,0,0,0,0,0|2,0,1]=4 449 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,0,0,0,0,0|2,0,1]=4 450 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,0,0,0,0,0|2,0,1]=4 451 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|1,0,0]=2 453 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|1,0,0]=2 454 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [1,0,0,0,0,0|3,0,0]=4 455 B11R1.28 O=CCNCc1cncnc1 2230a_100011243677_200015260668 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|1,0,0]=2 457 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|1,0,0]=2 458 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|1,0,0]=2 459 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|1,0,0]=2 460 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,0|2,0,0]=3 461 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,0|2,0,0]=3 462 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,0|2,0,0]=3 463 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,0|2,0,0]=3 464 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [1,0,0,0,0,0|3,0,0]=4 466 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,0|2,0,0]=3 467 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,0|2,0,0]=3 468 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.28 O=CCSCc1cncnc1 62a_100015196519_200015260668 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.28 O=CCSCc1cncnc1 62a_200015260668_100015196519 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [1,0,0,0,0,0|3,0,0]=4 473 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [1,0,0,0,0,0|3,0,0]=4 474 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,0,0,0,0|1,0,2]=4 475 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,0,0,0,0|1,0,2]=4 476 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,0,0,0,0|1,0,2]=4 477 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,0,0,0,0|1,0,2]=4 478 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,0,0,0,0|1,0,2]=4 479 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,0,0,0,0|1,0,2]=4 480 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,0,0,0,0|1,0,2]=4 481 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,0,0,0,0|1,0,2]=4 482 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,0,0,0,0|1,0,2]=4 483 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,0,0,0,0|1,0,2]=4 484 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,0,0,0,0|1,0,2]=4 485 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,0,0,0,0|1,0,2]=4 486 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,0,0,0,0|1,0,2]=4 487 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,0,0,0,0|1,0,2]=4 488 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,0,0,0,0|1,0,2]=4 489 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|2,0,0]=3 490 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|2,0,0]=3 491 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 495 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,0,0,0,0|3,0,0]=4 496 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,0,0,0,0|3,0,0]=4 497 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|2,0,0]=3 498 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|2,0,0]=3 499 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,0,0,0,0,0|3,0,0]=4 500 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,0,0,0,0,0|3,0,0]=4 502 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 503 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 504 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|3,0,0]=4 505 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|3,0,0]=4 506 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|2,0,0]=3 507 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|2,0,0]=3 508 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,0,0,0,0,0|3,0,0]=4 509 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,0,0,0,0|3,0,0]=4 513 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,0,0,0,0|3,0,0]=4 514 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,0,0,0,0|3,0,0]=4 515 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,0,0,0,0|3,0,0]=4 516 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,0|1,0,1]=3 517 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,0|1,0,1]=3 518 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,0|1,0,1]=3 519 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [1,0,0,0,0,0|2,0,1]=4 520 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [1,0,0,0,0,0|2,0,1]=4 521 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [1,0,0,0,0,0|2,0,1]=4 522 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,0|1,0,1]=3 523 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,0|1,0,1]=3 524 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [1,0,0,0,0,0|2,0,1]=4 525 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [1,0,0,0,0,0|2,0,1]=4 526 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [1,0,0,0,0,0|2,0,1]=4 527 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [1,0,0,0,0,0|2,0,1]=4 528 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [1,0,0,0,0,0|2,0,1]=4 529 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [1,0,0,0,0,0|2,0,1]=4 530 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [1,0,0,0,0,0|2,0,1]=4 531 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,0,0,0,0,0|2,0,1]=4 532 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,0,0,0,0,0|2,0,1]=4 533 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [1,0,0,0,0,0|2,0,1]=4 534 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [1,0,0,0,0,0|2,0,1]=4 535 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|0,0,3]=4 536 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|0,0,3]=4 537 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|0,0,1]=2 538 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|0,0,1]=2 539 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,0|1,0,1]=3 540 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,0|1,0,1]=3 541 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,0|1,0,1]=3 542 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,0|1,0,1]=3 543 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,0|1,0,1]=3 544 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,0|1,0,1]=3 545 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|1,0,1]=3 546 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,0|2,0,1]=4 547 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,0|2,0,1]=4 548 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|1,0,1]=3 549 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,0|2,0,1]=4 550 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,0|2,0,1]=4 551 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 552 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 553 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 554 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|1,0,1]=3 555 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 556 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 557 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 558 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,0|2,0,1]=4 559 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,0|2,0,1]=4 560 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,0|2,0,1]=4 561 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,0|2,0,1]=4 562 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 563 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 564 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 565 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,0|2,0,1]=4 566 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|2,0,1]=4 567 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,0,0,0,0|0,0,3]=4 568 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,0,0,0,0,0|1,0,1]=3 569 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,0,0,0,0,0|1,0,1]=3 570 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,0,0,0,0,0|1,0,1]=3 571 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [1,0,0,0,0,0|2,0,1]=4 572 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [1,0,0,0,0,0|2,0,1]=4 573 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [1,0,0,0,0,0|2,0,1]=4 574 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,0,0,0,0,0|1,0,1]=3 575 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,0,0,0,0,0|1,0,1]=3 576 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [1,0,0,0,0,0|2,0,1]=4 577 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [1,0,0,0,0,0|2,0,1]=4 578 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [1,0,0,0,0,0|2,0,1]=4 579 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [1,0,0,0,0,0|2,0,1]=4 580 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [1,0,0,0,0,0|2,0,1]=4 581 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [1,0,0,0,0,0|2,0,1]=4 582 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,0,0,0,0,0|1,0,1]=3 583 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,0,0,0,0,0|1,0,1]=3 584 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,0,0,0,0,0|1,0,1]=3 585 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,0,0,0,0,0|1,0,1]=3 586 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,0,0,0,0,0|1,0,1]=3 587 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [1,0,0,0,0,0|2,0,1]=4 588 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [1,0,0,0,0,0|2,0,1]=4 589 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [1,0,0,0,0,0|2,0,1]=4 590 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [1,0,0,0,0,0|2,0,1]=4 591 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [1,0,0,0,0,0|2,0,1]=4 592 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [1,0,0,0,0,0|2,0,1]=4 593 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [1,0,0,0,0,0|2,0,1]=4 594 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [1,0,0,0,0,0|2,0,1]=4 595 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,0,0,0,0,0|1,0,1]=3 596 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,0,0,0,0,0|1,0,1]=3 597 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,0,0,0,0,0|1,0,1]=3 598 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,0,0,0,0,0|2,0,1]=4 599 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,0,0,0,0,0|2,0,1]=4 600 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,0,0,0,0,0|1,0,1]=3 601 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,0,0,0,0,0|1,0,1]=3 602 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [1,0,0,0,0,0|2,0,1]=4 603 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [1,0,0,0,0,0|2,0,1]=4 604 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [1,0,0,0,0,0|2,0,1]=4 605 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [1,0,0,0,0,0|2,0,1]=4 606 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [1,0,0,0,0,0|2,0,1]=4 607 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [1,0,0,0,0,0|2,0,1]=4 608 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,0|0,0,3]=4 609 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,0,0,0,0|1,0,1]=3 610 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,0,0,0,0|1,0,1]=3 611 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,0,0,0,0|1,0,1]=3 612 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [1,0,0,0,0,0|2,0,1]=4 613 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [1,0,0,0,0,0|2,0,1]=4 614 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [1,0,0,0,0,0|2,0,1]=4 615 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,0,0,0,0|1,0,1]=3 616 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,0,0,0,0|1,0,1]=3 617 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,0,0,0,0,0|2,0,1]=4 618 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,0,0,0,0,0|2,0,1]=4 619 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [1,0,0,0,0,0|2,0,1]=4 620 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [1,0,0,0,0,0|2,0,1]=4 621 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [1,0,0,0,0,0|2,0,1]=4 622 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [1,0,0,0,0,0|2,0,1]=4 623 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,0,0,0,0,0|1,0,1]=3 624 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,0,0,0,0,0|1,0,1]=3 625 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,0,0,0,0,0|1,0,1]=3 626 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,0,0,0,0,0|1,0,1]=3 627 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,0,0,0,0,0|2,0,1]=4 628 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,0,0,0,0,0|2,0,1]=4 629 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,0,0,0,0,0|2,0,1]=4 630 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,0,0,0,0,0|2,0,1]=4 631 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [1,0,0,0,0,0|2,0,1]=4 632 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [1,0,0,0,0,0|2,0,1]=4 633 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [1,0,0,0,0,0|2,0,1]=4 634 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [1,0,0,0,0,0|2,0,1]=4 635 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [1,0,0,0,0,0|2,0,1]=4 636 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [1,0,0,0,0,0|2,0,1]=4 637 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [1,0,0,0,0,0|2,0,1]=4 638 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [1,0,0,0,0,0|2,0,1]=4 639 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,0,0,0,0,0|2,0,1]=4 640 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,0,0,0,0,0|2,0,1]=4 641 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,0,0,0,0,0|1,0,1]=3 642 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,0,0,0,0,0|1,0,1]=3 643 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,0,0,0,0,0|2,0,1]=4 644 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,0,0,0,0,0|2,0,1]=4 645 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [1,0,0,0,0,0|2,0,1]=4 646 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [1,0,0,0,0,0|2,0,1]=4 647 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [1,0,0,0,0,0|2,0,1]=4 648 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [1,0,0,0,0,0|2,0,1]=4 649 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,0,0,0,0|1,0,1]=3 650 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,0,0,0,0|1,0,1]=3 651 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,0,0,0,0|1,0,1]=3 652 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [1,0,0,0,0,0|2,0,1]=4 653 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [1,0,0,0,0,0|2,0,1]=4 654 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [1,0,0,0,0,0|2,0,1]=4 655 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,0,0,0,0|1,0,1]=3 656 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,0,0,0,0|1,0,1]=3 657 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,0,0,0,0,0|2,0,1]=4 658 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,0,0,0,0,0|2,0,1]=4 659 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [1,0,0,0,0,0|2,0,1]=4 660 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [1,0,0,0,0,0|2,0,1]=4 661 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [1,0,0,0,0,0|2,0,1]=4 662 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [1,0,0,0,0,0|2,0,1]=4 663 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,0,0,0,0,0|3,0,0]=4 668 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,1]=4 669 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 671 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,1]=4 672 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,1]=4 673 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|2,0,1]=4 674 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|2,0,1]=4 675 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|2,0,1]=4 676 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|2,0,1]=4 677 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [1,0,0,0,0,0|3,0,0]=4 678 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [1,0,0,0,0,0|3,0,0]=4 679 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [1,0,0,0,0,0|3,0,0]=4 680 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|0,0,3]=4 681 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|0,0,3]=4 682 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|0,0,1]=2 683 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,0|1,0,1]=3 684 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,0|1,0,1]=3 685 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,0|1,0,1]=3 686 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|1,0,1]=3 687 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,0|2,0,1]=4 688 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,0|2,0,1]=4 689 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|1,0,1]=3 690 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,0|2,0,1]=4 691 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,0|2,0,1]=4 692 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,1,0,0,0,0|2,0,1]=4 701 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,1,0,0,0,0|2,0,0]=3 702 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.11 C=CC(O)CN(C)c1ccccc1 2230a_100000210012_100000730141 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.11 C=CC(O)CN(C)c1ccccc1 34a_100000210012_100000730141 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,1,0,0,0,0|2,0,1]=4 707 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,0,0,0,0|1,0,2]=4 715 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,0|1,0,2]=4 716 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,0|1,0,2]=4 717 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,0,0,0,0|1,0,2]=4 718 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,0,0,0,0|1,0,2]=4 720 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,0,0,0,0|1,0,2]=4 721 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,0,0,0,0|1,0,2]=4 722 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,0,0,0,0|1,0,2]=4 723 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,1,0,0,0,0|1,0,2]=4 724 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,1,0,0,0,0|2,0,1]=4 739 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,1,0,0,0,0|2,0,1]=4 740 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,1,0,0,0,0|1,0,2]=4 742 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,1,0,0,0,0|2,0,1]=4 745 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,0|0,0,3]=4 749 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,1,0,0,0,0|1,0,2]=4 750 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,1,0,0,0,0|1,0,2]=4 751 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,1,0,0,0,0|1,0,2]=4 752 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 2230a_100000707721_100011217064 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 270004a_100000707721_100000186029 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000174875_200000035995 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000707721_100000189115 [0,1,0,0,0,0|2,0,1]=4 756 B13R1.14 C#CC(C)NCc1ccc(cc1)C 2230a_100000707721_100000210814 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.14 C#CC(C)NCc1ccc(cc1)C 270004a_100000707721_100000211033 [0,1,0,0,0,0|2,0,1]=4 758 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000174908_200000035995 [0,1,0,0,0,0|2,0,1]=4 759 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000707721_100000210814 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 2230a_100000707721_100000694040 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 270004a_100000707721_100000189385 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000174871_200000035995 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000707721_100000694040 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.14 C#CC(C)NCc1ccc(cc1)F 2230a_100000707721_100000198546 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.14 C#CC(C)NCc1ccc(cc1)F 270004a_100000707721_100000210084 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000174882_200000035995 [0,1,0,0,0,0|2,0,1]=4 767 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000707721_100000198546 [0,1,0,0,0,0|2,0,1]=4 768 B13R1.14 C#CC(C)NCc1ccc(cc1)I 2230a_100000707721_100000189116 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100000707721_100000189116 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100016989417_200000035995 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.14 C#CC(C)NCc1ccc(cc1)O 34a_100000185549_200000035995 [0,1,0,0,0,0|2,0,1]=4 772 B13R1.14 C#CC(C)OCc1ccc(cc1)Br 34a_100000695286_200000035995 [0,1,0,0,0,0|2,0,1]=4 773 B13R1.14 C#CC(C)OCc1ccc(cc1)C 34a_100011215236_200000035995 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 34a_100000211118_200000035995 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.14 C#CC(C)OCc1ccc(cc1)F 34a_100000210977_200000035995 [0,1,0,0,0,0|2,0,1]=4 776 B13R1.14 C#CC(C)OCc1ccc(cc1)I 34a_100000690907_200000035995 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.14 C#CC(C)OCc1ccc(cc1)N 34a_100011215238_200000035995 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.14 C#CC(C)SCc1ccc(cc1)Br 62a_200000035995_100000189115 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.14 C#CC(C)SCc1ccc(cc1)C 62a_200000035995_100000210814 [0,1,0,0,0,0|2,0,1]=4 780 B13R1.14 C#CC(C)SCc1ccc(cc1)Cl 62a_200000035995_100000187161 [0,1,0,0,0,0|2,0,1]=4 781 B13R1.14 C#CC(C)SCc1ccc(cc1)F 62a_200000035995_100000187164 [0,1,0,0,0,0|2,0,1]=4 782 B13R1.14 C#CC(C)SCc1ccc(cc1)I 62a_200000035995_100000189116 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 34a_100009815206_100000189115 [0,1,0,0,0,0|2,0,1]=4 784 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 7a_100009815206_100011217064 [0,1,0,0,0,0|2,0,1]=4 785 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 34a_100009815206_100000210814 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 7a_100009815206_100000210814 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 34a_100009815206_100000694040 [0,1,0,0,0,0|2,0,1]=4 788 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 7a_100009815206_100000187161 [0,1,0,0,0,0|2,0,1]=4 789 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 34a_100009815206_100000198546 [0,1,0,0,0,0|2,0,1]=4 790 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 7a_100009815206_100000198546 [0,1,0,0,0,0|2,0,1]=4 791 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 34a_100009815206_100000189116 [0,1,0,0,0,0|2,0,1]=4 792 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 7a_100009815206_100000189116 [0,1,0,0,0,0|2,0,1]=4 793 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,1,0,0,0,0|2,0,1]=4 794 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,1,0,0,0,0|2,0,1]=4 795 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,1,0,0,0,0|2,0,1]=4 796 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,1,0,0,0,0|2,0,1]=4 797 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,1,0,0,0,0|2,0,1]=4 798 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,1,0,0,0,0|2,0,0]=3 799 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,1,0,0,0,0|2,0,0]=3 803 B13R1.14 C=CC(C)OCc1ccc(cn1)Br 34a_100000695699_100000702658 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.14 C=CC(C)OCc1ccc(cn1)C 34a_100000695699_100000691093 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.14 C=CC(C)OCc1ccc(cn1)Cl 34a_100000695699_100012066911 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.14 C=CC(C)OCc1ccc(cn1)F 34a_100000695699_100000703193 [0,1,0,0,0,0|3,0,0]=4 807 B13R1.14 C=CC(C)OCc1ccc(nc1)Br 34a_100000695699_100009831999 [0,1,0,0,0,0|3,0,0]=4 808 B13R1.14 C=CC(C)OCc1ccc(nc1)C 34a_100000695699_100016987292 [0,1,0,0,0,0|3,0,0]=4 809 B13R1.14 C=CC(C)OCc1ccc(nc1)Cl 34a_100000695699_100000735431 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.14 C=CC(C)OCc1ccc(nc1)F 34a_100000695699_100000099788 [0,1,0,0,0,0|3,0,0]=4 811 B13R1.14 C=CC(C)SCc1ccc(cc1)Br 62a_100011215867_100000189115 [0,1,0,0,0,0|2,0,0]=3 812 B13R1.14 C=CC(C)SCc1ccc(cc1)C 62a_100011215867_100000210814 [0,1,0,0,0,0|2,0,0]=3 813 B13R1.14 C=CC(C)SCc1ccc(cc1)Cl 62a_100011215867_100000187161 [0,1,0,0,0,0|2,0,0]=3 814 B13R1.14 C=CC(C)SCc1ccc(cc1)F 62a_100011215867_100000187164 [0,1,0,0,0,0|2,0,0]=3 815 B13R1.14 C=CC(C)SCc1ccc(cc1)I 62a_100011215867_100000189116 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.14 C=CC(C)SCc1ccc(cn1)Br 62a_100011215867_100000702658 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.14 C=CC(C)SCc1ccc(cn1)C 62a_100011215867_100000691093 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.14 C=CC(C)SCc1ccc(cn1)Cl 62a_100011215867_100000697101 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.14 C=CC(C)SCc1ccc(cn1)F 62a_100011215867_100000703193 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.14 C=CC(C)SCc1ccc(nc1)Br 62a_100011215867_100009831999 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.14 C=CC(C)SCc1ccc(nc1)C 62a_100011215867_100016987292 [0,1,0,0,0,0|3,0,0]=4 822 B13R1.14 C=CC(C)SCc1ccc(nc1)Cl 62a_100011215867_100000735431 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.14 C=CC(C)SCc1ccc(nc1)F 62a_100011215867_100000099788 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100000730141 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 34a_100000210018_100000730141 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100000730141 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100000730141 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.14 C=CC(O)CNc1ccc(cc1)F 34a_100000185862_100000730141 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.14 C=CC(O)CNc1ccc(cc1)I 34a_100000185761_100000730141 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,1,0,0,0,0|3,0,0]=4 834 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000730141_100000752885 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000752885_100000730141 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000730141_100000755918 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100000730141 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000211213_100000730141 [0,1,0,0,0,0|3,0,0]=4 849 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000730141_100000211213 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000185761_100000730141 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000730141_100000185761 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000174875_100000184139 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000737613_100011217064 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000174871_100000184139 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000737613_100000694040 [0,1,0,0,0,0|2,0,1]=4 857 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000174882_100000184139 [0,1,0,0,0,0|2,0,1]=4 858 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000737613_100000198546 [0,1,0,0,0,0|2,0,1]=4 859 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100000737613_100000189116 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100016989417_100000184139 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.14 CC(C#N)OCc1ccc(cc1)Br 34a_100011218135_100000189115 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.14 CC(C#N)OCc1ccc(cc1)F 34a_100011218135_100000198546 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.14 CC(C#N)OCc1ccc(cc1)F 7a_100000210977_100000703298 [0,1,0,0,0,0|2,0,1]=4 866 B13R1.14 CC(C#N)OCc1ccc(cc1)I 34a_100011218135_100000189116 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.14 CC(C#N)OCc1ccc(cc1)I 7a_100000690907_100000703298 [0,1,0,0,0,0|2,0,1]=4 868 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000189115_100000703298 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000703298_100000189115 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000187161_100000703298 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000703298_100000187161 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000198546_100000703298 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000703298_100000187164 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000189116_100000703298 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000703298_100000189116 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,1,0,0,0,0|2,0,1]=4 880 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,1,0,0,0,0|2,0,1]=4 881 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,0,0,0,0|2,0,1]=4 887 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,1,0,0,0,0|1,0,2]=4 889 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,1,0,0,0,0|1,0,2]=4 890 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,1,0,0,0,0|1,0,2]=4 891 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,1,0,0,0,0|1,0,2]=4 892 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,1,0,0,0,0|1,0,2]=4 893 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,1,0,0,0,0|1,0,2]=4 894 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,1,0,0,0,0|1,0,2]=4 895 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,1,0,0,0,0|1,0,2]=4 896 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,1,0,0,0,0|1,0,2]=4 897 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,1,0,0,0,0|1,0,2]=4 898 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,1,0,0,0,0|1,0,2]=4 899 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,1,0,0,0,0|1,0,2]=4 900 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,1,0,0,0,0|1,0,2]=4 901 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,1,0,0,0,0|1,0,2]=4 902 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,1,0,0,0,0|1,0,2]=4 903 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,1,0,0,0,0|1,0,2]=4 904 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,1,0,0,0,0|1,0,2]=4 905 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,1,0,0,0,0|1,0,2]=4 906 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,1,0,0,0,0|1,0,2]=4 907 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,1,0,0,0,0|1,0,2]=4 908 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,1,0,0,0,0|1,0,2]=4 909 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,1,0,0,0,0|2,0,1]=4 911 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,1,0,0,0,0|2,0,1]=4 917 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,1,0,0,0,0|2,0,1]=4 918 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,1,0,0,0,0|2,0,1]=4 929 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,1,0,0,0,0|2,0,1]=4 930 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,1,0,0,0,0|2,0,1]=4 931 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,1,0,0,0,0|2,0,1]=4 933 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,1,0,0,0,0|2,0,1]=4 934 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,1,0,0,0,0|2,0,1]=4 937 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,1,0,0,0,0|2,0,1]=4 938 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,1,0,0,0,0|2,0,1]=4 939 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,1,0,0,0,0|2,0,1]=4 940 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,1,0,0,0,0|2,0,1]=4 942 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,1,0,0,0,0|2,0,1]=4 943 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,1,0,0,0,0|2,0,1]=4 945 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,1,0,0,0,0|2,0,1]=4 949 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,1,0,0,0,0|2,0,1]=4 950 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,1,0,0,0,0|2,0,1]=4 951 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,1,0,0,0,0|2,0,1]=4 952 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,1,0,0,0,0|2,0,1]=4 953 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,1,0,0,0,0|2,0,1]=4 960 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,1,0,0,0,0|2,0,1]=4 961 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,1,0,0,0,0|2,0,1]=4 981 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,1,0,0,0,0|2,0,1]=4 982 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,1,0,0,0,0|2,0,1]=4 983 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,1,0,0,0,0|2,0,1]=4 984 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,1,0,0,0,0|2,0,1]=4 985 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,1,0,0,0,0|2,0,1]=4 986 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000225621_100011740612 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210202 [0,1,0,0,0,0|2,0,1]=4 991 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000225621_100011740612 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000204670 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.14 CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210202 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.14 CCN(C)CCc1ccc(cc1)C 2230a_100000225621_100011713686 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.14 CCN(C)CCc1ccc(cc1)C 269982a_100000225621_100011713686 [0,1,0,0,0,0|2,0,1]=4 996 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,1,0,0,0,0|2,0,1]=4 997 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,1,0,0,0,0|2,0,1]=4 998 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,1,0,0,0,0|2,0,1]=4 1000 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100000225621_100011217392 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210202 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100000225621_100011217392 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000204670 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.14 CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210202 [0,1,0,0,0,0|2,0,1]=4 1006 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100000225621_100009816426 [0,1,0,0,0,0|2,0,1]=4 1007 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210202 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100000225621_100009816426 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000204670 [0,1,0,0,0,0|2,0,1]=4 1010 B13R1.14 CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210202 [0,1,0,0,0,0|2,0,1]=4 1011 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,1,0,0,0,0|2,0,1]=4 1016 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,1,0,0,0,0|2,0,1]=4 1018 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,1,0,0,0,0|2,0,1]=4 1019 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,1,0,0,0,0|2,0,1]=4 1020 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,1,0,0,0,0|2,0,1]=4 1021 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,1,0,0,0,0|2,0,1]=4 1022 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,1,0,0,0,0|2,0,1]=4 1023 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,1,0,0,0,0|2,0,1]=4 1024 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,1,0,0,0,0|2,0,1]=4 1025 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,1,0,0,0,0|2,0,1]=4 1026 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,1,0,0,0,0|2,0,1]=4 1027 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,1,0,0,0,0|2,0,1]=4 1028 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,1,0,0,0,0|2,0,1]=4 1029 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,1,0,0,0,0|2,0,1]=4 1030 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,1,0,0,0,0|2,0,1]=4 1033 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,1,0,0,0,0|2,0,1]=4 1035 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.14 CN(CF)CCc1ccc(cc1)Br 269982a_100000752880_100015361967 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.14 CN(CF)CCc1ccc(cc1)Br 34a_100000752880_100015361967 [0,1,0,0,0,0|2,0,1]=4 1042 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 269982a_100000698262_100015361967 [0,1,0,0,0,0|2,0,1]=4 1043 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 34a_100000698262_100015361967 [0,1,0,0,0,0|2,0,1]=4 1044 B13R1.14 CN(CF)CCc1ccc(cc1)F 269982a_100102946585_100015361967 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.14 CN(CF)CCc1ccc(cc1)F 34a_100102946585_100015361967 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.14 CN(CF)CCc1ccc(cc1)O 269982a_100016989440_100015361967 [0,1,0,0,0,0|2,0,1]=4 1047 B13R1.14 CN(CF)CCc1ccc(cc1)O 34a_100016989440_100015361967 [0,1,0,0,0,0|2,0,1]=4 1048 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,1,0,0,0,0|2,0,0]=3 1049 B13R1.14 CNC(C)CCc1ccc(cc1)F 270004a_106832991635_100000743244 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.14 CNC(C)CCc1ccc(cc1)I 270004a_106832991635_100000723691 [0,1,0,0,0,0|2,0,0]=3 1051 B13R1.14 CNC(C)CCc1ccc(cc1)O 270004a_106832991635_100000198047 [0,1,0,0,0,0|2,0,0]=3 1052 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,1,0,0,0,0|3,0,0]=4 1053 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,1,0,0,0,0|3,0,0]=4 1054 B13R1.14 CNC(C)COc1ccc(cc1)Cl 270004a_106832991635_200000150450 [0,1,0,0,0,0|3,0,0]=4 1055 B13R1.14 CNC(C)CSc1ccc(cc1)C 270004a_106832991635_100000172844 [0,1,0,0,0,0|3,0,0]=4 1056 B13R1.14 CNC(C)CSc1ccc(cc1)Cl 270004a_106832991635_100000150472 [0,1,0,0,0,0|3,0,0]=4 1057 B13R1.14 CNC(C)CSc1ccc(cc1)F 270004a_106832991635_200000148136 [0,1,0,0,0,0|3,0,0]=4 1058 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,1,0,0,0,0|3,0,0]=4 1059 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,1,0,0,0,0|3,0,0]=4 1060 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100000189115_100009879195 [0,1,0,0,0,0|3,0,0]=4 1061 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100009879195_100000189115 [0,1,0,0,0,0|3,0,0]=4 1062 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100000210814_100009879195 [0,1,0,0,0,0|3,0,0]=4 1063 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100009879195_100000210814 [0,1,0,0,0,0|3,0,0]=4 1064 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100000187161_100009879195 [0,1,0,0,0,0|3,0,0]=4 1065 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100009879195_100000187161 [0,1,0,0,0,0|3,0,0]=4 1066 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100000198546_100009879195 [0,1,0,0,0,0|3,0,0]=4 1067 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100009879195_100000187164 [0,1,0,0,0,0|3,0,0]=4 1068 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100000189116_100009879195 [0,1,0,0,0,0|3,0,0]=4 1069 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100009879195_100000189116 [0,1,0,0,0,0|3,0,0]=4 1070 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,1,0,0,0,0|1,0,2]=4 1071 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,1,0,0,0,0|1,0,2]=4 1072 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,1,0,0,0,0|1,0,2]=4 1073 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,1,0,0,0,0|1,0,2]=4 1074 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,1,0,0,0,0|1,0,2]=4 1075 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,1,0,0,0,0|1,0,2]=4 1076 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,1,0,0,0,0|1,0,2]=4 1077 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,1,0,0,0,0|1,0,2]=4 1078 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,1,0,0,0,0|1,0,2]=4 1079 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,1,0,0,0,0|1,0,2]=4 1080 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,1,0,0,0,0|1,0,2]=4 1081 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,1,0,0,0,0|1,0,2]=4 1082 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,1,0,0,0,0|1,0,2]=4 1083 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,1,0,0,0,0|1,0,2]=4 1084 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,1,0,0,0,0|1,0,2]=4 1085 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,1,0,0,0,0|1,0,2]=4 1086 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,1,0,0,0,0|1,0,2]=4 1087 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,1,0,0,0,0|1,0,2]=4 1088 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,1,0,0,0,0|1,0,2]=4 1089 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,1,0,0,0,0|1,0,2]=4 1090 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,1,0,0,0,0|1,0,2]=4 1091 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,1,0,0,0,0|1,0,2]=4 1092 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,1,0,0,0,0|1,0,2]=4 1093 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,1,0,0,0,0|1,0,2]=4 1094 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,1,0,0,0,0|2,0,1]=4 1096 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,1,0,0,0,0|2,0,1]=4 1098 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,1,0,0,0,0|2,0,1]=4 1099 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,1,0,0,0,0|2,0,1]=4 1100 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,1,0,0,0,0|2,0,1]=4 1101 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,1,0,0,0,0|1,0,2]=4 1102 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,1,0,0,0,0|1,0,2]=4 1103 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,1,0,0,0,0|1,0,2]=4 1104 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,1,0,0,0,0|1,0,2]=4 1105 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,1,0,0,0,0|1,0,2]=4 1106 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,1,0,0,0,0|1,0,2]=4 1107 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,1,0,0,0,0|1,0,2]=4 1108 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,1,0,0,0,0|1,0,2]=4 1109 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,1,0,0,0,0|1,0,2]=4 1110 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,1,0,0,0,0|1,0,2]=4 1111 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,1,0,0,0,0|1,0,2]=4 1112 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,1,0,0,0,0|1,0,2]=4 1113 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,1,0,0,0,0|1,0,2]=4 1114 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,1,0,0,0,0|1,0,2]=4 1115 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,1,0,0,0,0|1,0,2]=4 1116 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,1,0,0,0,0|1,0,2]=4 1117 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,1,0,0,0,0|1,0,2]=4 1118 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,1,0,0,0,0|1,0,2]=4 1119 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,1,0,0,0,0|1,0,2]=4 1120 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000174908_100000184139 [0,1,0,0,0,0|2,0,1]=4 1121 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000210814 [0,1,0,0,0,0|2,0,1]=4 1122 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,1,0,0,0,0|1,0,2]=4 1123 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,1,0,0,0,0|1,0,2]=4 1124 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,1,0,0,0,0|2,0,1]=4 1125 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,1,0,0,0,0|2,0,1]=4 1126 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,1,0,0,0,0|1,0,2]=4 1127 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,1,0,0,0,0|1,0,2]=4 1128 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,1,0,0,0,0|1,0,2]=4 1129 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,1,0,0,0,0|2,0,1]=4 1130 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,1,0,0,0,0|2,0,1]=4 1131 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,1,0,0,0,0|2,0,1]=4 1132 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,1,0,0,0,0|2,0,1]=4 1133 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,1,0,0,0,0|2,0,1]=4 1134 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,1,0,0,0,0|1,0,2]=4 1135 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,1,0,0,0,0|1,0,2]=4 1136 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000210814_100000703298 [0,1,0,0,0,0|2,0,1]=4 1137 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000703298_100000210814 [0,1,0,0,0,0|2,0,1]=4 1138 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,1,0,0,0,0|1,0,2]=4 1139 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,1,0,0,0,0|1,0,2]=4 1140 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,1,0,0,0,0|1,0,2]=4 1141 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,1,0,0,0,0|1,0,2]=4 1142 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,1,0,0,0,0|3,0,0]=4 1143 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,1,0,0,0,0|1,0,2]=4 1147 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,1,0,0,0,0|1,0,2]=4 1148 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,1,0,0,0,0|1,0,2]=4 1149 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,1,0,0,0,0|1,0,2]=4 1150 B13R1.15 C#CC(C)NCc1cccc(c1)Br 2230a_100000707721_100000698116 [0,1,0,0,0,0|2,0,1]=4 1151 B13R1.15 C#CC(C)NCc1cccc(c1)Br 270004a_100000707721_100000210085 [0,1,0,0,0,0|2,0,1]=4 1152 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000174977_200000035995 [0,1,0,0,0,0|2,0,1]=4 1153 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000707721_100000698116 [0,1,0,0,0,0|2,0,1]=4 1154 B13R1.15 C#CC(C)NCc1cccc(c1)C 2230a_100000707721_100000211840 [0,1,0,0,0,0|2,0,1]=4 1155 B13R1.15 C#CC(C)NCc1cccc(c1)C 270004a_100000707721_100000211157 [0,1,0,0,0,0|2,0,1]=4 1156 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000185548_200000035995 [0,1,0,0,0,0|2,0,1]=4 1157 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000707721_100000211840 [0,1,0,0,0,0|2,0,1]=4 1158 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 2230a_100000707721_100000181238 [0,1,0,0,0,0|2,0,1]=4 1159 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 270004a_100000707721_100000210801 [0,1,0,0,0,0|2,0,1]=4 1160 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000174878_200000035995 [0,1,0,0,0,0|2,0,1]=4 1161 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000707721_100000187163 [0,1,0,0,0,0|2,0,1]=4 1162 B13R1.15 C#CC(C)NCc1cccc(c1)F 2230a_100000707721_100000230114 [0,1,0,0,0,0|2,0,1]=4 1163 B13R1.15 C#CC(C)NCc1cccc(c1)F 270004a_100000707721_100000210812 [0,1,0,0,0,0|2,0,1]=4 1164 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000174948_200000035995 [0,1,0,0,0,0|2,0,1]=4 1165 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000707721_100000187166 [0,1,0,0,0,0|2,0,1]=4 1166 B13R1.15 C#CC(C)NCc1cccc(c1)I 2230a_100000707721_100011218688 [0,1,0,0,0,0|2,0,1]=4 1167 B13R1.15 C#CC(C)NCc1cccc(c1)I 270004a_100000707721_100000014684 [0,1,0,0,0,0|2,0,1]=4 1168 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000106179_200000035995 [0,1,0,0,0,0|2,0,1]=4 1169 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000707721_100011218688 [0,1,0,0,0,0|2,0,1]=4 1170 B13R1.15 C#CC(C)NCc1cccc(c1)O 2230a_100000707721_100011660834 [0,1,0,0,0,0|2,0,1]=4 1171 B13R1.15 C#CC(C)NCc1cccc(c1)O 270004a_100000707721_100000188321 [0,1,0,0,0,0|2,0,1]=4 1172 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000707721_100011660834 [0,1,0,0,0,0|2,0,1]=4 1173 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000743036_200000035995 [0,1,0,0,0,0|2,0,1]=4 1174 B13R1.15 C#CC(C)OCc1cccc(c1)Br 34a_100000687537_200000035995 [0,1,0,0,0,0|2,0,1]=4 1175 B13R1.15 C#CC(C)OCc1cccc(c1)C 34a_100011217746_200000035995 [0,1,0,0,0,0|2,0,1]=4 1176 B13R1.15 C#CC(C)OCc1cccc(c1)Cl 34a_100000241301_200000035995 [0,1,0,0,0,0|2,0,1]=4 1177 B13R1.15 C#CC(C)OCc1cccc(c1)F 34a_100000210976_200000035995 [0,1,0,0,0,0|2,0,1]=4 1178 B13R1.15 C#CC(C)OCc1cccc(c1)I 34a_100011215336_200000035995 [0,1,0,0,0,0|2,0,1]=4 1179 B13R1.15 C#CC(C)OCc1cccc(c1)N 34a_100000211919_200000035995 [0,1,0,0,0,0|2,0,1]=4 1180 B13R1.15 C#CC(C)SCc1cccc(c1)Br 62a_200000035995_100000211773 [0,1,0,0,0,0|2,0,1]=4 1181 B13R1.15 C#CC(C)SCc1cccc(c1)C 62a_200000035995_100000211840 [0,1,0,0,0,0|2,0,1]=4 1182 B13R1.15 C#CC(C)SCc1cccc(c1)Cl 62a_200000035995_100000187163 [0,1,0,0,0,0|2,0,1]=4 1183 B13R1.15 C#CC(C)SCc1cccc(c1)F 62a_200000035995_100000230114 [0,1,0,0,0,0|2,0,1]=4 1184 B13R1.15 C#CC(C)SCc1cccc(c1)I 62a_200000035995_100011218688 [0,1,0,0,0,0|2,0,1]=4 1185 B13R1.15 C#CC(C)SCc1cccc(c1)O 62a_200000035995_100011660834 [0,1,0,0,0,0|2,0,1]=4 1186 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 34a_100009815206_100000698116 [0,1,0,0,0,0|2,0,1]=4 1187 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 7a_100009815206_100000211773 [0,1,0,0,0,0|2,0,1]=4 1188 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 34a_100009815206_100000211840 [0,1,0,0,0,0|2,0,1]=4 1189 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 7a_100009815206_100000211840 [0,1,0,0,0,0|2,0,1]=4 1190 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 34a_100009815206_100000187163 [0,1,0,0,0,0|2,0,1]=4 1191 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 7a_100009815206_100000187163 [0,1,0,0,0,0|2,0,1]=4 1192 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 34a_100009815206_100000187166 [0,1,0,0,0,0|2,0,1]=4 1193 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 7a_100009815206_100000230114 [0,1,0,0,0,0|2,0,1]=4 1194 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 34a_100009815206_100011218688 [0,1,0,0,0,0|2,0,1]=4 1195 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 7a_100009815206_100011218688 [0,1,0,0,0,0|2,0,1]=4 1196 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 34a_100009815206_100011660834 [0,1,0,0,0,0|2,0,1]=4 1197 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 7a_100009815206_100000084143 [0,1,0,0,0,0|2,0,1]=4 1198 B13R1.15 C=CC(=O)CCc1cccc(c1)Br 1458a_100000185746_100011740638 [0,1,0,0,0,0|2,0,1]=4 1199 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,1,0,0,0,0|2,0,1]=4 1200 B13R1.15 C=CC(=O)CCc1cccc(c1)Cl 1458a_100000185746_100011713710 [0,1,0,0,0,0|2,0,1]=4 1201 B13R1.15 C=CC(=O)CCc1cccc(c1)F 1458a_100000185746_100011217235 [0,1,0,0,0,0|2,0,1]=4 1202 B13R1.15 C=CC(C)OCc1cc(ccn1)Br 34a_100000695699_100010173614 [0,1,0,0,0,0|3,0,0]=4 1203 B13R1.15 C=CC(C)OCc1cc(ccn1)C 34a_100000695699_100000718516 [0,1,0,0,0,0|3,0,0]=4 1204 B13R1.15 C=CC(C)OCc1cc(ccn1)Cl 34a_100000695699_100016988179 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.15 C=CC(C)OCc1cccc(c1)Br 34a_100000695699_100000698116 [0,1,0,0,0,0|2,0,0]=3 1206 B13R1.15 C=CC(C)OCc1cccc(c1)C 34a_100000695699_100000211840 [0,1,0,0,0,0|2,0,0]=3 1207 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 34a_100000695699_100000187163 [0,1,0,0,0,0|2,0,0]=3 1208 B13R1.15 C=CC(C)OCc1cccc(c1)F 34a_100000695699_100000187166 [0,1,0,0,0,0|2,0,0]=3 1209 B13R1.15 C=CC(C)OCc1cccc(c1)I 34a_100000695699_100011218688 [0,1,0,0,0,0|2,0,0]=3 1210 B13R1.15 C=CC(C)OCc1cccc(c1)O 34a_100000695699_100011660834 [0,1,0,0,0,0|2,0,0]=3 1211 B13R1.15 C=CC(C)OCc1cccc(n1)Br 34a_100000695699_100009889011 [0,1,0,0,0,0|3,0,0]=4 1212 B13R1.15 C=CC(C)OCc1cccc(n1)C 34a_100000695699_100000757606 [0,1,0,0,0,0|3,0,0]=4 1213 B13R1.15 C=CC(C)OCc1cccc(n1)Cl 34a_100000695699_100000086093 [0,1,0,0,0,0|3,0,0]=4 1214 B13R1.15 C=CC(C)OCc1cccc(n1)F 34a_100000695699_100009819644 [0,1,0,0,0,0|3,0,0]=4 1215 B13R1.15 C=CC(C)OCc1ccnc(c1)Br 34a_100000695699_100010243470 [0,1,0,0,0,0|3,0,0]=4 1216 B13R1.15 C=CC(C)OCc1ccnc(c1)C 34a_100000695699_200020672517 [0,1,0,0,0,0|3,0,0]=4 1217 B13R1.15 C=CC(C)OCc1ccnc(c1)Cl 34a_100000695699_100000764220 [0,1,0,0,0,0|3,0,0]=4 1218 B13R1.15 C=CC(C)OCc1cncc(c1)Br 34a_100000695699_100000738771 [0,1,0,0,0,0|3,0,0]=4 1219 B13R1.15 C=CC(C)OCc1cncc(c1)C 34a_100000695699_100000716715 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.15 C=CC(C)OCc1cncc(c1)Cl 34a_100000695699_100016992070 [0,1,0,0,0,0|3,0,0]=4 1221 B13R1.15 C=CC(C)OCc1cncc(c1)F 34a_100000695699_100000725299 [0,1,0,0,0,0|3,0,0]=4 1222 B13R1.15 C=CC(C)SCc1cc(ccn1)Br 62a_100011215867_100010173614 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.15 C=CC(C)SCc1cc(ccn1)C 62a_100011215867_100000718516 [0,1,0,0,0,0|3,0,0]=4 1224 B13R1.15 C=CC(C)SCc1cc(ccn1)Cl 62a_100011215867_100016988179 [0,1,0,0,0,0|3,0,0]=4 1225 B13R1.15 C=CC(C)SCc1cccc(c1)Br 62a_100011215867_100000211773 [0,1,0,0,0,0|2,0,0]=3 1226 B13R1.15 C=CC(C)SCc1cccc(c1)C 62a_100011215867_100000211840 [0,1,0,0,0,0|2,0,0]=3 1227 B13R1.15 C=CC(C)SCc1cccc(c1)Cl 62a_100011215867_100000187163 [0,1,0,0,0,0|2,0,0]=3 1228 B13R1.15 C=CC(C)SCc1cccc(c1)F 62a_100011215867_100000230114 [0,1,0,0,0,0|2,0,0]=3 1229 B13R1.15 C=CC(C)SCc1cccc(c1)I 62a_100011215867_100011218688 [0,1,0,0,0,0|2,0,0]=3 1230 B13R1.15 C=CC(C)SCc1cccc(c1)O 62a_100011215867_100011660834 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.15 C=CC(C)SCc1cccc(n1)Br 62a_100011215867_100009889011 [0,1,0,0,0,0|3,0,0]=4 1232 B13R1.15 C=CC(C)SCc1cccc(n1)C 62a_100011215867_100000757606 [0,1,0,0,0,0|3,0,0]=4 1233 B13R1.15 C=CC(C)SCc1cccc(n1)Cl 62a_100011215867_100000086093 [0,1,0,0,0,0|3,0,0]=4 1234 B13R1.15 C=CC(C)SCc1cccc(n1)F 62a_100011215867_100009819644 [0,1,0,0,0,0|3,0,0]=4 1235 B13R1.15 C=CC(C)SCc1ccnc(c1)Br 62a_100011215867_100010243470 [0,1,0,0,0,0|3,0,0]=4 1236 B13R1.15 C=CC(C)SCc1ccnc(c1)C 62a_100011215867_200020672517 [0,1,0,0,0,0|3,0,0]=4 1237 B13R1.15 C=CC(C)SCc1ccnc(c1)Cl 62a_100011215867_100000764220 [0,1,0,0,0,0|3,0,0]=4 1238 B13R1.15 C=CC(C)SCc1cncc(c1)Br 62a_100011215867_100000738771 [0,1,0,0,0,0|3,0,0]=4 1239 B13R1.15 C=CC(C)SCc1cncc(c1)C 62a_100011215867_100000716715 [0,1,0,0,0,0|3,0,0]=4 1240 B13R1.15 C=CC(C)SCc1cncc(c1)Cl 62a_100011215867_100016992070 [0,1,0,0,0,0|3,0,0]=4 1241 B13R1.15 C=CC(C)SCc1cncc(c1)F 62a_100011215867_100000725299 [0,1,0,0,0,0|3,0,0]=4 1242 B13R1.15 C=CC(O)CNc1cccc(c1)Br 34a_100000210019_100000730141 [0,1,0,0,0,0|3,0,0]=4 1243 B13R1.15 C=CC(O)CNc1cccc(c1)C 2230a_100000188690_100000730141 [0,1,0,0,0,0|3,0,0]=4 1244 B13R1.15 C=CC(O)CNc1cccc(c1)C 34a_100000188690_100000730141 [0,1,0,0,0,0|3,0,0]=4 1245 B13R1.15 C=CC(O)CNc1cccc(c1)Cl 34a_100000185859_100000730141 [0,1,0,0,0,0|3,0,0]=4 1246 B13R1.15 C=CC(O)CNc1cccc(c1)F 34a_100000210047_100000730141 [0,1,0,0,0,0|3,0,0]=4 1247 B13R1.15 C=CC(O)CNc1cccc(c1)I 34a_100000211102_100000730141 [0,1,0,0,0,0|3,0,0]=4 1248 B13R1.15 C=CC(O)CNc1cccc(c1)O 34a_100000210217_100000730141 [0,1,0,0,0,0|3,0,0]=4 1249 B13R1.15 C=CC(O)COc1cccc(c1)Br 34a_100000210342_100000730141 [0,1,0,0,0,0|3,0,0]=4 1250 B13R1.15 C=CC(O)COc1cccc(c1)Br 7a_100000210342_100000730141 [0,1,0,0,0,0|3,0,0]=4 1251 B13R1.15 C=CC(O)COc1cccc(c1)C 34a_100000210337_100000730141 [0,1,0,0,0,0|3,0,0]=4 1252 B13R1.15 C=CC(O)COc1cccc(c1)C 7a_100000210337_100000730141 [0,1,0,0,0,0|3,0,0]=4 1253 B13R1.15 C=CC(O)COc1cccc(c1)Cl 34a_100000210295_100000730141 [0,1,0,0,0,0|3,0,0]=4 1254 B13R1.15 C=CC(O)COc1cccc(c1)Cl 7a_100000210295_100000730141 [0,1,0,0,0,0|3,0,0]=4 1255 B13R1.15 C=CC(O)COc1cccc(c1)F 34a_100000210426_100000730141 [0,1,0,0,0,0|3,0,0]=4 1256 B13R1.15 C=CC(O)COc1cccc(c1)F 7a_100000210426_100000730141 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.15 C=CC(O)COc1cccc(c1)I 34a_100000211634_100000730141 [0,1,0,0,0,0|3,0,0]=4 1258 B13R1.15 C=CC(O)COc1cccc(c1)I 7a_100000211634_100000730141 [0,1,0,0,0,0|3,0,0]=4 1259 B13R1.15 C=CC(O)COc1cccc(c1)N 34a_100000210217_100000730141 [0,1,0,0,0,0|3,0,0]=4 1260 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000691529_100000730141 [0,1,0,0,0,0|3,0,0]=4 1261 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000730141_100000691529 [0,1,0,0,0,0|3,0,0]=4 1262 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100000730141_100011215228 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100011215228_100000730141 [0,1,0,0,0,0|3,0,0]=4 1264 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000699651_100000730141 [0,1,0,0,0,0|3,0,0]=4 1265 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000730141_100000699651 [0,1,0,0,0,0|3,0,0]=4 1266 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000685547_100000730141 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000730141_100000685547 [0,1,0,0,0,0|3,0,0]=4 1268 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000210019_100000730141 [0,1,0,0,0,0|3,0,0]=4 1269 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000730141_100000210019 [0,1,0,0,0,0|3,0,0]=4 1270 B13R1.15 C=CC(O)CSc1cccc(c1)O 62a_100000730141_100000211634 [0,1,0,0,0,0|3,0,0]=4 1271 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_100000730141_114929384022 [0,1,0,0,0,0|3,0,0]=4 1272 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_114929384022_100000730141 [0,1,0,0,0,0|3,0,0]=4 1273 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000174977_100000184139 [0,1,0,0,0,0|2,0,1]=4 1274 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000737613_100000698116 [0,1,0,0,0,0|2,0,1]=4 1275 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000174878_100000184139 [0,1,0,0,0,0|2,0,1]=4 1276 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000737613_100000181238 [0,1,0,0,0,0|2,0,1]=4 1277 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000174948_100000184139 [0,1,0,0,0,0|2,0,1]=4 1278 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000737613_100000230114 [0,1,0,0,0,0|2,0,1]=4 1279 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000106179_100000184139 [0,1,0,0,0,0|2,0,1]=4 1280 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000737613_100011218688 [0,1,0,0,0,0|2,0,1]=4 1281 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000737613_100011660834 [0,1,0,0,0,0|2,0,1]=4 1282 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000743036_100000184139 [0,1,0,0,0,0|2,0,1]=4 1283 B13R1.15 CC(C#N)OCc1cccc(c1)Br 34a_100011218135_100000698116 [0,1,0,0,0,0|2,0,1]=4 1284 B13R1.15 CC(C#N)OCc1cccc(c1)Br 7a_100000687537_100000703298 [0,1,0,0,0,0|2,0,1]=4 1285 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 34a_100011218135_100000187163 [0,1,0,0,0,0|2,0,1]=4 1286 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 7a_100000241301_100000703298 [0,1,0,0,0,0|2,0,1]=4 1287 B13R1.15 CC(C#N)OCc1cccc(c1)F 34a_100011218135_100000187166 [0,1,0,0,0,0|2,0,1]=4 1288 B13R1.15 CC(C#N)OCc1cccc(c1)F 7a_100000210976_100000703298 [0,1,0,0,0,0|2,0,1]=4 1289 B13R1.15 CC(C#N)OCc1cccc(c1)I 34a_100011218135_100011218688 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.15 CC(C#N)OCc1cccc(c1)I 7a_100011215336_100000703298 [0,1,0,0,0,0|2,0,1]=4 1291 B13R1.15 CC(C#N)OCc1cccc(c1)O 34a_100011218135_100011660834 [0,1,0,0,0,0|2,0,1]=4 1292 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000211773_100000703298 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000703298_100000211773 [0,1,0,0,0,0|2,0,1]=4 1294 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000187163_100000703298 [0,1,0,0,0,0|2,0,1]=4 1295 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000703298_100000187163 [0,1,0,0,0,0|2,0,1]=4 1296 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000230114_100000703298 [0,1,0,0,0,0|2,0,1]=4 1297 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000703298_100000230114 [0,1,0,0,0,0|2,0,1]=4 1298 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100000703298_100011218688 [0,1,0,0,0,0|2,0,1]=4 1299 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100011218688_100000703298 [0,1,0,0,0,0|2,0,1]=4 1300 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100000703298_100011660834 [0,1,0,0,0,0|2,0,1]=4 1301 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100011660834_100000703298 [0,1,0,0,0,0|2,0,1]=4 1302 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,1,0,0,0,0|2,0,1]=4 1303 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,1,0,0,0,0|2,0,1]=4 1304 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,1,0,0,0,0|2,0,1]=4 1305 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,1,0,0,0,0|2,0,1]=4 1306 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,1,0,0,0,0|2,0,1]=4 1307 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,1,0,0,0,0|2,0,1]=4 1308 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,1,0,0,0,0|2,0,1]=4 1309 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,1,0,0,0,0|2,0,1]=4 1310 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,1,0,0,0,0|2,0,1]=4 1311 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,1,0,0,0,0|2,0,1]=4 1312 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,0,0,0,0|2,0,1]=4 1313 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,0,0,0,0|2,0,1]=4 1314 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,0,0,0,0|2,0,1]=4 1315 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,0,0,0,0|2,0,1]=4 1316 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,0,0,0,0|2,0,1]=4 1317 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,1,0,0,0,0|1,0,2]=4 1318 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,1,0,0,0,0|1,0,2]=4 1319 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,1,0,0,0,0|1,0,2]=4 1320 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,1,0,0,0,0|1,0,2]=4 1321 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,1,0,0,0,0|1,0,2]=4 1322 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,1,0,0,0,0|1,0,2]=4 1323 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,1,0,0,0,0|1,0,2]=4 1324 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,1,0,0,0,0|1,0,2]=4 1325 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,1,0,0,0,0|1,0,2]=4 1326 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,1,0,0,0,0|1,0,2]=4 1327 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,1,0,0,0,0|1,0,2]=4 1328 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,1,0,0,0,0|1,0,2]=4 1329 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,1,0,0,0,0|1,0,2]=4 1330 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,1,0,0,0,0|1,0,2]=4 1331 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,1,0,0,0,0|1,0,2]=4 1332 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,1,0,0,0,0|1,0,2]=4 1333 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,1,0,0,0,0|1,0,2]=4 1334 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,1,0,0,0,0|1,0,2]=4 1335 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,1,0,0,0,0|1,0,2]=4 1336 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,1,0,0,0,0|1,0,2]=4 1337 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,1,0,0,0,0|1,0,2]=4 1338 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,1,0,0,0,0|1,0,2]=4 1339 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,1,0,0,0,0|1,0,2]=4 1340 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,1,0,0,0,0|1,0,2]=4 1341 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,1,0,0,0,0|2,0,1]=4 1342 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,1,0,0,0,0|2,0,1]=4 1343 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,1,0,0,0,0|2,0,1]=4 1344 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,1,0,0,0,0|2,0,1]=4 1345 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,1,0,0,0,0|2,0,1]=4 1346 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,1,0,0,0,0|2,0,1]=4 1347 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,1,0,0,0,0|2,0,1]=4 1348 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,1,0,0,0,0|2,0,1]=4 1349 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,1,0,0,0,0|2,0,1]=4 1350 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,1,0,0,0,0|2,0,1]=4 1351 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,1,0,0,0,0|2,0,1]=4 1352 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,1,0,0,0,0|2,0,1]=4 1353 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,1,0,0,0,0|2,0,1]=4 1354 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,1,0,0,0,0|2,0,1]=4 1355 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,1,0,0,0,0|2,0,1]=4 1356 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,1,0,0,0,0|2,0,1]=4 1357 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,1,0,0,0,0|2,0,1]=4 1358 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,1,0,0,0,0|2,0,1]=4 1359 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,1,0,0,0,0|2,0,1]=4 1360 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,1,0,0,0,0|2,0,1]=4 1361 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,1,0,0,0,0|2,0,1]=4 1362 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,1,0,0,0,0|2,0,1]=4 1363 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,1,0,0,0,0|2,0,1]=4 1364 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,1,0,0,0,0|2,0,1]=4 1365 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,1,0,0,0,0|2,0,1]=4 1366 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,1,0,0,0,0|2,0,1]=4 1367 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,1,0,0,0,0|2,0,1]=4 1370 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,1,0,0,0,0|2,0,1]=4 1371 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,1,0,0,0,0|2,0,1]=4 1372 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,1,0,0,0,0|2,0,1]=4 1373 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,1,0,0,0,0|2,0,1]=4 1378 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,1,0,0,0,0|2,0,1]=4 1381 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,1,0,0,0,0|2,0,1]=4 1382 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,1,0,0,0,0|2,0,1]=4 1387 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,1,0,0,0,0|2,0,1]=4 1388 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,1,0,0,0,0|2,0,1]=4 1389 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,1,0,0,0,0|2,0,1]=4 1390 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,1,0,0,0,0|2,0,1]=4 1391 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,1,0,0,0,0|2,0,1]=4 1392 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,1,0,0,0,0|2,0,1]=4 1393 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,1,0,0,0,0|2,0,1]=4 1394 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,1,0,0,0,0|2,0,1]=4 1395 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,1,0,0,0,0|2,0,1]=4 1396 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,1,0,0,0,0|2,0,1]=4 1397 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,1,0,0,0,0|2,0,1]=4 1398 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,1,0,0,0,0|2,0,1]=4 1399 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,1,0,0,0,0|2,0,1]=4 1400 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,1,0,0,0,0|2,0,1]=4 1401 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,1,0,0,0,0|2,0,1]=4 1409 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,1,0,0,0,0|2,0,1]=4 1414 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,1,0,0,0,0|2,0,1]=4 1415 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,1,0,0,0,0|2,0,1]=4 1416 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,1,0,0,0,0|2,0,1]=4 1417 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,1,0,0,0,0|2,0,1]=4 1418 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,1,0,0,0,0|2,0,1]=4 1419 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,1,0,0,0,0|2,0,1]=4 1423 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,1,0,0,0,0|2,0,1]=4 1426 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,1,0,0,0,0|2,0,1]=4 1427 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,1,0,0,0,0|2,0,1]=4 1432 B13R1.15 CCN(C)CCc1cccc(c1)Br 2230a_100000225621_100011740638 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.15 CCN(C)CCc1cccc(c1)Br 269982a_100000225621_100011740638 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_100000225621_100011713685 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210202 [0,1,0,0,0,0|2,0,1]=4 1436 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_100000225621_100011713685 [0,1,0,0,0,0|2,0,1]=4 1437 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000204670 [0,1,0,0,0,0|2,0,1]=4 1438 B13R1.15 CCN(C)CCc1cccc(c1)C 34a_114849113767_100000210202 [0,1,0,0,0,0|2,0,1]=4 1439 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_100000225621_100011713710 [0,1,0,0,0,0|2,0,1]=4 1440 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210202 [0,1,0,0,0,0|2,0,1]=4 1441 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_100000225621_100011713710 [0,1,0,0,0,0|2,0,1]=4 1442 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000204670 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.15 CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210202 [0,1,0,0,0,0|2,0,1]=4 1444 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_100000225621_100011217235 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210202 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_100000225621_100011217235 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000204670 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.15 CCN(C)CCc1cccc(c1)F 34a_106726388868_100000210202 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,1,0,0,0,0|2,0,1]=4 1450 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,1,0,0,0,0|2,0,1]=4 1451 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,1,0,0,0,0|2,0,1]=4 1452 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,1,0,0,0,0|2,0,1]=4 1453 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,1,0,0,0,0|2,0,1]=4 1454 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,1,0,0,0,0|2,0,1]=4 1457 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,1,0,0,0,0|2,0,1]=4 1458 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,1,0,0,0,0|2,0,1]=4 1459 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,1,0,0,0,0|2,0,1]=4 1460 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,1,0,0,0,0|2,0,1]=4 1461 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,1,0,0,0,0|2,0,1]=4 1462 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,1,0,0,0,0|2,0,1]=4 1463 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,1,0,0,0,0|2,0,1]=4 1464 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,1,0,0,0,0|2,0,1]=4 1465 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,1,0,0,0,0|2,0,1]=4 1470 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,1,0,0,0,0|2,0,1]=4 1471 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,1,0,0,0,0|2,0,1]=4 1478 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,1,0,0,0,0|2,0,1]=4 1479 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,1,0,0,0,0|2,0,1]=4 1480 B13R1.15 CN(CF)CCc1cccc(c1)Cl 269982a_106726388433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1481 B13R1.15 CN(CF)CCc1cccc(c1)Cl 34a_106726388433_100015361967 [0,1,0,0,0,0|2,0,1]=4 1482 B13R1.15 CN(CF)CCc1cccc(c1)F 269982a_106726388868_100015361967 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.15 CN(CF)CCc1cccc(c1)F 34a_106726388868_100015361967 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.15 CNC(C)CCc1cccc(c1)Br 270004a_106832991635_100011279149 [0,1,0,0,0,0|2,0,0]=3 1485 B13R1.15 CNC(C)CCc1cccc(c1)F 270004a_106832991635_100000743863 [0,1,0,0,0,0|2,0,0]=3 1486 B13R1.15 COC(C)COc1cccc(c1)C 34a_200011219432_200000210301 [0,1,0,0,0,0|3,0,0]=4 1487 B13R1.15 COC(C)COc1cccc(c1)C 7a_200011219432_200000210301 [0,1,0,0,0,0|3,0,0]=4 1488 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100000211773_100009879195 [0,1,0,0,0,0|3,0,0]=4 1489 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100009879195_100000211773 [0,1,0,0,0,0|3,0,0]=4 1490 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100000211840_100009879195 [0,1,0,0,0,0|3,0,0]=4 1491 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100009879195_100000211840 [0,1,0,0,0,0|3,0,0]=4 1492 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100000187163_100009879195 [0,1,0,0,0,0|3,0,0]=4 1493 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100009879195_100000187163 [0,1,0,0,0,0|3,0,0]=4 1494 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100000230114_100009879195 [0,1,0,0,0,0|3,0,0]=4 1495 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100009879195_100000230114 [0,1,0,0,0,0|3,0,0]=4 1496 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100009879195_100011218688 [0,1,0,0,0,0|3,0,0]=4 1497 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100011218688_100009879195 [0,1,0,0,0,0|3,0,0]=4 1498 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100009879195_100011660834 [0,1,0,0,0,0|3,0,0]=4 1499 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100011660834_100009879195 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,1,0,0,0,0|1,0,2]=4 1501 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,1,0,0,0,0|1,0,2]=4 1502 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,1,0,0,0,0|1,0,2]=4 1503 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,1,0,0,0,0|1,0,2]=4 1504 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,1,0,0,0,0|1,0,2]=4 1505 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,1,0,0,0,0|1,0,2]=4 1506 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,1,0,0,0,0|1,0,2]=4 1507 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,1,0,0,0,0|1,0,2]=4 1508 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,1,0,0,0,0|1,0,2]=4 1509 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,1,0,0,0,0|1,0,2]=4 1510 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,1,0,0,0,0|1,0,2]=4 1511 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,1,0,0,0,0|1,0,2]=4 1512 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,1,0,0,0,0|1,0,2]=4 1513 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,1,0,0,0,0|1,0,2]=4 1514 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,1,0,0,0,0|1,0,2]=4 1515 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,1,0,0,0,0|1,0,2]=4 1516 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,1,0,0,0,0|1,0,2]=4 1517 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,1,0,0,0,0|1,0,2]=4 1518 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,1,0,0,0,0|1,0,2]=4 1519 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,1,0,0,0,0|1,0,2]=4 1520 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,1,0,0,0,0|1,0,2]=4 1521 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,1,0,0,0,0|1,0,2]=4 1522 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,1,0,0,0,0|1,0,2]=4 1523 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,1,0,0,0,0|1,0,2]=4 1524 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,1,0,0,0,0|1,0,2]=4 1525 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,1,0,0,0,0|2,0,1]=4 1526 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,1,0,0,0,0|2,0,1]=4 1527 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,1,0,0,0,0|2,0,1]=4 1529 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,1,0,0,0,0|2,0,1]=4 1531 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,1,0,0,0,0|2,0,1]=4 1532 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,1,0,0,0,0|2,0,1]=4 1533 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,1,0,0,0,0|2,0,1]=4 1534 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,1,0,0,0,0|2,0,1]=4 1535 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,1,0,0,0,0|1,0,2]=4 1536 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,1,0,0,0,0|1,0,2]=4 1537 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,1,0,0,0,0|1,0,2]=4 1538 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,1,0,0,0,0|1,0,2]=4 1539 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,1,0,0,0,0|1,0,2]=4 1540 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,1,0,0,0,0|1,0,2]=4 1541 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,1,0,0,0,0|1,0,2]=4 1542 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,1,0,0,0,0|1,0,2]=4 1543 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,1,0,0,0,0|1,0,2]=4 1544 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,1,0,0,0,0|1,0,2]=4 1545 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,1,0,0,0,0|1,0,2]=4 1546 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,1,0,0,0,0|1,0,2]=4 1547 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,1,0,0,0,0|1,0,2]=4 1548 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,1,0,0,0,0|1,0,2]=4 1549 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,1,0,0,0,0|1,0,2]=4 1550 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,1,0,0,0,0|1,0,2]=4 1551 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,1,0,0,0,0|1,0,2]=4 1552 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,1,0,0,0,0|1,0,2]=4 1553 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,1,0,0,0,0|1,0,2]=4 1554 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,1,0,0,0,0|1,0,2]=4 1555 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,1,0,0,0,0|1,0,2]=4 1556 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,1,0,0,0,0|1,0,2]=4 1557 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,1,0,0,0,0|1,0,2]=4 1558 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,1,0,0,0,0|1,0,2]=4 1559 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,1,0,0,0,0|1,0,2]=4 1560 B13R1.15 Cc1cccc(c1)CCN(C)CF 269982a_114849113767_100015361967 [0,1,0,0,0,0|2,0,1]=4 1561 B13R1.15 Cc1cccc(c1)CCN(C)CF 34a_114849113767_100015361967 [0,1,0,0,0,0|2,0,1]=4 1562 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000185548_100000184139 [0,1,0,0,0,0|2,0,1]=4 1563 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000737613_100000211840 [0,1,0,0,0,0|2,0,1]=4 1564 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,1,0,0,0,0|1,0,2]=4 1565 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,1,0,0,0,0|1,0,2]=4 1566 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,1,0,0,0,0|2,0,1]=4 1567 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,1,0,0,0,0|2,0,1]=4 1568 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,1,0,0,0,0|1,0,2]=4 1569 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,1,0,0,0,0|1,0,2]=4 1570 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,1,0,0,0,0|1,0,2]=4 1571 B13R1.15 Cc1cccc(c1)COC(C)C#N 34a_100011218135_100000211840 [0,1,0,0,0,0|2,0,1]=4 1572 B13R1.15 Cc1cccc(c1)COC(C)C#N 7a_100011217746_100000703298 [0,1,0,0,0,0|2,0,1]=4 1573 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,1,0,0,0,0|1,0,2]=4 1577 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,1,0,0,0,0|1,0,2]=4 1578 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000211840_100000703298 [0,1,0,0,0,0|2,0,1]=4 1579 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000703298_100000211840 [0,1,0,0,0,0|2,0,1]=4 1580 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,1,0,0,0,0|1,0,2]=4 1581 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,1,0,0,0,0|1,0,2]=4 1582 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,1,0,0,0,0|1,0,2]=4 1583 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,1,0,0,0,0|1,0,2]=4 1584 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,1,0,0,0,0|1,0,2]=4 1585 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 34a_200011219432_200025704644 [0,1,0,0,0,0|3,0,0]=4 1586 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 7a_200011219432_200025704644 [0,1,0,0,0,0|3,0,0]=4 1587 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,1,0,0,0,0|1,0,2]=4 1588 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,1,0,0,0,0|1,0,2]=4 1589 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,1,0,0,0,0|1,0,2]=4 1590 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,1,0,0,0,0|1,0,2]=4 1591 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,1,0,0,0,0|2,0,1]=4 1592 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,1,0,0,0,0|2,0,1]=4 1593 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [0,1,0,0,0,0|2,0,1]=4 1594 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [0,1,0,0,0,0|2,0,1]=4 1595 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [0,1,0,0,0,0|2,0,1]=4 1596 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,1,0,0,0,0|2,0,0]=3 1597 B13R1.42 C/C=C/C(C)OCc1ccccn1 34a_200102604097_100000721315 [0,1,0,0,0,0|3,0,0]=4 1598 B13R1.42 C/C=C/C(C)OCc1cccnc1 34a_200102604097_100000733263 [0,1,0,0,0,0|3,0,0]=4 1599 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,1,0,0,0,0|2,0,1]=4 1600 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,1,0,0,0,0|2,0,1]=4 1601 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,1,0,0,0,0|2,0,0]=3 1602 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,1,0,0,0,0|2,0,0]=3 1603 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,1,0,0,0,0|2,0,0]=3 1604 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,1,0,0,0,0|2,0,0]=3 1605 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000225617_100015183660 [0,1,0,0,0,0|3,0,0]=4 1606 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000737206_100000210623 [0,1,0,0,0,0|3,0,0]=4 1607 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000225617_100015183660 [0,1,0,0,0,0|3,0,0]=4 1608 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000737206_100000210623 [0,1,0,0,0,0|3,0,0]=4 1609 B13R1.42 C=CCN(C)CCc1cccnc1 2230a_100000225617_200011713674 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.42 C=CCN(C)CCc1cccnc1 2230a_100000763209_100000210623 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.42 C=CCN(C)CCc1cccnc1 269982a_100000225617_200011713674 [0,1,0,0,0,0|3,0,0]=4 1612 B13R1.42 C=CCN(C)CCc1cccnc1 269982a_100000763209_100000210623 [0,1,0,0,0,0|3,0,0]=4 1613 B13R1.42 C=CCN(C)CCc1ccncc1 2230a_100000225617_100000723409 [0,1,0,0,0,0|3,0,0]=4 1614 B13R1.42 C=CCN(C)CCc1ccncc1 2230a_100000742850_100000210623 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.42 C=CCN(C)CCc1ccncc1 269982a_100000225617_100000723409 [0,1,0,0,0,0|3,0,0]=4 1616 B13R1.42 C=CCN(C)CCc1ccncc1 269982a_100000742850_100000210623 [0,1,0,0,0,0|3,0,0]=4 1617 B13R1.42 C=CCN(C)CSc1ccccc1 2230a_100000225617_100011218342 [0,1,0,0,0,0|3,0,0]=4 1618 B13R1.42 C=CCN(C)CSc1ccccc1 269982a_100000225617_100011218342 [0,1,0,0,0,0|3,0,0]=4 1619 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,1,0,0,0,0|2,0,0]=3 1620 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,1,0,0,0,0|2,0,0]=3 1621 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 34a_100000731007_100000721315 [0,1,0,0,0,0|3,0,0]=4 1622 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 7a_100000731007_100000721315 [0,1,0,0,0,0|3,0,0]=4 1623 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 34a_100000731007_100000733263 [0,1,0,0,0,0|3,0,0]=4 1624 B13R1.42 C=CC[C@@H](C)OCc1cccnc1 7a_100000731007_100000741622 [0,1,0,0,0,0|3,0,0]=4 1625 B13R1.42 C=CC[C@@H](C)OCc1ccncc1 7a_100000731007_100015193705 [0,1,0,0,0,0|3,0,0]=4 1626 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,1,0,0,0,0|2,0,1]=4 1627 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,1,0,0,0,0|2,0,1]=4 1628 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,1,0,0,0,0|2,0,1]=4 1629 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,1,0,0,0,0|2,0,1]=4 1630 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,1,0,0,0,0|2,0,1]=4 1631 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,1,0,0,0,0|2,0,1]=4 1632 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,0,0,0,0|1,0,2]=4 1633 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,0,0,0,0|1,0,2]=4 1634 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,1,0,0,0,0|1,0,2]=4 1635 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,1,0,0,0,0|1,0,2]=4 1636 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,1,0,0,0,0|1,0,2]=4 1637 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,1,0,0,0,0|1,0,2]=4 1638 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,1,0,0,0,0|1,0,1]=3 1639 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,1,0,0,0,0|2,0,1]=4 1640 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,1,0,0,0,0|2,0,1]=4 1641 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,1,0,0,0,0|2,0,1]=4 1642 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,1,0,0,0,0|2,0,1]=4 1643 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,1,0,0,0,0|2,0,1]=4 1644 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,1,0,0,0,0|2,0,1]=4 1645 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,1,0,0,0,0|2,0,1]=4 1646 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,1,0,0,0,0|2,0,1]=4 1647 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,1,0,0,0,0|2,0,1]=4 1648 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,0,0,0,0|2,0,1]=4 1649 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,0,0,0,0|2,0,1]=4 1650 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,0,0,0,0|2,0,1]=4 1651 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,0,0,0,0|2,0,1]=4 1652 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,0,0,0,0|2,0,1]=4 1653 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,0,0,0,0|2,0,1]=4 1654 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,0,0,0,0|2,0,1]=4 1655 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,0,0,0,0|2,0,1]=4 1656 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,0,0,0,0|2,0,1]=4 1657 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,0,0,0,0|2,0,1]=4 1658 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,0,0,0,0|2,0,1]=4 1659 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,0,0,0,0|2,0,1]=4 1660 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,1,0,0,0,0|2,0,1]=4 1661 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,1,0,0,0,0|2,0,1]=4 1662 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,1,0,0,0,0|2,0,1]=4 1663 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,1,0,0,0,0|2,0,1]=4 1664 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,0,0,0,0|1,0,1]=3 1665 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,0,0,0,0|1,0,1]=3 1666 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,0,0,0,0|1,0,1]=3 1667 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,1,0,0,0,0|2,0,1]=4 1668 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,1,0,0,0,0|2,0,1]=4 1669 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,1,0,0,0,0|2,0,1]=4 1670 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,1,0,0,0,0|2,0,1]=4 1671 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,1,0,0,0,0|2,0,1]=4 1672 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,1,0,0,0,0|2,0,1]=4 1673 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,0,0,0|1,0,1]=3 1674 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,0,0,0|1,0,1]=3 1675 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [0,1,0,0,0,0|2,0,1]=4 1676 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [0,1,0,0,0,0|2,0,1]=4 1677 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [0,1,0,0,0,0|2,0,1]=4 1678 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,1,0,0,0,0|1,0,0]=2 1679 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,1,0,0,0,0|1,0,0]=2 1680 B13R1.42 CN(CC=O)CCc1ccccn1 2230a_100000737206_200015260668 [0,1,0,0,0,0|2,0,0]=3 1681 B13R1.42 CN(CC=O)CCc1ccccn1 269982a_100000737206_200015260668 [0,1,0,0,0,0|2,0,0]=3 1682 B13R1.42 CN(CC=O)CCc1cccnc1 2230a_100000763209_200015260668 [0,1,0,0,0,0|2,0,0]=3 1683 B13R1.42 CN(CC=O)CCc1cccnc1 269982a_100000763209_200015260668 [0,1,0,0,0,0|2,0,0]=3 1684 B13R1.42 CN(CC=O)CCc1ccncc1 2230a_100000742850_200015260668 [0,1,0,0,0,0|2,0,0]=3 1685 B13R1.42 CN(CC=O)CCc1ccncc1 269982a_100000742850_200015260668 [0,1,0,0,0,0|2,0,0]=3 1686 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,1,0,0,0,0|2,0,1]=4 1687 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,1,0,0,0,0|2,0,1]=4 1688 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,1,0,0,0,0|1,0,2]=4 1689 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,1,0,0,0,0|1,0,2]=4 1690 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,1,0,0,0,0|1,0,2]=4 1691 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,1,0,0,0,0|1,0,2]=4 1692 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,0,0,0,0|1,0,2]=4 1693 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,0,0,0,0|1,0,2]=4 1694 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,0,0,0,0|1,0,2]=4 1695 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,0,0,0,0|1,0,2]=4 1696 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,0,0,0,0|1,0,2]=4 1697 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,0,0,0,0|1,0,2]=4 1698 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,0,0,0,0|1,0,2]=4 1699 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,0,0,0,0|1,0,2]=4 1700 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,0,0,0,0|1,0,2]=4 1701 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,0,0,0,0|1,0,2]=4 1702 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,0,0,0,0|1,0,2]=4 1703 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,0,0,0,0|1,0,2]=4 1704 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,0,0,0,0|1,0,2]=4 1705 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,0,0,0,0|1,0,2]=4 1706 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,0,0,0,0|1,1,1]=4 1707 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,1,0,0,0,0|1,1,1]=4 1708 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,1,0,0,0,0|1,1,1]=4 1709 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,1,0,0,0,0|2,0,1]=4 1710 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,1,0,0,0,0|2,0,1]=4 1711 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,0,0,0,0|1,0,1]=3 1712 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,0,0,0,0|1,0,1]=3 1713 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,0,0,0,0|1,0,2]=4 1714 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,0,0,0,0|1,0,2]=4 1715 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,0,0,0,0|1,0,2]=4 1716 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,0,0,0,0|1,0,2]=4 1717 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,0,0,0,0|1,0,2]=4 1718 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,1,0,0,0,0|2,0,1]=4 1719 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,1,0,0,0,0|2,0,1]=4 1720 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,1,0,0,0,0|2,0,1]=4 1721 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,0|1,0,2]=4 1722 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,0|2,0,1]=4 1723 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,1,0,0,0,0|1,0,1]=3 1724 B13R1.135 C=CC(C)C(=O)Cc1ccccn1 1458a_100011216780_100000721315 [0,1,0,0,0,0|2,0,1]=4 1725 B13R1.135 C=CC(C)C(=O)Cc1cccnc1 1458a_100011216780_100000733263 [0,1,0,0,0,0|2,0,1]=4 1726 B13R1.135 C=CC(C)C(=O)Cc1ccncc1 1458a_100011216780_100000705612 [0,1,0,0,0,0|2,0,1]=4 1727 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [0,1,0,0,0,0|2,0,1]=4 1728 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [0,1,0,0,0,0|2,0,1]=4 1729 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [0,1,0,0,0,0|2,0,1]=4 1730 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [0,1,0,0,0,0|2,0,1]=4 1731 B13R1.135 C=CC(C)N(C)Cc1ccccc1 269982a_100000186898_100011215867 [0,1,0,0,0,0|2,0,0]=3 1732 B13R1.135 C=CC(C)N(C)Cc1ccccn1 269982a_100000207498_100011215867 [0,1,0,0,0,0|3,0,0]=4 1733 B13R1.135 C=CC(C)N(C)Cc1cccnc1 269982a_100000184577_100011215867 [0,1,0,0,0,0|3,0,0]=4 1734 B13R1.135 C=CC(C)N(C)Cc1ccncc1 269982a_100000187231_100011215867 [0,1,0,0,0,0|3,0,0]=4 1735 B13R1.135 CC(C#N)C(=O)Cc1ccccc1 1458a_100000753662_100015291786 [0,1,0,0,0,0|1,0,2]=4 1736 B13R1.135 CC(C#N)N(C)Cc1ccccc1 2230a_100000186898_100000184139 [0,1,0,0,0,0|2,0,1]=4 1737 B13R1.135 CC(C#N)N(C)Cc1ccccc1 269982a_100000186898_100000703298 [0,1,0,0,0,0|2,0,1]=4 1738 B13R1.135 CC(C#N)N(C)Cc1ccccc1 270004a_100000745055_100015611070 [0,1,0,0,0,0|2,0,1]=4 1739 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,1,0,0,0,0|1,0,2]=4 1740 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,1,0,0,0,0|1,0,2]=4 1741 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,1,0,0,0,0|1,0,2]=4 1742 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,1,0,0,0,0|1,0,2]=4 1743 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,0,0,0,0|1,0,2]=4 1744 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,0,0,0,0|2,0,1]=4 1745 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,0,0,0,0|2,0,1]=4 1746 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,0,0,0,0|2,0,1]=4 1747 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,0,0,0,0|2,0,1]=4 1748 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,0,0,0,0|2,0,1]=4 1749 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,0,0,0,0|2,0,1]=4 1750 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,0,0,0,0|2,0,1]=4 1751 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,0,0,0,0|2,0,1]=4 1752 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,0,0,0,0|2,0,1]=4 1753 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,1,0,0,0,0|2,0,1]=4 1754 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,1,0,0,0,0|2,0,0]=3 1755 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,1,0,0,0,0|2,0,0]=3 1756 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,1,0,0,0,0|3,0,0]=4 1757 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,0|2,0,1]=4 1758 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,1,0,0,0,0|3,0,0]=4 1759 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,1,0,0,0,0|2,0,1]=4 1760 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,1,0,0,0,0|1,0,2]=4 1761 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,1,0,0,0,0|1,0,2]=4 1762 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,1,0,0,0,0|1,0,2]=4 1763 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,1,0,0,0,0|1,0,2]=4 1764 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,1,0,0,0,0|1,0,2]=4 1765 B13R1.254 C#CC(C)(C)NCc1ccccc1 270004a_100000054563_100015611070 [0,1,0,0,0,0|2,0,1]=4 1766 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100000054563_100015291786 [0,1,0,0,0,0|2,0,1]=4 1767 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100015324214_100000038118 [0,1,0,0,0,0|2,0,1]=4 1768 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000189450_100015291786 [0,1,0,0,0,0|2,0,1]=4 1769 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000210790_100000038118 [0,1,0,0,0,0|2,0,1]=4 1770 B13R1.254 C#CC(C)(C)OCc1ccccc1 7a_100000189450_100000211182 [0,1,0,0,0,0|2,0,1]=4 1771 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000038118_100015291786 [0,1,0,0,0,0|2,0,1]=4 1772 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000211182_100000038118 [0,1,0,0,0,0|2,0,1]=4 1773 B13R1.254 C=CC(C)(C)OCc1ccccc1 34a_100011215311_100015291786 [0,1,0,0,0,0|2,0,0]=3 1774 B13R1.254 C=CC(C)(C)OCc1ccccc1 7a_100011215311_100000211182 [0,1,0,0,0,0|2,0,0]=3 1775 B13R1.254 C=CC(C)(C)OCc1ccccn1 34a_100011215311_100000721315 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.254 C=CC(C)(C)OCc1ccccn1 7a_100011215311_100000721315 [0,1,0,0,0,0|3,0,0]=4 1777 B13R1.254 C=CC(C)(C)OCc1cccnc1 34a_100011215311_100000733263 [0,1,0,0,0,0|3,0,0]=4 1778 B13R1.254 C=CC(C)(C)OCc1cccnc1 7a_100011215311_100000741622 [0,1,0,0,0,0|3,0,0]=4 1779 B13R1.254 C=CC(C)(C)OCc1ccncc1 7a_100011215311_100015193705 [0,1,0,0,0,0|3,0,0]=4 1780 B13R1.254 C=CC(F)(F)SCc1ccccc1 62a_100000211182_100009814244 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.254 C=CC(F)(F)SCc1ccccc1 62a_100009814244_100015291786 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.254 C=C[Si](C)(C)CSc1ccccc1 62a_100000038793_100000041952 [0,1,0,0,0,0|2,1,0]=4 1783 B13R1.254 C=C[Si](C)(C)CSc1ccccc1 62a_100000719477_100000038793 [0,1,0,0,0,0|2,1,0]=4 1784 B13R1.254 CC(C)(C#N)NCc1ccccc1 34a_100015324214_100011162410 [0,1,0,0,0,0|2,0,1]=4 1785 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_100000210790_100011162410 [0,1,0,0,0,0|2,0,1]=4 1786 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_200015195151_100015291786 [0,1,0,0,0,0|2,0,1]=4 1787 B13R1.254 CC(C)(C#N)OCc1ccccc1 7a_100000210790_100011162410 [0,1,0,0,0,0|2,0,1]=4 1788 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100000211182_100011162410 [0,1,0,0,0,0|2,0,1]=4 1789 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100011162410_100015291786 [0,1,0,0,0,0|2,0,1]=4 1790 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,1,0,0,0,0|2,0,0]=3 1791 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,1,0,0,0,0|2,0,1]=4 1792 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,1,0,0,0,0|1,0,2]=4 1793 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,1,0,0,0,0|1,0,2]=4 1794 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,1,0,0,0,0|1,0,2]=4 1795 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,1,0,0,0,0|1,0,2]=4 1796 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,1,0,0,0,0|1,0,2]=4 1797 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,1,0,0,0,0|1,0,2]=4 1798 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,1,0,0,0,0|1,0,2]=4 1799 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,1,0,0,0,0|1,0,2]=4 1800 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,1,0,0,0,0|2,0,1]=4 1801 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,1,0,0,0,0|2,0,1]=4 1802 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,1,0,0,0,0|2,0,1]=4 1803 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,1,0,0,0,0|2,0,1]=4 1804 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,1,0,0,0,0|2,0,1]=4 1805 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,1,0,0,0,0|2,0,1]=4 1806 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,1,0,0,0,0|2,0,1]=4 1807 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,1,0,0,0,0|2,0,0]=3 1808 B13R1.254 COC(C)(C)CNc1ccccc1 34a_100000106764_100000701081 [0,1,0,0,0,0|3,0,0]=4 1809 B13R1.254 COC(C)(C)COc1ccccc1 34a_100000210340_100000701081 [0,1,0,0,0,0|3,0,0]=4 1810 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000701081_100000041952 [0,1,0,0,0,0|3,0,0]=4 1811 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000719477_100000701081 [0,1,0,0,0,0|3,0,0]=4 1812 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,1,0,0,0,0|2,0,1]=4 1813 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,1,0,0,0,0|2,0,0]=3 1814 B13R1.351 C=C(C)C(C)NCc1cccnc1 269862a_100000210453_100011216138 [0,1,0,0,0,0|3,0,0]=4 1815 B13R1.351 C=C(C)C(C)NCc1ccncc1 269862a_100000210450_100011216138 [0,1,0,0,0,0|3,0,0]=4 1816 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,0|2,0,1]=4 1817 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,0|2,0,1]=4 1818 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,0|2,0,1]=4 1819 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,0|2,0,1]=4 1820 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,0|0,0,0]=1 1821 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,0|1,0,0]=2 1822 B13R1.351 CC(=O)C(C)NCc1cccnn1 2230a_100159270163_100009814033 [0,1,0,0,0,0|3,0,0]=4 1823 B13R1.351 CC(=O)C(C)NCc1cncnc1 2230a_100011243677_100009814033 [0,1,0,0,0,0|3,0,0]=4 1824 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,0|1,0,0]=2 1825 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,0|1,0,0]=2 1826 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,1,0,0,0,0|2,0,0]=3 1827 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,1,0,0,0,0|2,0,0]=3 1828 B13R1.351 CC(=O)C(C)OCc1cccnn1 34a_100000212229_100016990269 [0,1,0,0,0,0|3,0,0]=4 1829 B13R1.351 CC(=O)C(C)OCc1cnccn1 34a_100000212229_100016995436 [0,1,0,0,0,0|3,0,0]=4 1830 B13R1.351 CC(=O)C(C)OCc1cncnc1 34a_100000212229_100015196519 [0,1,0,0,0,0|3,0,0]=4 1831 B13R1.351 CC(=O)C(C)OCc1ncccn1 34a_100000212229_100000703007 [0,1,0,0,0,0|3,0,0]=4 1832 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,0|1,0,0]=2 1833 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,0|1,0,0]=2 1834 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,0|1,0,0]=2 1835 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,1,0,0,0,0|2,0,0]=3 1836 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,1,0,0,0,0|2,0,0]=3 1837 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,1,0,0,0,0|2,0,0]=3 1838 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,1,0,0,0,0|2,0,0]=3 1839 B13R1.351 CC(=O)C(C)SCc1cccnn1 62a_100009814033_100016990269 [0,1,0,0,0,0|3,0,0]=4 1840 B13R1.351 CC(=O)C(C)SCc1cccnn1 62a_100016990269_100009814033 [0,1,0,0,0,0|3,0,0]=4 1841 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,1,0,0,0,0|2,0,0]=3 1842 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,1,0,0,0,0|2,0,0]=3 1843 B13R1.351 CC(=O)C(C)SCc1cnccn1 62a_100009814033_100016995436 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.351 CC(=O)C(C)SCc1cnccn1 62a_100016995436_100009814033 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.351 CC(=O)C(C)SCc1cncnc1 62a_100009814033_100015196519 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.351 CC(=O)C(C)SCc1cncnc1 62a_100015196519_100009814033 [0,1,0,0,0,0|3,0,0]=4 1847 B13R1.351 CC(=O)C(C)SCc1ncccn1 62a_100000703007_100009814033 [0,1,0,0,0,0|3,0,0]=4 1848 B13R1.351 CC(=O)C(C)SCc1ncccn1 62a_100009814033_100000703007 [0,1,0,0,0,0|3,0,0]=4 1849 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,0|1,0,0]=2 1850 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,0|1,0,0]=2 1851 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,0|1,0,0]=2 1852 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,0|1,0,0]=2 1853 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,0|1,0,0]=2 1854 B13R1.351 CC(=O)N(C)CCc1ccccn1 11a_100000737206_100015343762 [0,1,0,0,0,0|2,0,0]=3 1855 B13R1.351 CC(=O)N(C)CCc1ccccn1 1626a_100000737206_100015343762 [0,1,0,0,0,0|2,0,0]=3 1856 B13R1.351 CC(=O)N(C)CCc1ccccn1 240690a_100000737206_100015343762 [0,1,0,0,0,0|2,0,0]=3 1857 B13R1.351 CC(=O)N(C)CCc1ccccn1 527a_100000737206_100103153847 [0,1,0,0,0,0|2,0,0]=3 1858 B13R1.351 CC(=O)N(C)CCc1cccnc1 11a_100000763209_100015343762 [0,1,0,0,0,0|2,0,0]=3 1859 B13R1.351 CC(=O)N(C)CCc1cccnc1 1626a_100000763209_100015343762 [0,1,0,0,0,0|2,0,0]=3 1860 B13R1.351 CC(=O)N(C)CCc1cccnc1 240690a_100000763209_100015343762 [0,1,0,0,0,0|2,0,0]=3 1861 B13R1.351 CC(=O)N(C)CCc1cccnc1 527a_100000763209_100103153847 [0,1,0,0,0,0|2,0,0]=3 1862 B13R1.351 CC(=O)N(C)CCc1ccncc1 11a_100000742850_100015343762 [0,1,0,0,0,0|2,0,0]=3 1863 B13R1.351 CC(=O)N(C)CCc1ccncc1 240690a_100000742850_100015343762 [0,1,0,0,0,0|2,0,0]=3 1864 B13R1.351 CC(=O)N(C)CCc1ccncc1 527a_100000742850_100103153847 [0,1,0,0,0,0|2,0,0]=3 1865 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,0|1,0,0]=2 1866 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,1,0,0,0,0|2,0,1]=4 1867 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,1,0,0,0,0|2,0,1]=4 1868 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,1,0,0,0,0|2,0,1]=4 1869 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,1,0,0,0,0|2,0,1]=4 1870 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,1,0,0,0,0|2,0,1]=4 1871 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,1,0,0,0,0|2,0,1]=4 1872 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,1,0,0,0,0|2,0,1]=4 1873 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,1,0,0,0,0|2,0,1]=4 1874 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,1,0,0,0,0|2,0,1]=4 1875 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,1,0,0,0,0|2,0,1]=4 1876 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,1,0,0,0,0|2,0,1]=4 1877 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,1,0,0,0,0|2,0,1]=4 1878 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,1,0,0,0,0|2,0,1]=4 1879 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,0|0,0,0]=1 1880 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,1,0,0,0,0|2,0,0]=3 1881 B13R1.351 CC(COc1ccccc1)N(C)C 270004a_100102631434_100000150576 [0,1,0,0,0,0|3,0,0]=4 1882 B13R1.351 CC(CSc1ccccc1)N(C)C 270004a_100102631434_100000150717 [0,1,0,0,0,0|3,0,0]=4 1883 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,0|1,0,0]=2 1884 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,0|1,0,0]=2 1885 B13R1.351 CC(NCc1cccnn1)C(=O)N 2230a_100159270163_100000702099 [0,1,0,0,0,0|3,0,0]=4 1886 B13R1.351 CC(NCc1cncnc1)C(=O)N 2230a_100011243677_100000702099 [0,1,0,0,0,0|3,0,0]=4 1887 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,0|1,0,0]=2 1888 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,0|1,0,0]=2 1889 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,0|1,0,0]=2 1890 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,0|1,0,0]=2 1891 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,0|1,0,0]=2 1892 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000702099_100000721315 [0,1,0,0,0,0|2,0,0]=3 1893 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000721315_100000702099 [0,1,0,0,0,0|2,0,0]=3 1894 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000702099_100000741622 [0,1,0,0,0,0|2,0,0]=3 1895 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000741622_100000702099 [0,1,0,0,0,0|2,0,0]=3 1896 B13R1.351 CC(SCc1cccnn1)C(=O)N 62a_100000702099_100016990269 [0,1,0,0,0,0|3,0,0]=4 1897 B13R1.351 CC(SCc1cccnn1)C(=O)N 62a_100016990269_100000702099 [0,1,0,0,0,0|3,0,0]=4 1898 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100000702099_100015193705 [0,1,0,0,0,0|2,0,0]=3 1899 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100015193705_100000702099 [0,1,0,0,0,0|2,0,0]=3 1900 B13R1.351 CC(SCc1cnccn1)C(=O)N 62a_100000702099_100016995436 [0,1,0,0,0,0|3,0,0]=4 1901 B13R1.351 CC(SCc1cnccn1)C(=O)N 62a_100016995436_100000702099 [0,1,0,0,0,0|3,0,0]=4 1902 B13R1.351 CC(SCc1cncnc1)C(=O)N 62a_100000702099_100015196519 [0,1,0,0,0,0|3,0,0]=4 1903 B13R1.351 CC(SCc1cncnc1)C(=O)N 62a_100015196519_100000702099 [0,1,0,0,0,0|3,0,0]=4 1904 B13R1.351 CC(SCc1ncccn1)C(=O)N 62a_100000702099_100000703007 [0,1,0,0,0,0|3,0,0]=4 1905 B13R1.351 CC(SCc1ncccn1)C(=O)N 62a_100000703007_100000702099 [0,1,0,0,0,0|3,0,0]=4 1906 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,0|1,0,0]=2 1907 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,0|1,0,0]=2 1908 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,0|1,0,0]=2 1909 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 2230a_100000119354_100000721315 [0,1,0,0,0,0|2,0,0]=3 1910 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 270004a_100000119354_100000209966 [0,1,0,0,0,0|2,0,0]=3 1911 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 34a_100000119354_100000721315 [0,1,0,0,0,0|2,0,0]=3 1912 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 2230a_100000119354_100000741622 [0,1,0,0,0,0|2,0,0]=3 1913 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 270004a_100000119354_100000209961 [0,1,0,0,0,0|2,0,0]=3 1914 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 34a_100000119354_100000733263 [0,1,0,0,0,0|2,0,0]=3 1915 B13R1.351 C[C@@H](NCc1cccnn1)C(=O)N 2230a_100000119354_100016990269 [0,1,0,0,0,0|3,0,0]=4 1916 B13R1.351 C[C@@H](NCc1cccnn1)C(=O)N 34a_100000119354_100016990269 [0,1,0,0,0,0|3,0,0]=4 1917 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)N 2230a_100000119354_100015193705 [0,1,0,0,0,0|2,0,0]=3 1918 B13R1.351 C[C@@H](NCc1ccnnc1)C(=O)N 270004a_100000119354_100011934578 [0,1,0,0,0,0|3,0,0]=4 1919 B13R1.351 C[C@@H](NCc1cnccn1)C(=O)N 2230a_100000119354_100016995436 [0,1,0,0,0,0|3,0,0]=4 1920 B13R1.351 C[C@@H](NCc1cnccn1)C(=O)N 270004a_100000119354_100000749867 [0,1,0,0,0,0|3,0,0]=4 1921 B13R1.351 C[C@@H](NCc1cnccn1)C(=O)N 34a_100000119354_100016995436 [0,1,0,0,0,0|3,0,0]=4 1922 B13R1.351 C[C@@H](NCc1cncnc1)C(=O)N 2230a_100000119354_100015196519 [0,1,0,0,0,0|3,0,0]=4 1923 B13R1.351 C[C@@H](NCc1cncnc1)C(=O)N 270004a_100000119354_100000749868 [0,1,0,0,0,0|3,0,0]=4 1924 B13R1.351 C[C@@H](NCc1cncnc1)C(=O)N 34a_100000119354_100015196519 [0,1,0,0,0,0|3,0,0]=4 1925 B13R1.351 C[C@@H](NCc1ncccn1)C(=O)N 2230a_100000119354_100000703007 [0,1,0,0,0,0|3,0,0]=4 1926 B13R1.351 C[C@@H](NCc1ncccn1)C(=O)N 270004a_100000119354_100011532527 [0,1,0,0,0,0|3,0,0]=4 1927 B13R1.351 C[C@@H](NCc1ncccn1)C(=O)N 34a_100000119354_100000703007 [0,1,0,0,0,0|3,0,0]=4 1928 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,0|1,0,0]=2 1929 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,0|1,0,0]=2 1930 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 34a_100000731257_100000721315 [0,1,0,0,0,0|2,0,0]=3 1931 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 7a_100000731257_100000721315 [0,1,0,0,0,0|2,0,0]=3 1932 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 34a_100000731257_100000733263 [0,1,0,0,0,0|2,0,0]=3 1933 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 7a_100000731257_100000741622 [0,1,0,0,0,0|2,0,0]=3 1934 B13R1.351 C[C@@H](OCc1cccnn1)C(=O)N 34a_100000731257_100016990269 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.351 C[C@@H](OCc1cccnn1)C(=O)N 7a_100000731257_100016990269 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.351 C[C@@H](OCc1ccncc1)C(=O)N 7a_100000731257_100015193705 [0,1,0,0,0,0|2,0,0]=3 1937 B13R1.351 C[C@@H](OCc1cnccn1)C(=O)N 34a_100000731257_100016995436 [0,1,0,0,0,0|3,0,0]=4 1938 B13R1.351 C[C@@H](OCc1cnccn1)C(=O)N 7a_100000731257_100016995436 [0,1,0,0,0,0|3,0,0]=4 1939 B13R1.351 C[C@@H](OCc1cncnc1)C(=O)N 34a_100000731257_100015196519 [0,1,0,0,0,0|3,0,0]=4 1940 B13R1.351 C[C@@H](OCc1cncnc1)C(=O)N 7a_100000731257_100015196519 [0,1,0,0,0,0|3,0,0]=4 1941 B13R1.351 C[C@@H](OCc1ncccn1)C(=O)N 34a_100000731257_100000703007 [0,1,0,0,0,0|3,0,0]=4 1942 B13R1.351 C[C@@H](OCc1ncccn1)C(=O)N 7a_100000731257_100000703007 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,0|1,0,0]=2 1944 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,1,0,0,0,0|2,0,0]=3 1945 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,1,0,0,0,0|2,0,0]=3 1946 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O 269956a_100000743915_100016990269 [0,1,0,0,0,0|3,0,0]=4 1947 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,1,0,0,0,0|2,0,0]=3 1948 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,1,0,0,0,0|3,0,0]=4 1949 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O 269956a_100000743915_100016991940 [0,1,0,0,0,0|3,0,0]=4 1950 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O 269956a_100000743915_100000703007 [0,1,0,0,0,0|3,0,0]=4 1951 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,0|1,0,0]=2 1952 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,0|1,0,0]=2 1953 B13R1.351 C[C@H](OCc1ccccn1)C(=O)[O-] 7a_217856618621_100000721315 [0,1,0,0,0,0|2,0,0]=3 1954 B13R1.351 C[C@H](OCc1cccnc1)C(=O)[O-] 7a_217856618621_100000741622 [0,1,0,0,0,0|2,0,0]=3 1955 B13R1.351 C[C@H](OCc1cccnn1)C(=O)[O-] 7a_217856618621_100016990269 [0,1,0,0,0,0|3,0,0]=4 1956 B13R1.351 C[C@H](OCc1ccncc1)C(=O)[O-] 7a_217856618621_100015193705 [0,1,0,0,0,0|2,0,0]=3 1957 B13R1.351 C[C@H](OCc1cnccn1)C(=O)[O-] 7a_217856618621_100016995436 [0,1,0,0,0,0|3,0,0]=4 1958 B13R1.351 C[C@H](OCc1cncnc1)C(=O)[O-] 7a_217856618621_100015196519 [0,1,0,0,0,0|3,0,0]=4 1959 B13R1.351 C[C@H](OCc1ncccn1)C(=O)[O-] 7a_217856618621_100000703007 [0,1,0,0,0,0|3,0,0]=4 1960 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,1,0,0,0,0|2,0,1]=4 1961 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,1,0,0,0,0|2,0,0]=3 1962 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,1,0,0,0,0|2,0,0]=3 1963 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,1,0,0,0,0|2,0,0]=3 1964 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,1,0,0,0,0|2,0,0]=3 1965 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,1,0,0,0,0|2,0,0]=3 1966 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,1,0,0,0,0|2,0,0]=3 1967 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100000721315_100009813875 [0,1,0,0,0,0|3,0,0]=4 1968 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100009813875_100000721315 [0,1,0,0,0,0|3,0,0]=4 1969 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100000741622_100009813875 [0,1,0,0,0,0|3,0,0]=4 1970 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100009813875_100000741622 [0,1,0,0,0,0|3,0,0]=4 1971 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100009813875_100015193705 [0,1,0,0,0,0|3,0,0]=4 1972 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100015193705_100009813875 [0,1,0,0,0,0|3,0,0]=4 1973 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,1,0,0,0,0|2,0,0]=3 1974 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,1,0,0,0,0|2,0,0]=3 1975 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,1,0,0,0,0|2,0,0]=3 1976 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,1,0,0,0,0|2,0,0]=3 1977 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100000721315_100020610796 [0,1,0,0,0,0|3,0,0]=4 1978 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100020610796_100000721315 [0,1,0,0,0,0|3,0,0]=4 1979 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100000741622_100020610796 [0,1,0,0,0,0|3,0,0]=4 1980 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100020610796_100000741622 [0,1,0,0,0,0|3,0,0]=4 1981 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100015193705_100020610796 [0,1,0,0,0,0|3,0,0]=4 1982 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100020610796_100015193705 [0,1,0,0,0,0|3,0,0]=4 1983 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,0|1,0,0]=2 1984 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,1,0,0,0,0|2,0,1]=4 1985 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,1,0,0,0,0|2,0,1]=4 1986 B13R1.417 C=CC(C=C)OCc1ccccc1 34a_100000033096_100015291786 [0,1,0,0,0,0|2,0,1]=4 1987 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,1,0,0,0,0|2,0,0]=3 1988 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,1,0,0,0,0|2,0,0]=3 1989 B13R1.417 C=CC(CC)OCc1ccccn1 34a_100000766422_100000721315 [0,1,0,0,0,0|3,0,0]=4 1990 B13R1.417 C=CC(CC)OCc1ccccn1 7a_100000766422_100000721315 [0,1,0,0,0,0|3,0,0]=4 1991 B13R1.417 C=CC(CC)OCc1cccnc1 34a_100000766422_100000733263 [0,1,0,0,0,0|3,0,0]=4 1992 B13R1.417 C=CC(CC)OCc1cccnc1 7a_100000766422_100000741622 [0,1,0,0,0,0|3,0,0]=4 1993 B13R1.417 C=CC(CC)OCc1ccncc1 7a_100000766422_100015193705 [0,1,0,0,0,0|3,0,0]=4 1994 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,1,0,0,0,0|2,0,0]=3 1995 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,1,0,0,0,0|2,0,0]=3 1996 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,1,0,0,0,0|2,0,0]=3 1997 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 2230a_100016989147_100000721315 [0,1,0,0,0,0|3,0,0]=4 1998 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 270004a_100016989147_100000209966 [0,1,0,0,0,0|3,0,0]=4 1999 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 34a_100016989147_100000721315 [0,1,0,0,0,0|3,0,0]=4 2000 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 2230a_100016989147_100000741622 [0,1,0,0,0,0|3,0,0]=4 2001 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 270004a_100016989147_100000209961 [0,1,0,0,0,0|3,0,0]=4 2002 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 34a_100016989147_100000733263 [0,1,0,0,0,0|3,0,0]=4 2003 B13R1.417 C=C[C@@H](CO)NCc1ccncc1 2230a_100016989147_100015193705 [0,1,0,0,0,0|3,0,0]=4 2004 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,1,0,0,0,0|2,0,1]=4 2005 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,1,0,0,0,0|2,0,1]=4 2006 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,1,0,0,0,0|2,0,1]=4 2007 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,1,0,0,0,0|2,0,1]=4 2008 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,1,0,0,0,0|2,0,1]=4 2009 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,1,0,0,0,0|2,0,1]=4 2010 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,1,0,0,0,0|2,0,1]=4 2011 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,1,0,0,0,0|2,0,1]=4 2012 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,1,0,0,0,0|2,0,1]=4 2013 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,1,0,0,0,0|2,0,1]=4 2014 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,1,0,0,0,0|2,0,1]=4 2015 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,1,0,0,0,0|2,0,1]=4 2016 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,1,0,0,0,0|2,0,1]=4 2017 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,1,0,0,0,0|1,0,1]=3 2018 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,1,0,0,0,0|2,0,1]=4 2019 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,1,0,0,0,0|2,0,1]=4 2020 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,1,0,0,0,0|2,0,1]=4 2021 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,1,0,0,0,0|2,0,1]=4 2022 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,1,0,0,0,0|2,0,1]=4 2023 B13R1.417 CCN(CF)CCc1ccccc1 269982a_100000741020_100015361967 [0,1,0,0,0,0|2,0,1]=4 2024 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,1,0,0,0,0|1,0,2]=4 2025 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,1,0,0,0,0|1,0,2]=4 2026 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,1,0,0,0,0|1,0,2]=4 2027 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,0|2,0,1]=4 2028 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,1,0,0,0,0|3,0,0]=4 2029 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,1,0,0,0,0|3,0,0]=4 2030 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,1,0,0,0,0|3,0,0]=4 2031 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,1,0,0,0,0|2,0,1]=4 2034 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,1,0,0,0,0|2,0,1]=4 2035 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,1,0,0,0,0|2,0,1]=4 2036 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,1,0,0,0,0|2,0,1]=4 2037 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,1,0,0,0,0|2,0,1]=4 2038 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,1,0,0,0,0|2,0,1]=4 2039 B13R1.417 O=CC(C=O)NCc1ccccc1 2230a_100015324214_100000736813 [0,1,0,0,0,0|1,0,1]=3 2040 B13R1.417 O=CC(C=O)NCc1ccccc1 34a_100015324214_100000736813 [0,1,0,0,0,0|1,0,1]=3 2041 B13R1.417 O=CC(C=O)OCc1ccccc1 34a_100000210790_100000736813 [0,1,0,0,0,0|1,0,1]=3 2042 B13R1.417 O=CC(C=O)SCc1ccccc1 62a_100000211182_100000736813 [0,1,0,0,0,0|1,0,1]=3 2043 B13R1.417 O=CC(C=O)SCc1ccccc1 62a_100000736813_100015291786 [0,1,0,0,0,0|1,0,1]=3 2044 B13R1.417 O=CC(C=O)SCc1ccccn1 62a_100000721315_100000736813 [0,1,0,0,0,0|2,0,1]=4 2045 B13R1.417 O=CC(C=O)SCc1ccccn1 62a_100000736813_100000721315 [0,1,0,0,0,0|2,0,1]=4 2046 B13R1.417 O=CC(C=O)SCc1cccnc1 62a_100000736813_100000741622 [0,1,0,0,0,0|2,0,1]=4 2047 B13R1.417 O=CC(C=O)SCc1cccnc1 62a_100000741622_100000736813 [0,1,0,0,0,0|2,0,1]=4 2048 B13R1.417 O=CC(C=O)SCc1ccncc1 62a_100000736813_100015193705 [0,1,0,0,0,0|2,0,1]=4 2049 B13R1.417 O=CC(C=O)SCc1ccncc1 62a_100015193705_100000736813 [0,1,0,0,0,0|2,0,1]=4 2050 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,1,0,0,0,0|1,0,2]=4 2051 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,1,0,0,0,0|1,0,2]=4 2052 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,0|2,0,1]=4 2053 B13R1.528 C#CC(C)NCc1ccccc1Br 2230a_100000707721_100000184730 [0,1,0,0,0,0|2,0,1]=4 2054 B13R1.528 C#CC(C)NCc1ccccc1Br 270004a_100000707721_100000211189 [0,1,0,0,0,0|2,0,1]=4 2055 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000689332_200000035995 [0,1,0,0,0,0|2,0,1]=4 2056 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000707721_100000184730 [0,1,0,0,0,0|2,0,1]=4 2057 B13R1.528 C#CC(C)NCc1ccccc1C 2230a_100000707721_100000211839 [0,1,0,0,0,0|2,0,1]=4 2058 B13R1.528 C#CC(C)NCc1ccccc1C 270004a_100000707721_100000211143 [0,1,0,0,0,0|2,0,1]=4 2059 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000174972_200000035995 [0,1,0,0,0,0|2,0,1]=4 2060 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000707721_100000211839 [0,1,0,0,0,0|2,0,1]=4 2061 B13R1.528 C#CC(C)NCc1ccccc1Cl 2230a_100000707721_100000187162 [0,1,0,0,0,0|2,0,1]=4 2062 B13R1.528 C#CC(C)NCc1ccccc1Cl 270004a_100000707721_100000210073 [0,1,0,0,0,0|2,0,1]=4 2063 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000174879_200000035995 [0,1,0,0,0,0|2,0,1]=4 2064 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000707721_100000187162 [0,1,0,0,0,0|2,0,1]=4 2065 B13R1.528 C#CC(C)NCc1ccccc1F 2230a_100000707721_100000211605 [0,1,0,0,0,0|2,0,1]=4 2066 B13R1.528 C#CC(C)NCc1ccccc1F 270004a_100000707721_100000210811 [0,1,0,0,0,0|2,0,1]=4 2067 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000174869_200000035995 [0,1,0,0,0,0|2,0,1]=4 2068 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000707721_100000211605 [0,1,0,0,0,0|2,0,1]=4 2069 B13R1.528 C#CC(C)NCc1ccccc1I 2230a_100000707721_100011215278 [0,1,0,0,0,0|2,0,1]=4 2070 B13R1.528 C#CC(C)NCc1ccccc1I 270004a_100000707721_100000010305 [0,1,0,0,0,0|2,0,1]=4 2071 B13R1.528 C#CC(C)NCc1ccccc1I 34a_100000707721_100011215278 [0,1,0,0,0,0|2,0,1]=4 2072 B13R1.528 C#CC(C)NCc1ccccc1O 34a_100000185550_200000035995 [0,1,0,0,0,0|2,0,1]=4 2073 B13R1.528 C#CC(C)OCc1ccccc1Br 34a_100000756307_200000035995 [0,1,0,0,0,0|2,0,1]=4 2074 B13R1.528 C#CC(C)OCc1ccccc1C 34a_100000698903_200000035995 [0,1,0,0,0,0|2,0,1]=4 2075 B13R1.528 C#CC(C)OCc1ccccc1Cl 34a_100000210847_200000035995 [0,1,0,0,0,0|2,0,1]=4 2076 B13R1.528 C#CC(C)OCc1ccccc1F 34a_100000211962_200000035995 [0,1,0,0,0,0|2,0,1]=4 2077 B13R1.528 C#CC(C)OCc1ccccc1I 34a_100000187465_200000035995 [0,1,0,0,0,0|2,0,1]=4 2078 B13R1.528 C#CC(C)OCc1ccccc1N 34a_100000212039_200000035995 [0,1,0,0,0,0|2,0,1]=4 2079 B13R1.528 C#CC(C)SCc1ccccc1Br 62a_200000035995_100000184730 [0,1,0,0,0,0|2,0,1]=4 2080 B13R1.528 C#CC(C)SCc1ccccc1C 62a_200000035995_100000211839 [0,1,0,0,0,0|2,0,1]=4 2081 B13R1.528 C#CC(C)SCc1ccccc1Cl 62a_200000035995_100000187162 [0,1,0,0,0,0|2,0,1]=4 2082 B13R1.528 C#CC(C)SCc1ccccc1F 62a_200000035995_100000211605 [0,1,0,0,0,0|2,0,1]=4 2083 B13R1.528 C#CC(C)SCc1ccccc1I 62a_200000035995_100011216222 [0,1,0,0,0,0|2,0,1]=4 2084 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 34a_100009815206_100000184730 [0,1,0,0,0,0|2,0,1]=4 2085 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 7a_100009815206_100000184730 [0,1,0,0,0,0|2,0,1]=4 2086 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 34a_100009815206_100000211839 [0,1,0,0,0,0|2,0,1]=4 2087 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 7a_100009815206_100000211839 [0,1,0,0,0,0|2,0,1]=4 2088 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 34a_100009815206_100000187162 [0,1,0,0,0,0|2,0,1]=4 2089 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 7a_100009815206_100000187162 [0,1,0,0,0,0|2,0,1]=4 2090 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 34a_100009815206_100000211605 [0,1,0,0,0,0|2,0,1]=4 2091 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 7a_100009815206_100000211605 [0,1,0,0,0,0|2,0,1]=4 2092 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 34a_100009815206_100011215278 [0,1,0,0,0,0|2,0,1]=4 2093 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 7a_100009815206_100011215278 [0,1,0,0,0,0|2,0,1]=4 2094 B13R1.528 C=CC(=O)CCc1ccccc1Br 1458a_100000185746_100012161201 [0,1,0,0,0,0|2,0,1]=4 2095 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [0,1,0,0,0,0|2,0,1]=4 2096 B13R1.528 C=CC(=O)CCc1ccccc1Cl 1458a_100000185746_100011713703 [0,1,0,0,0,0|2,0,1]=4 2097 B13R1.528 C=CC(=O)CCc1ccccc1F 1458a_100000185746_100000720011 [0,1,0,0,0,0|2,0,1]=4 2098 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,1,0,0,0,0|2,0,1]=4 2099 B13R1.528 C=CC(C)OCc1ccccc1Br 34a_100000695699_100000184730 [0,1,0,0,0,0|2,0,0]=3 2100 B13R1.528 C=CC(C)OCc1ccccc1C 34a_100000695699_100000211839 [0,1,0,0,0,0|2,0,0]=3 2101 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,1,0,0,0,0|2,0,0]=3 2102 B13R1.528 C=CC(C)OCc1ccccc1F 34a_100000695699_100000211605 [0,1,0,0,0,0|2,0,0]=3 2103 B13R1.528 C=CC(C)OCc1ccccc1I 34a_100000695699_100011215278 [0,1,0,0,0,0|2,0,0]=3 2104 B13R1.528 C=CC(C)OCc1cccnc1Br 34a_100000695699_100010140945 [0,1,0,0,0,0|3,0,0]=4 2105 B13R1.528 C=CC(C)OCc1cccnc1C 34a_100000695699_100000732876 [0,1,0,0,0,0|3,0,0]=4 2106 B13R1.528 C=CC(C)OCc1cccnc1Cl 34a_100000695699_100000045678 [0,1,0,0,0,0|3,0,0]=4 2107 B13R1.528 C=CC(C)OCc1cccnc1F 34a_100000695699_100000099810 [0,1,0,0,0,0|3,0,0]=4 2108 B13R1.528 C=CC(C)OCc1ccncc1C 34a_100000695699_100020672809 [0,1,0,0,0,0|3,0,0]=4 2109 B13R1.528 C=CC(C)OCc1cnccc1C 34a_100000695699_100000690890 [0,1,0,0,0,0|3,0,0]=4 2110 B13R1.528 C=CC(C)OCc1ncccc1Br 34a_100000695699_100025702911 [0,1,0,0,0,0|3,0,0]=4 2111 B13R1.528 C=CC(C)OCc1ncccc1C 34a_100000695699_100000696600 [0,1,0,0,0,0|3,0,0]=4 2112 B13R1.528 C=CC(C)OCc1ncccc1F 34a_100000695699_100000104219 [0,1,0,0,0,0|3,0,0]=4 2113 B13R1.528 C=CC(C)OCc1ncccc1O 34a_100000695699_200020655725 [0,1,0,0,0,0|3,0,0]=4 2114 B13R1.528 C=CC(C)SCc1ccccc1Br 62a_100011215867_100000184730 [0,1,0,0,0,0|2,0,0]=3 2115 B13R1.528 C=CC(C)SCc1ccccc1C 62a_100011215867_100000211839 [0,1,0,0,0,0|2,0,0]=3 2116 B13R1.528 C=CC(C)SCc1ccccc1Cl 62a_100011215867_100000187162 [0,1,0,0,0,0|2,0,0]=3 2117 B13R1.528 C=CC(C)SCc1ccccc1F 62a_100011215867_100000211605 [0,1,0,0,0,0|2,0,0]=3 2118 B13R1.528 C=CC(C)SCc1ccccc1I 62a_100011215867_100011216222 [0,1,0,0,0,0|2,0,0]=3 2119 B13R1.528 C=CC(C)SCc1cccnc1Br 62a_100011215867_100010140945 [0,1,0,0,0,0|3,0,0]=4 2120 B13R1.528 C=CC(C)SCc1cccnc1C 62a_100011215867_100000732876 [0,1,0,0,0,0|3,0,0]=4 2121 B13R1.528 C=CC(C)SCc1cccnc1Cl 62a_100011215867_100000045678 [0,1,0,0,0,0|3,0,0]=4 2122 B13R1.528 C=CC(C)SCc1cccnc1F 62a_100011215867_100000099810 [0,1,0,0,0,0|3,0,0]=4 2123 B13R1.528 C=CC(C)SCc1ccncc1C 62a_100011215867_100020672808 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.528 C=CC(C)SCc1ccncc1Cl 62a_100011215867_100000763264 [0,1,0,0,0,0|3,0,0]=4 2125 B13R1.528 C=CC(C)SCc1cnccc1C 62a_100011215867_100000690890 [0,1,0,0,0,0|3,0,0]=4 2126 B13R1.528 C=CC(C)SCc1ncccc1Br 62a_100011215867_100025702911 [0,1,0,0,0,0|3,0,0]=4 2127 B13R1.528 C=CC(C)SCc1ncccc1C 62a_100011215867_100000696600 [0,1,0,0,0,0|3,0,0]=4 2128 B13R1.528 C=CC(C)SCc1ncccc1Cl 62a_100011215867_100000099807 [0,1,0,0,0,0|3,0,0]=4 2129 B13R1.528 C=CC(C)SCc1ncccc1F 62a_100011215867_100000104219 [0,1,0,0,0,0|3,0,0]=4 2130 B13R1.528 C=CC(C)SCc1ncccc1O 62a_100011215867_200020655725 [0,1,0,0,0,0|3,0,0]=4 2131 B13R1.528 C=CC(O)CNc1ccccc1Br 34a_100000210017_100000730141 [0,1,0,0,0,0|3,0,0]=4 2132 B13R1.528 C=CC(O)CNc1ccccc1C 34a_100015192222_100000730141 [0,1,0,0,0,0|3,0,0]=4 2133 B13R1.528 C=CC(O)CNc1ccccc1Cl 34a_100000185783_100000730141 [0,1,0,0,0,0|3,0,0]=4 2134 B13R1.528 C=CC(O)CNc1ccccc1F 34a_100000210422_100000730141 [0,1,0,0,0,0|3,0,0]=4 2135 B13R1.528 C=CC(O)CNc1ccccc1I 34a_100000210053_100000730141 [0,1,0,0,0,0|3,0,0]=4 2136 B13R1.528 C=CC(O)CNc1ccccc1O 34a_100000185747_100000730141 [0,1,0,0,0,0|3,0,0]=4 2137 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [0,1,0,0,0,0|3,0,0]=4 2138 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [0,1,0,0,0,0|3,0,0]=4 2139 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [0,1,0,0,0,0|3,0,0]=4 2140 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [0,1,0,0,0,0|3,0,0]=4 2141 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [0,1,0,0,0,0|3,0,0]=4 2142 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [0,1,0,0,0,0|3,0,0]=4 2143 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [0,1,0,0,0,0|3,0,0]=4 2144 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [0,1,0,0,0,0|3,0,0]=4 2145 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [0,1,0,0,0,0|3,0,0]=4 2146 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [0,1,0,0,0,0|3,0,0]=4 2147 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [0,1,0,0,0,0|3,0,0]=4 2148 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [0,1,0,0,0,0|3,0,0]=4 2149 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000695589_100000730141 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000730141_100000695589 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000210755_100000730141 [0,1,0,0,0,0|3,0,0]=4 2152 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000730141_100000210755 [0,1,0,0,0,0|3,0,0]=4 2153 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000730141_100000764095 [0,1,0,0,0,0|3,0,0]=4 2154 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000764095_100000730141 [0,1,0,0,0,0|3,0,0]=4 2155 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100000730141_100011215700 [0,1,0,0,0,0|3,0,0]=4 2156 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100011215700_100000730141 [0,1,0,0,0,0|3,0,0]=4 2157 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000210017_100000730141 [0,1,0,0,0,0|3,0,0]=4 2158 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000730141_100000210017 [0,1,0,0,0,0|3,0,0]=4 2159 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000730141_100000739446 [0,1,0,0,0,0|3,0,0]=4 2160 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000739446_100000730141 [0,1,0,0,0,0|3,0,0]=4 2161 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000689332_100000184139 [0,1,0,0,0,0|2,0,1]=4 2162 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000737613_100000184730 [0,1,0,0,0,0|2,0,1]=4 2163 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000174879_100000184139 [0,1,0,0,0,0|2,0,1]=4 2164 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000737613_100000187162 [0,1,0,0,0,0|2,0,1]=4 2165 B13R1.528 CC(C#N)NCc1ccccc1F 2230a_100000737613_100000211605 [0,1,0,0,0,0|2,0,1]=4 2166 B13R1.528 CC(C#N)NCc1ccccc1I 2230a_100000737613_100011215278 [0,1,0,0,0,0|2,0,1]=4 2167 B13R1.528 CC(C#N)OCc1ccccc1Br 34a_100011218135_100000184730 [0,1,0,0,0,0|2,0,1]=4 2168 B13R1.528 CC(C#N)OCc1ccccc1Br 7a_100000756307_100000703298 [0,1,0,0,0,0|2,0,1]=4 2169 B13R1.528 CC(C#N)OCc1ccccc1Cl 34a_100011218135_100000187162 [0,1,0,0,0,0|2,0,1]=4 2170 B13R1.528 CC(C#N)OCc1ccccc1Cl 7a_100000210847_100000703298 [0,1,0,0,0,0|2,0,1]=4 2171 B13R1.528 CC(C#N)OCc1ccccc1F 34a_100011218135_100000211605 [0,1,0,0,0,0|2,0,1]=4 2172 B13R1.528 CC(C#N)OCc1ccccc1F 7a_100000211962_100000703298 [0,1,0,0,0,0|2,0,1]=4 2173 B13R1.528 CC(C#N)OCc1ccccc1I 34a_100011218135_100011215278 [0,1,0,0,0,0|2,0,1]=4 2174 B13R1.528 CC(C#N)OCc1ccccc1I 7a_100000187465_100000703298 [0,1,0,0,0,0|2,0,1]=4 2175 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000184730_100000703298 [0,1,0,0,0,0|2,0,1]=4 2176 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000703298_100000184730 [0,1,0,0,0,0|2,0,1]=4 2177 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000187162_100000703298 [0,1,0,0,0,0|2,0,1]=4 2178 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000703298_100000187162 [0,1,0,0,0,0|2,0,1]=4 2179 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000211605_100000703298 [0,1,0,0,0,0|2,0,1]=4 2180 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000703298_100000211605 [0,1,0,0,0,0|2,0,1]=4 2181 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100000703298_100011216222 [0,1,0,0,0,0|2,0,1]=4 2182 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100011216222_100000703298 [0,1,0,0,0,0|2,0,1]=4 2183 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,1,0,0,0,0|2,0,1]=4 2184 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,1,0,0,0,0|2,0,1]=4 2185 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,1,0,0,0,0|2,0,1]=4 2186 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,1,0,0,0,0|2,0,1]=4 2187 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,1,0,0,0,0|2,0,1]=4 2188 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,1,0,0,0,0|2,0,1]=4 2189 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,1,0,0,0,0|2,0,1]=4 2190 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,1,0,0,0,0|2,0,1]=4 2191 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,1,0,0,0,0|2,0,1]=4 2192 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,0,0,0,0|2,0,1]=4 2193 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,1,0,0,0,0|2,0,1]=4 2194 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,1,0,0,0,0|2,0,1]=4 2195 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,1,0,0,0,0|1,0,2]=4 2196 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,1,0,0,0,0|1,0,2]=4 2197 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,1,0,0,0,0|1,0,2]=4 2198 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,1,0,0,0,0|1,0,2]=4 2199 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,1,0,0,0,0|1,0,2]=4 2200 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,1,0,0,0,0|1,0,2]=4 2201 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,1,0,0,0,0|1,0,2]=4 2202 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,1,0,0,0,0|1,0,2]=4 2203 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,1,0,0,0,0|1,0,2]=4 2204 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,1,0,0,0,0|1,0,2]=4 2205 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,1,0,0,0,0|1,0,2]=4 2206 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,1,0,0,0,0|1,0,2]=4 2207 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,1,0,0,0,0|1,0,2]=4 2208 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,1,0,0,0,0|1,0,2]=4 2209 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,1,0,0,0,0|1,0,2]=4 2210 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,1,0,0,0,0|1,0,2]=4 2211 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,1,0,0,0,0|1,0,2]=4 2212 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,1,0,0,0,0|1,0,2]=4 2213 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,1,0,0,0,0|1,0,2]=4 2214 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,1,0,0,0,0|2,0,1]=4 2215 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,1,0,0,0,0|2,0,1]=4 2216 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,1,0,0,0,0|2,0,1]=4 2217 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,1,0,0,0,0|2,0,1]=4 2218 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,1,0,0,0,0|2,0,1]=4 2219 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,1,0,0,0,0|2,0,1]=4 2220 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,1,0,0,0,0|2,0,1]=4 2221 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,1,0,0,0,0|2,0,1]=4 2222 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,1,0,0,0,0|2,0,1]=4 2223 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,1,0,0,0,0|2,0,1]=4 2224 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,1,0,0,0,0|2,0,1]=4 2225 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,1,0,0,0,0|2,0,1]=4 2226 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,1,0,0,0,0|2,0,1]=4 2227 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,1,0,0,0,0|2,0,1]=4 2228 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,1,0,0,0,0|2,0,1]=4 2229 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,1,0,0,0,0|2,0,1]=4 2230 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,1,0,0,0,0|2,0,1]=4 2231 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,1,0,0,0,0|2,0,1]=4 2232 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,1,0,0,0,0|2,0,1]=4 2233 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,1,0,0,0,0|2,0,1]=4 2234 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,1,0,0,0,0|2,0,1]=4 2235 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,1,0,0,0,0|2,0,1]=4 2236 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,1,0,0,0,0|2,0,1]=4 2237 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,1,0,0,0,0|2,0,1]=4 2238 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,1,0,0,0,0|2,0,1]=4 2239 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,1,0,0,0,0|2,0,1]=4 2240 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,1,0,0,0,0|2,0,1]=4 2241 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,1,0,0,0,0|2,0,1]=4 2242 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,1,0,0,0,0|2,0,1]=4 2243 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,1,0,0,0,0|2,0,1]=4 2244 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,1,0,0,0,0|2,0,1]=4 2245 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,1,0,0,0,0|2,0,1]=4 2246 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,1,0,0,0,0|2,0,1]=4 2247 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,1,0,0,0,0|2,0,1]=4 2248 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,1,0,0,0,0|2,0,1]=4 2249 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,1,0,0,0,0|2,0,1]=4 2250 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,1,0,0,0,0|2,0,1]=4 2251 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,1,0,0,0,0|2,0,1]=4 2252 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,1,0,0,0,0|2,0,1]=4 2253 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,1,0,0,0,0|2,0,1]=4 2254 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,1,0,0,0,0|2,0,1]=4 2255 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,1,0,0,0,0|2,0,1]=4 2256 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,1,0,0,0,0|2,0,1]=4 2257 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,1,0,0,0,0|2,0,1]=4 2258 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,1,0,0,0,0|2,0,1]=4 2259 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,1,0,0,0,0|2,0,1]=4 2260 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,1,0,0,0,0|2,0,1]=4 2261 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,1,0,0,0,0|2,0,1]=4 2262 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,1,0,0,0,0|2,0,1]=4 2263 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,1,0,0,0,0|2,0,1]=4 2264 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,1,0,0,0,0|2,0,1]=4 2265 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,1,0,0,0,0|2,0,1]=4 2266 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,1,0,0,0,0|2,0,1]=4 2267 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,1,0,0,0,0|2,0,1]=4 2268 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,1,0,0,0,0|2,0,1]=4 2269 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,1,0,0,0,0|2,0,1]=4 2270 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,1,0,0,0,0|2,0,1]=4 2271 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,1,0,0,0,0|2,0,1]=4 2272 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,1,0,0,0,0|2,0,1]=4 2273 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,1,0,0,0,0|2,0,1]=4 2274 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,1,0,0,0,0|2,0,1]=4 2275 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,1,0,0,0,0|2,0,1]=4 2276 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,1,0,0,0,0|2,0,1]=4 2277 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,1,0,0,0,0|2,0,1]=4 2278 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,1,0,0,0,0|2,0,1]=4 2279 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,1,0,0,0,0|2,0,1]=4 2280 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,1,0,0,0,0|2,0,1]=4 2281 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,1,0,0,0,0|2,0,1]=4 2282 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,1,0,0,0,0|2,0,1]=4 2283 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,1,0,0,0,0|2,0,1]=4 2284 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,1,0,0,0,0|2,0,1]=4 2285 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,1,0,0,0,0|2,0,1]=4 2286 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,1,0,0,0,0|2,0,1]=4 2287 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,1,0,0,0,0|2,0,1]=4 2288 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,1,0,0,0,0|2,0,1]=4 2289 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,1,0,0,0,0|2,0,1]=4 2290 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,1,0,0,0,0|2,0,1]=4 2291 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,1,0,0,0,0|2,0,1]=4 2292 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,1,0,0,0,0|2,0,1]=4 2293 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,1,0,0,0,0|2,0,1]=4 2294 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,1,0,0,0,0|2,0,1]=4 2295 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,1,0,0,0,0|2,0,1]=4 2296 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,1,0,0,0,0|2,0,1]=4 2297 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,1,0,0,0,0|2,0,1]=4 2298 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,1,0,0,0,0|2,0,1]=4 2299 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,1,0,0,0,0|2,0,1]=4 2300 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,1,0,0,0,0|2,0,1]=4 2301 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,1,0,0,0,0|2,0,1]=4 2302 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,1,0,0,0,0|2,0,1]=4 2303 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,1,0,0,0,0|2,0,1]=4 2304 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,1,0,0,0,0|2,0,1]=4 2305 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,1,0,0,0,0|2,0,1]=4 2306 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,1,0,0,0,0|2,0,1]=4 2307 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,1,0,0,0,0|2,0,1]=4 2308 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,1,0,0,0,0|2,0,1]=4 2309 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,1,0,0,0,0|2,0,1]=4 2310 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,1,0,0,0,0|2,0,1]=4 2311 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,1,0,0,0,0|2,0,1]=4 2312 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,1,0,0,0,0|2,0,1]=4 2313 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,1,0,0,0,0|2,0,1]=4 2314 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,1,0,0,0,0|2,0,1]=4 2315 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,1,0,0,0,0|2,0,1]=4 2316 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,1,0,0,0,0|2,0,1]=4 2317 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,1,0,0,0,0|2,0,1]=4 2318 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,1,0,0,0,0|2,0,1]=4 2319 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,1,0,0,0,0|2,0,1]=4 2320 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,1,0,0,0,0|2,0,1]=4 2321 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,1,0,0,0,0|2,0,1]=4 2322 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,1,0,0,0,0|2,0,1]=4 2323 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,1,0,0,0,0|2,0,1]=4 2324 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,1,0,0,0,0|2,0,1]=4 2325 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,1,0,0,0,0|2,0,1]=4 2326 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,1,0,0,0,0|2,0,1]=4 2327 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,1,0,0,0,0|2,0,1]=4 2328 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,1,0,0,0,0|2,0,1]=4 2329 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,1,0,0,0,0|2,0,1]=4 2330 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,1,0,0,0,0|2,0,1]=4 2331 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,1,0,0,0,0|2,0,1]=4 2332 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,1,0,0,0,0|2,0,1]=4 2333 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,1,0,0,0,0|2,0,1]=4 2334 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,1,0,0,0,0|2,0,1]=4 2335 B13R1.528 CN(CF)CCc1ccccc1F 269982a_100000232559_100015361967 [0,1,0,0,0,0|2,0,1]=4 2336 B13R1.528 CN(CF)CCc1ccccc1F 34a_100000232559_100015361967 [0,1,0,0,0,0|2,0,1]=4 2337 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [0,1,0,0,0,0|3,0,0]=4 2338 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [0,1,0,0,0,0|3,0,0]=4 2339 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,1,0,0,0,0|3,0,0]=4 2340 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,1,0,0,0,0|3,0,0]=4 2341 B13R1.528 COC(C)SCc1ccccc1Br 62a_100000184730_100009879195 [0,1,0,0,0,0|3,0,0]=4 2342 B13R1.528 COC(C)SCc1ccccc1Br 62a_100009879195_100000184730 [0,1,0,0,0,0|3,0,0]=4 2343 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,1,0,0,0,0|3,0,0]=4 2344 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,1,0,0,0,0|3,0,0]=4 2345 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100000187162_100009879195 [0,1,0,0,0,0|3,0,0]=4 2346 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100009879195_100000187162 [0,1,0,0,0,0|3,0,0]=4 2347 B13R1.528 COC(C)SCc1ccccc1F 62a_100000211605_100009879195 [0,1,0,0,0,0|3,0,0]=4 2348 B13R1.528 COC(C)SCc1ccccc1F 62a_100009879195_100000211605 [0,1,0,0,0,0|3,0,0]=4 2349 B13R1.528 COC(C)SCc1ccccc1I 62a_100009879195_100011216222 [0,1,0,0,0,0|3,0,0]=4 2350 B13R1.528 COC(C)SCc1ccccc1I 62a_100011216222_100009879195 [0,1,0,0,0,0|3,0,0]=4 2351 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,1,0,0,0,0|1,0,2]=4 2352 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,1,0,0,0,0|1,0,2]=4 2353 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,1,0,0,0,0|1,0,2]=4 2354 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,1,0,0,0,0|1,0,2]=4 2355 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,1,0,0,0,0|1,0,2]=4 2356 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,1,0,0,0,0|1,0,2]=4 2357 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,1,0,0,0,0|1,0,2]=4 2358 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,1,0,0,0,0|1,0,2]=4 2359 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,1,0,0,0,0|1,0,2]=4 2360 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,1,0,0,0,0|1,0,2]=4 2361 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,1,0,0,0,0|1,0,2]=4 2362 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,1,0,0,0,0|1,0,2]=4 2363 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,1,0,0,0,0|1,0,2]=4 2364 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,1,0,0,0,0|1,0,2]=4 2365 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,1,0,0,0,0|1,0,2]=4 2366 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,1,0,0,0,0|1,0,2]=4 2367 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,1,0,0,0,0|1,0,2]=4 2368 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,1,0,0,0,0|1,0,2]=4 2369 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,1,0,0,0,0|1,0,2]=4 2370 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,1,0,0,0,0|1,0,2]=4 2371 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,1,0,0,0,0|1,0,2]=4 2372 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,1,0,0,0,0|1,0,2]=4 2373 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,1,0,0,0,0|1,0,2]=4 2374 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,1,0,0,0,0|1,0,2]=4 2375 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,1,0,0,0,0|1,0,2]=4 2376 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,1,0,0,0,0|2,0,1]=4 2377 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,1,0,0,0,0|2,0,1]=4 2378 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,1,0,0,0,0|2,0,1]=4 2379 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,1,0,0,0,0|2,0,1]=4 2380 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,1,0,0,0,0|2,0,1]=4 2381 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,1,0,0,0,0|2,0,1]=4 2382 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,1,0,0,0,0|2,0,1]=4 2383 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,1,0,0,0,0|2,0,1]=4 2384 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,1,0,0,0,0|1,0,2]=4 2385 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,1,0,0,0,0|1,0,2]=4 2386 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,1,0,0,0,0|1,0,2]=4 2387 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,1,0,0,0,0|1,0,2]=4 2388 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,1,0,0,0,0|1,0,2]=4 2389 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,1,0,0,0,0|1,0,2]=4 2390 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,1,0,0,0,0|1,0,2]=4 2391 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,1,0,0,0,0|1,0,2]=4 2392 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,1,0,0,0,0|1,0,2]=4 2393 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,1,0,0,0,0|1,0,2]=4 2394 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,1,0,0,0,0|1,0,2]=4 2395 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,1,0,0,0,0|1,0,2]=4 2396 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,1,0,0,0,0|1,0,2]=4 2397 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,1,0,0,0,0|1,0,2]=4 2398 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,1,0,0,0,0|1,0,2]=4 2399 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,1,0,0,0,0|1,0,2]=4 2400 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,1,0,0,0,0|1,0,2]=4 2401 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,1,0,0,0,0|1,0,2]=4 2402 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,1,0,0,0,0|1,0,2]=4 2403 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,1,0,0,0,0|1,0,2]=4 2404 B13R1.528 Cc1ccccc1CNC(C)C#N 2230a_100000737613_100000211839 [0,1,0,0,0,0|2,0,1]=4 2405 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,1,0,0,0,0|1,0,2]=4 2406 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,1,0,0,0,0|2,0,1]=4 2407 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,1,0,0,0,0|2,0,1]=4 2408 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,1,0,0,0,0|1,0,2]=4 2409 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,1,0,0,0,0|1,0,2]=4 2410 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,1,0,0,0,0|1,0,2]=4 2411 B13R1.528 Cc1ccccc1COC(C)C#N 34a_100011218135_100000211839 [0,1,0,0,0,0|2,0,1]=4 2412 B13R1.528 Cc1ccccc1COC(C)C#N 7a_100000698903_100000703298 [0,1,0,0,0,0|2,0,1]=4 2413 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,1,0,0,0,0|2,0,1]=4 2414 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,1,0,0,0,0|2,0,1]=4 2415 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,1,0,0,0,0|2,0,1]=4 2416 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,1,0,0,0,0|1,0,2]=4 2417 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,1,0,0,0,0|1,0,2]=4 2418 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000211839_100000703298 [0,1,0,0,0,0|2,0,1]=4 2419 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000703298_100000211839 [0,1,0,0,0,0|2,0,1]=4 2420 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,1,0,0,0,0|1,0,2]=4 2421 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,1,0,0,0,0|1,0,2]=4 2422 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,1,0,0,0,0|1,0,2]=4 2423 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,1,0,0,0,0|1,0,2]=4 2424 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [0,1,0,0,0,0|3,0,0]=4 2425 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [0,1,0,0,0,0|3,0,0]=4 2426 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,1,0,0,0,0|3,0,0]=4 2427 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,1,0,0,0,0|3,0,0]=4 2428 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,1,0,0,0,0|1,0,2]=4 2429 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,1,0,0,0,0|1,0,2]=4 2430 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,1,0,0,0,0|1,0,2]=4 2431 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,1,0,0,0,0|1,0,2]=4 2432 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,1,0,0|2,0,1]=4 2433 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,1,0,0|2,0,1]=4 2434 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,1,0,0|2,0,1]=4 2435 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,1,0,0|2,0,1]=4 2436 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,1,0,0|2,0,1]=4 2437 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,1,0,0|2,0,1]=4 2438 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,0,1,0,0|2,0,1]=4 2439 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,0,1,0,0|2,0,1]=4 2440 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,0,1,0,0|2,0,1]=4 2441 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,1,0,0|2,0,1]=4 2442 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,1,0,0|2,0,1]=4 2443 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,0,0,1,0,0|2,0,1]=4 2444 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,0,0,1,0,0|2,0,1]=4 2445 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,0,0,1,0,0|2,0,1]=4 2446 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,0,0,1,0,0|2,0,1]=4 2447 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,0,0,1,0,0|2,0,1]=4 2448 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,0,0,1,0,0|2,0,1]=4 2449 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,0,0,1,0,0|2,0,1]=4 2450 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,0,0,1,0,0|2,0,1]=4 2451 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,0,0,1,0,0|2,0,1]=4 2452 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,0,0,1,0,0|2,0,1]=4 2453 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,0,0,1,0,0|2,0,1]=4 2454 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,0,0,1,0,0|2,0,1]=4 2455 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,1,0,0|2,0,1]=4 2456 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,1,0,0|2,0,1]=4 2457 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,1,0,0|2,0,1]=4 2458 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,0,0,1,0,0|2,0,1]=4 2459 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,0,0,1,0,0|2,0,1]=4 2460 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,0,0,1,0,0|2,0,0]=3 2461 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,0,0,1,0,0|2,0,0]=3 2462 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,0,0,1,0,0|2,0,0]=3 2463 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,0,0,1,0,0|2,0,1]=4 2464 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,0,0,1,0,0|2,0,1]=4 2465 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,0,0,1,0,0|2,0,1]=4 2466 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,0,0,1,0,0|2,0,0]=3 2467 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,0,0,1,0,0|2,0,0]=3 2468 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,0,0,1,0,0|2,0,0]=3 2469 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,0,0,1,0,0|3,0,0]=4 2470 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,0,0,1,0,0|3,0,0]=4 2471 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,0,0,1,0,0|2,0,0]=3 2472 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,0,0,1,0,0|2,0,0]=3 2473 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,0,1,0,0|3,0,0]=4 2474 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,0,0,1,0,0|2,0,1]=4 2475 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,0,0,1,0,0|2,0,1]=4 2476 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,0,0,1,0,0|2,0,0]=3 2477 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,0,0,1,0,0|2,0,0]=3 2478 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,0,0,1,0,0|3,0,0]=4 2479 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,0,0,1,0,0|2,0,0]=3 2480 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,0,0,1,0,0|2,0,0]=3 2481 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,0,1,0,0|3,0,0]=4 2482 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,0,0,1,0,0|2,0,1]=4 2483 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,0,1,0,0|2,0,1]=4 2484 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,0,1,0,0|2,0,1]=4 2485 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,0,1,0,0|2,0,1]=4 2486 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,0,1,0,0|2,0,1]=4 2487 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,0,1,0,0|1,0,2]=4 2488 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,0,1,0,0|1,0,2]=4 2489 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,0,1,0,0|1,0,2]=4 2490 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,0,1,0,0|1,0,2]=4 2491 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,0,1,0,0|1,1,1]=4 2492 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,0,1,0,0|1,1,1]=4 2493 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,0,1,0,0|2,0,1]=4 2494 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,0,1,0,0|2,0,1]=4 2495 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,0,0,1,0,0|1,0,2]=4 2496 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,0,0,1,0,0|1,0,2]=4 2497 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,0,0,1,0,0|1,1,1]=4 2498 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,0,1,0,0|2,0,1]=4 2499 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,0,0,1,0,0|1,0,2]=4 2500 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,0,0,1,0,0|2,0,1]=4 2501 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,0,0,1,0,0|3,0,0]=4 2502 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,0,0,1,0,0|1,0,2]=4 2503 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,0,0,1,0,0|2,0,1]=4 2504 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,0,0,1,0,0|2,0,1]=4 2505 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,0,0,1,0,0|3,0,0]=4 2506 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,0,0,1,0,0|3,0,0]=4 2507 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,0,0,1,0,0|1,0,2]=4 2508 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,0,0,1,0,0|1,0,2]=4 2509 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,0,0,1,0,0|2,0,1]=4 2510 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,0,0,1,0,0|2,0,1]=4 2511 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,0,0,1,0,0|3,0,0]=4 2512 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,0,0,1,0,0|3,0,0]=4 2513 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,0,0,1,0,0|1,0,2]=4 2514 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,0,0,1,0,0|1,0,2]=4 2515 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,0,0,1,0,0|2,0,0]=3 2516 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,0,0,1,0,0|2,0,0]=3 2517 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,0,0,1,0,0|2,0,0]=3 2518 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,0,0,1,0,0|2,0,0]=3 2519 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,0,0,1,0,0|2,0,1]=4 2520 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,0,0,1,0,0|2,0,1]=4 2521 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,0,0,1,0,0|2,0,1]=4 2522 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,0,0,1,0,0|1,0,2]=4 2523 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,0,0,1,0,0|1,0,2]=4 2524 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,0,0,1,0,0|1,0,2]=4 2525 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,0,0,1,0,0|1,0,2]=4 2526 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,0,0,1,0,0|2,0,1]=4 2527 B11R1.25 C=CC(C)OCc1ccsc1 34a_100000695699_100011261437 [0,0,0,0,1,0|3,0,0]=4 2528 B11R1.25 C=CC(C)SCc1ccsc1 62a_100011215867_100011233845 [0,0,0,0,1,0|3,0,0]=4 2529 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,0,0,0,1,0|3,0,0]=4 2530 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,0,0,0,1,0|3,0,0]=4 2531 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,0,0,0,1,0|3,0,0]=4 2532 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,0,0,0,1,0|3,0,0]=4 2533 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,0,0,0,1,0|2,0,1]=4 2534 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,1,0|2,0,1]=4 2535 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,1,0|2,0,1]=4 2536 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,1,0|2,0,1]=4 2537 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,1,0|2,0,0]=3 2538 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,0,0,0,1,0|3,0,0]=4 2539 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,0,0,0,1,0|3,0,0]=4 2540 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,0,0,0,1,0|3,0,0]=4 2541 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,1,0|2,0,1]=4 2542 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,1,0|2,0,1]=4 2543 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,1,0|2,0,1]=4 2544 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,1,0|1,0,2]=4 2545 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,1,0|1,0,2]=4 2546 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,1,0|1,0,2]=4 2547 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,1,0|1,0,2]=4 2548 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,1,0|2,0,0]=3 2549 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,1,0|2,0,0]=3 2550 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,1,0|2,0,0]=3 2551 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,1,0|2,0,0]=3 2552 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,1,0|3,0,0]=4 2553 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,1,0|3,0,0]=4 2554 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,1,0|2,0,1]=4 2555 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,1,0|2,0,1]=4 2556 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,1,0|2,0,1]=4 2557 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,1,0|2,0,1]=4 2558 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,1,0|2,0,1]=4 2559 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,1,0|2,0,1]=4 2560 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,1,0|2,0,1]=4 2561 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,1,0|2,0,1]=4 2562 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,1,0|2,0,1]=4 2563 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,1,0|2,0,1]=4 2564 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,1,0|2,0,1]=4 2565 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,1,0|2,0,1]=4 2566 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,1,0|2,0,1]=4 2567 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,1,0|2,0,1]=4 2568 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,1,0|3,0,0]=4 2569 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,1,0|2,0,0]=3 2570 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,1,0|2,0,0]=3 2571 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,1,0|3,0,0]=4 2572 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,1,0|3,0,0]=4 2573 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,1,0|3,0,0]=4 2574 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,1,0|3,0,0]=4 2575 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,1,0|2,0,0]=3 2576 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,1,0|2,0,0]=3 2577 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,1,0|2,0,0]=3 2578 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,1,0|3,0,0]=4 2579 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,1,0|3,0,0]=4 2580 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,1,0|2,0,0]=3 2581 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,1,0|2,0,0]=3 2582 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,1,0|1,0,2]=4 2583 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,1,0|1,0,2]=4 2584 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,0,0,0,0,1|1,0,1]=3 2585 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,0,0,0,0,1|1,0,1]=3 2586 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,0,0,0,0,1|1,0,1]=3 2587 B13R1.718 C#CC(C)NCCc1ccccn1 2230a_100000707721_100015183660 [0,0,0,0,0,1|2,0,1]=4 2588 B13R1.718 C#CC(C)NCCc1cccnc1 2230a_100000707721_200011713674 [0,0,0,0,0,1|2,0,1]=4 2589 B13R1.718 C#CC(C)NCCc1ccncc1 2230a_100000707721_100000723409 [0,0,0,0,0,1|2,0,1]=4 2590 B13R1.718 C#CC(C)NCSc1ccccc1 2230a_100000707721_100011218342 [0,0,0,0,0,1|2,0,1]=4 2591 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,0,0,0,0,1|1,0,1]=3 2592 B13R1.718 C#CC(C)OCCc1ccccn1 34a_100000210271_200000035995 [0,0,0,0,0,1|2,0,1]=4 2593 B13R1.718 C#CC(C)OCCc1cccnc1 34a_100011217484_200000035995 [0,0,0,0,0,1|2,0,1]=4 2594 B13R1.718 C#CC(C)OCCc1ccncc1 34a_100011216225_200000035995 [0,0,0,0,0,1|2,0,1]=4 2595 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,0,0,0,0,1|1,0,1]=3 2596 B13R1.718 C#CC(C)SCCc1ccccn1 62a_200000035995_100015183660 [0,0,0,0,0,1|2,0,1]=4 2597 B13R1.718 C#CC(C)SCCc1cccnc1 62a_200000035995_200011713674 [0,0,0,0,0,1|2,0,1]=4 2598 B13R1.718 C#CC(C)SCCc1ccncc1 62a_200000035995_100000723409 [0,0,0,0,0,1|2,0,1]=4 2599 B13R1.718 C#CC(C)SCSc1ccccc1 62a_200000035995_100011218342 [0,0,0,0,0,1|2,0,1]=4 2600 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,0,0,0,0,1|1,0,1]=3 2601 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,0,0,0,0,1|1,0,1]=3 2602 B13R1.718 C#C[C@@H](C)OCCc1ccccn1 7a_100009815206_100015183660 [0,0,0,0,0,1|2,0,1]=4 2603 B13R1.718 C#C[C@@H](C)OCCc1cccnc1 7a_100009815206_200011713674 [0,0,0,0,0,1|2,0,1]=4 2604 B13R1.718 C#C[C@@H](C)OCCc1ccncc1 7a_100009815206_100000723409 [0,0,0,0,0,1|2,0,1]=4 2605 B13R1.718 C=CC(=NNCc1ccccc1)C 4a_100000007032_200015361842 [0,0,0,0,0,1|2,0,1]=4 2606 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,0,0,0,0,1|2,0,1]=4 2607 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,0,0,0,0,1|2,0,1]=4 2608 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,0,0,0,0,1|2,0,1]=4 2609 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,0,0,0,0,1|2,0,1]=4 2610 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,0,0,0,0,1|2,0,1]=4 2611 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,0,0,0,0,1|2,0,1]=4 2612 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,0,0,0,0,1|1,0,0]=2 2613 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,0,0,0,0,1|1,0,0]=2 2614 B13R1.718 C=CC(C)COCc1ccccn1 34a_100011215527_100000721315 [0,0,0,0,0,1|2,0,0]=3 2615 B13R1.718 C=CC(C)COCc1ccccn1 7a_100011215527_100000721315 [0,0,0,0,0,1|2,0,0]=3 2616 B13R1.718 C=CC(C)COCc1cccnc1 34a_100011215527_100000733263 [0,0,0,0,0,1|2,0,0]=3 2617 B13R1.718 C=CC(C)COCc1cccnc1 7a_100011215527_100000741622 [0,0,0,0,0,1|2,0,0]=3 2618 B13R1.718 C=CC(C)COCc1cccnn1 34a_100011215527_100016990269 [0,0,0,0,0,1|3,0,0]=4 2619 B13R1.718 C=CC(C)COCc1cccnn1 7a_100011215527_100016990269 [0,0,0,0,0,1|3,0,0]=4 2620 B13R1.718 C=CC(C)COCc1ccncc1 7a_100011215527_100015193705 [0,0,0,0,0,1|2,0,0]=3 2621 B13R1.718 C=CC(C)COCc1cnccn1 34a_100011215527_100016995436 [0,0,0,0,0,1|3,0,0]=4 2622 B13R1.718 C=CC(C)COCc1cnccn1 7a_100011215527_100016995436 [0,0,0,0,0,1|3,0,0]=4 2623 B13R1.718 C=CC(C)COCc1cncnc1 34a_100011215527_100015196519 [0,0,0,0,0,1|3,0,0]=4 2624 B13R1.718 C=CC(C)COCc1cncnc1 7a_100011215527_100015196519 [0,0,0,0,0,1|3,0,0]=4 2625 B13R1.718 C=CC(C)COCc1ncccn1 34a_100011215527_100000703007 [0,0,0,0,0,1|3,0,0]=4 2626 B13R1.718 C=CC(C)COCc1ncccn1 7a_100011215527_100000703007 [0,0,0,0,0,1|3,0,0]=4 2627 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,0,0,0,0,1|1,0,0]=2 2628 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,0,0,0,0,1|1,0,0]=2 2629 B13R1.718 C=CC(C)SCCc1ccccn1 62a_100011215867_100015183660 [0,0,0,0,0,1|2,0,0]=3 2630 B13R1.718 C=CC(C)SCCc1cccnc1 62a_100011215867_200011713674 [0,0,0,0,0,1|2,0,0]=3 2631 B13R1.718 C=CC(C)SCCc1ccncc1 62a_100011215867_100000723409 [0,0,0,0,0,1|2,0,0]=3 2632 B13R1.718 C=CC(C)SCSc1ccccc1 62a_100011215867_100011218342 [0,0,0,0,0,1|2,0,0]=3 2633 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,0,0,0,0,1|2,0,0]=3 2634 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,0,0,0,0,1|2,0,0]=3 2635 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,0,0,0,0,1|2,0,0]=3 2636 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,0,0,0,0,1|2,0,0]=3 2637 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,0,0,0,0,1|2,0,0]=3 2638 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,0,0,0,0,1|2,0,0]=3 2639 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000721315_100000730141 [0,0,0,0,0,1|3,0,0]=4 2640 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000730141_100000721315 [0,0,0,0,0,1|3,0,0]=4 2641 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000730141_100000741622 [0,0,0,0,0,1|3,0,0]=4 2642 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000741622_100000730141 [0,0,0,0,0,1|3,0,0]=4 2643 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100000730141_100015193705 [0,0,0,0,0,1|3,0,0]=4 2644 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100015193705_100000730141 [0,0,0,0,0,1|3,0,0]=4 2645 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,0,0,0,0,1|2,0,0]=3 2646 B13R1.718 C=C[C@H](N)COCc1ccccn1 34a_100016989147_100000721315 [0,0,0,0,0,1|3,0,0]=4 2647 B13R1.718 C=C[C@H](N)COCc1cccnc1 34a_100016989147_100000733263 [0,0,0,0,0,1|3,0,0]=4 2648 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,0,0,0,0,1|1,0,1]=3 2649 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,0,0,0,0,1|1,0,1]=3 2650 B13R1.718 CC(C#N)NCCc1ccccn1 2230a_100000737613_100015183660 [0,0,0,0,0,1|2,0,1]=4 2651 B13R1.718 CC(C#N)NCCc1cccnc1 2230a_100000736294_100000184139 [0,0,0,0,0,1|2,0,1]=4 2652 B13R1.718 CC(C#N)NCCc1cccnc1 2230a_100000737613_200011713674 [0,0,0,0,0,1|2,0,1]=4 2653 B13R1.718 CC(C#N)NCCc1ccncc1 2230a_100000737613_100000723409 [0,0,0,0,0,1|2,0,1]=4 2654 B13R1.718 CC(C#N)NCSc1ccccc1 2230a_100000737613_100011218342 [0,0,0,0,0,1|2,0,1]=4 2655 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,0,0,0,0,1|1,0,1]=3 2656 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,0,0,0,0,1|1,0,1]=3 2657 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,0,0,0,0,1|1,0,1]=3 2658 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,0,0,0,0,1|1,0,1]=3 2659 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100000703298_100015183660 [0,0,0,0,0,1|2,0,1]=4 2660 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100015183660_100000703298 [0,0,0,0,0,1|2,0,1]=4 2661 B13R1.718 CC(C#N)SCCc1cccnc1 62a_100000703298_200011713674 [0,0,0,0,0,1|2,0,1]=4 2662 B13R1.718 CC(C#N)SCCc1cccnc1 62a_200011713674_100000703298 [0,0,0,0,0,1|2,0,1]=4 2663 B13R1.718 CC(C#N)SCCc1ccncc1 62a_100000703298_100000723409 [0,0,0,0,0,1|2,0,1]=4 2664 B13R1.718 CC(C#N)SCCc1ccncc1 62a_100000723409_100000703298 [0,0,0,0,0,1|2,0,1]=4 2665 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100000703298_100011218342 [0,0,0,0,0,1|2,0,1]=4 2666 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100011218342_100000703298 [0,0,0,0,0,1|2,0,1]=4 2667 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,0,0,0,0,1|2,0,0]=3 2668 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,0,0,0,0,1|2,0,0]=3 2669 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,0,0,0,0,1|1,0,1]=3 2670 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,0,0,0,0,1|1,0,1]=3 2671 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [0,0,0,0,0,1|2,0,1]=4 2672 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [0,0,0,0,0,1|2,0,1]=4 2673 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [0,0,0,0,0,1|2,0,1]=4 2674 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,1|1,0,1]=3 2675 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,0,0,0,0,1|2,0,1]=4 2676 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,0,0,0,0,1|2,0,1]=4 2677 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,1|1,0,1]=3 2678 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,0,0,0,0,1|0,0,2]=3 2679 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,1|0,0,2]=3 2680 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,0,0,0,0,1|1,0,2]=4 2681 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,0,0,0,0,1|1,0,2]=4 2682 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,0,0,0,0,1|1,0,2]=4 2683 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,0,0,0,0,1|1,0,2]=4 2684 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,0,0,0,0,1|1,0,2]=4 2685 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,0,0,0,0,1|0,0,2]=3 2686 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,0,0,0,0,1|0,0,2]=3 2687 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,0,0,0,0,1|1,0,2]=4 2688 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,0,0,0,0,1|0,0,2]=3 2689 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,0,0,0,0,1|0,0,2]=3 2690 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,0,0,0,0,1|1,0,2]=4 2691 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,0,0,0,0,1|1,0,2]=4 2692 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [0,0,0,0,0,1|1,0,2]=4 2693 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,0,0,0,0,1|0,0,2]=3 2694 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,0,0,0,0,1|1,0,2]=4 2695 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,0,0,0,0,1|1,0,2]=4 2696 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [0,0,0,0,0,1|1,0,2]=4 2697 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,0,0,0,0,1|1,0,2]=4 2698 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,0,0,0,0,1|2,0,0]=3 2699 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,0,0,0,0,1|2,0,0]=3 2700 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,0,0,0,0,1|1,0,1]=3 2701 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,0,0,0,0,1|1,0,1]=3 2702 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,0,0,0,0,1|1,0,1]=3 2703 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,0,0,0,0,1|1,0,1]=3 2704 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,0,0,0,0,1|1,0,1]=3 2705 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,0,0,0,0,1|1,0,1]=3 2706 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,0,0,0,0,1|2,0,1]=4 2707 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,0,0,0,0,1|2,0,1]=4 2708 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,0,0,0,0,1|2,0,1]=4 2709 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,0,0,0,0,1|2,0,1]=4 2710 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,0,0,0,0,1|2,0,1]=4 2711 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,0,0,0,0,1|2,0,1]=4 2712 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,0,0,0,0,1|2,0,1]=4 2713 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,0,0,0,0,1|2,0,1]=4 2714 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,0,0,0,0,1|2,0,1]=4 2715 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,0,0,0,0,1|2,0,1]=4 2716 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,0,0,0,0,1|1,0,1]=3 2717 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,0,0,0,0,1|1,0,1]=3 2718 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,0,0,0,0,1|1,0,1]=3 2719 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,0,0,0,0,1|1,0,1]=3 2720 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,0,0,0,0,1|2,0,1]=4 2721 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,0,0,0,0,1|2,0,1]=4 2722 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,0,0,0,0,1|2,0,1]=4 2723 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,0,0,0,0,1|2,0,1]=4 2724 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,0,0,0,0,1|2,0,1]=4 2725 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,0,0,0,0,1|2,0,1]=4 2726 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,0,0,0,0,1|1,0,1]=3 2727 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,0,0,0,0,1|1,0,1]=3 2728 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,0,0,0,0,1|1,0,1]=3 2729 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,0,0,0,0,1|2,0,1]=4 2730 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,0,0,0,0,1|2,0,1]=4 2731 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,0,0,0,0,1|2,0,1]=4 2732 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,0,0,0,0,1|2,0,1]=4 2733 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,0,0,0,0,1|2,0,1]=4 2734 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,0,0,0,0,1|1,0,1]=3 2735 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,0,0,0,0,1|1,0,1]=3 2736 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,0,0,0,0,1|1,0,1]=3 2737 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,0,0,0,0,1|2,0,1]=4 2738 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,0,0,0,0,1|2,0,1]=4 2739 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,0,0,0,0,1|2,0,1]=4 2740 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,0,0,0,0,1|2,0,1]=4 2741 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,0,0,0,0,1|2,0,1]=4 2742 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,0,0,0,0,1|2,0,1]=4 2743 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,0,0,0,0,1|1,0,1]=3 2744 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,0,0,0,0,1|1,0,1]=3 2745 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,0,0,0,0,1|2,0,1]=4 2746 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,0,0,0,0,1|2,0,1]=4 2747 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,0,0,0,0,1|2,0,1]=4 2748 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,0,0,0,0,1|2,0,1]=4 2749 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,0,0,0,0,1|2,0,1]=4 2750 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,0,0,0,0,1|2,0,1]=4 2751 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,0,0,0,0,1|2,0,1]=4 2752 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,0,0,0,0,1|2,0,1]=4 2753 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,0,0,0,0,1|2,0,1]=4 2754 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,0,0,0,0,1|2,0,1]=4 2755 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,0,0,0,0,1|2,0,1]=4 2756 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,0,0,0,0,1|2,0,1]=4 2757 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,0,0,0,0,1|2,0,1]=4 2758 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,0,0,0,0,1|2,0,1]=4 2759 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,0,0,0,0,1|2,0,1]=4 2760 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,0,0,0,0,1|2,0,1]=4 2761 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,0,0,0,0,1|2,0,1]=4 2762 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,0,0,0,0,1|2,0,1]=4 2763 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,0,0,0,0,1|2,0,1]=4 2764 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,0,0,0,0,1|2,0,1]=4 2765 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,0,0,0,0,1|2,0,1]=4 2766 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,0,0,0,0,1|2,0,1]=4 2767 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,0,0,0,0,1|2,0,1]=4 2768 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,0,0,0,0,1|2,0,1]=4 2769 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,0,0,0,0,1|2,0,1]=4 2770 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,0,0,0,0,1|2,0,1]=4 2771 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,0,0,0,0,1|2,0,1]=4 2772 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,0,0,0,0,1|2,0,1]=4 2773 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,0,0,0,0,1|2,0,1]=4 2774 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,0,0,0,0,1|2,0,1]=4 2775 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,0,0,0,0,1|2,0,1]=4 2776 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,0,0,0,0,1|2,0,1]=4 2777 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,0,0,0,0,1|2,0,1]=4 2778 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,0,0,0,0,1|2,0,1]=4 2779 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,0,0,0,0,1|1,0,1]=3 2780 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,0,0,0,0,1|1,0,1]=3 2781 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,0,0,0,0,1|1,0,1]=3 2782 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,0,0,0,0,1|1,0,1]=3 2783 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,0,0,0,0,1|1,0,1]=3 2784 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,0,0,0,0,1|2,0,1]=4 2785 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,0,0,0,0,1|2,0,1]=4 2786 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,0,0,0,0,1|2,0,1]=4 2787 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,0,0,0,0,1|1,0,1]=3 2788 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,0,0,0,0,1|1,0,1]=3 2789 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,0,0,0,0,1|2,0,1]=4 2790 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,0,0,0,0,1|2,0,1]=4 2791 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,0,0,0,0,1|2,0,1]=4 2792 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,0,0,0,0,1|2,0,1]=4 2793 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,0,0,0,0,1|2,0,1]=4 2794 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,0,0,0,0,1|2,0,1]=4 2795 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,0,0,0,0,1|2,0,1]=4 2796 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,0,0,0,0,1|2,0,1]=4 2797 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,0,0,0,0,1|2,0,0]=3 2798 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,0,0,0,0,1|2,0,0]=3 2799 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,0,0,0,0,1|2,0,0]=3 2800 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,0,0,0,0,1|2,0,0]=3 2801 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,0,0,0,0,1|2,0,0]=3 2802 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,0,0,0,1|2,0,0]=3 2803 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,0,0,0,0,1|2,0,0]=3 2804 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,0,0,0,0,1|2,0,0]=3 2805 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,0,0,0,0,1|2,0,0]=3 2806 B13R1.718 COC(C)COCc1ccccn1 34a_100000690652_100000721315 [0,0,0,0,0,1|3,0,0]=4 2807 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,0,0,0,0,1|3,0,0]=4 2808 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,0,0,0,0,1|2,0,0]=3 2809 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,0,0,0,0,1|2,0,0]=3 2810 B13R1.718 COC(C)SCCc1ccccn1 62a_100009879195_100015183660 [0,0,0,0,0,1|3,0,0]=4 2811 B13R1.718 COC(C)SCCc1ccccn1 62a_100015183660_100009879195 [0,0,0,0,0,1|3,0,0]=4 2812 B13R1.718 COC(C)SCCc1cccnc1 62a_100009879195_200011713674 [0,0,0,0,0,1|3,0,0]=4 2813 B13R1.718 COC(C)SCCc1cccnc1 62a_200011713674_100009879195 [0,0,0,0,0,1|3,0,0]=4 2814 B13R1.718 COC(C)SCCc1ccncc1 62a_100000723409_100009879195 [0,0,0,0,0,1|3,0,0]=4 2815 B13R1.718 COC(C)SCCc1ccncc1 62a_100009879195_100000723409 [0,0,0,0,0,1|3,0,0]=4 2816 B13R1.718 COC(C)SCSc1ccccc1 62a_100009879195_100011218342 [0,0,0,0,0,1|3,0,0]=4 2817 B13R1.718 COC(C)SCSc1ccccc1 62a_100011218342_100009879195 [0,0,0,0,0,1|3,0,0]=4 2818 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,0,0,0,0,1|2,0,0]=3 2819 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,0,0,0,0,1|2,0,0]=3 2820 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,0,0,0,0,1|2,0,0]=3 2821 B13R1.718 CO[C@H](C)CNCc1ccccn1 207a_100020591295_100000209966 [0,0,0,0,0,1|3,0,0]=4 2822 B13R1.718 CO[C@H](C)CNCc1ccccn1 2230a_100020591295_100000721315 [0,0,0,0,0,1|3,0,0]=4 2823 B13R1.718 CO[C@H](C)CNCc1ccccn1 270004a_100020591295_100000209966 [0,0,0,0,0,1|3,0,0]=4 2824 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,0,0,0,0,1|3,0,0]=4 2825 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,0,0,0,0,1|3,0,0]=4 2826 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,0,0,0,0,1|3,0,0]=4 2827 B13R1.718 CO[C@H](C)CNCc1ccncc1 207a_100020591295_100000186114 [0,0,0,0,0,1|3,0,0]=4 2828 B13R1.718 CO[C@H](C)CNCc1ccncc1 2230a_100020591295_100015193705 [0,0,0,0,0,1|3,0,0]=4 2829 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,0,0,0,0,1|2,0,0]=3 2830 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,0,0,0,0,1|2,0,0]=3 2831 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,0,0,0,0,1|0,0,2]=3 2832 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,0,0,0,0,1|0,0,2]=3 2833 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,0,0,0,0,1|0,0,2]=3 2834 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,0,0,0,0,1|0,0,2]=3 2835 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,0,0,0,0,1|0,0,2]=3 2836 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,0,0,0,0,1|0,0,2]=3 2837 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,0,0,0,0,1|1,0,2]=4 2838 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,0,0,0,0,1|1,0,2]=4 2839 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,0,0,0,0,1|1,0,2]=4 2840 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,0,0,0,0,1|1,0,2]=4 2841 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,0,0,0,0,1|1,0,2]=4 2842 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,0,0,0,0,1|1,0,2]=4 2843 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,0,0,0,0,1|0,0,2]=3 2844 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,0,0,0,0,1|1,0,2]=4 2845 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,0,0,0,0,1|1,0,2]=4 2846 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [0,0,0,0,0,1|1,0,2]=4 2847 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,0,0,0,0,1|1,0,2]=4 2848 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,0,0,0,0,1|0,0,2]=3 2849 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,0,0,0,0,1|0,0,2]=3 2850 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,0,0,0,0,1|1,0,2]=4 2851 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,0,0,0,0,1|1,0,2]=4 2852 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,0,0,0,0,1|1,0,2]=4 2853 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,0,0,0,0,1|1,0,2]=4 2854 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [0,0,0,0,0,1|1,0,2]=4 2855 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [0,0,0,0,0,1|1,0,2]=4 2856 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,0,0,0,0,1|1,0,2]=4 2857 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,0,0,0,0,1|1,0,2]=4 2858 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,0,0,0,0,1|2,0,1]=4 2859 B13R1.718 N#CC(F)SCCc1ccccc1 62a_100000765856_200000117898 [0,0,0,0,0,1|2,0,1]=4 2860 B13R1.718 N#CC(F)SCCc1ccccc1 62a_200000117898_100011218657 [0,0,0,0,0,1|2,0,1]=4 2861 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,0,0,0,0,1|2,0,1]=4 2862 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,0,0,0,0,1|1,0,2]=4 2863 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,0,0,0,0,1|1,0,2]=4 2864 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,0,0,0,0,1|1,0,2]=4 2865 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,0,0,0,0,1|1,0,2]=4 2866 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,0,0,0,0,1|1,0,2]=4 2867 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,0,0,0,0,1|1,0,2]=4 2868 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,0,0,0,0,1|1,0,2]=4 2869 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,0,0,0,0,1|1,0,2]=4 2870 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,0,0,0,0,1|1,0,2]=4 2871 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,0,0,0,0,1|1,0,2]=4 2872 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,0,0,0,0,1|1,0,2]=4 2873 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,0,0,0,0,1|1,0,2]=4 2874 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,0,0,0,0,1|1,0,2]=4 2875 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,0,0,0,0,1|1,0,2]=4 2876 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,0,0,0,0,1|1,0,2]=4 2877 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,0,0,0,0,1|1,0,2]=4 2878 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,0,0,0,0,1|1,0,2]=4 2879 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,0,0,0,0,1|2,0,1]=4 2880 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,0,0,0,0,1|2,0,1]=4 2881 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,0,0,0,0,1|2,0,1]=4 2882 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,0,0,0,0,1|2,0,1]=4 2883 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,0,0,0,0,1|2,0,1]=4 2884 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,0,0,0,0,1|2,0,1]=4 2885 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [1,0,1,0,0,0|1,0,1]=4 2886 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [1,0,1,0,0,0|1,0,1]=4 2887 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [1,0,1,0,0,0|1,0,1]=4 2888 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [1,0,1,0,0,0|2,0,0]=4 2889 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|1,0,1]=4 2890 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|1,0,1]=4 2891 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|1,0,1]=4 2892 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|1,0,1]=4 2893 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|1,0,1]=4 2894 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|0,0,0]=2 2895 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|1,0,0]=3 2896 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|1,0,0]=3 2897 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [2,0,0,0,0,0|2,0,0]=4 2898 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|1,0,0]=3 2899 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [2,0,0,0,0,0|2,0,0]=4 2900 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [2,0,0,0,0,0|2,0,0]=4 2901 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [2,0,0,0,0,0|2,0,0]=4 2902 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [2,0,0,0,0,0|2,0,0]=4 2903 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [2,0,0,0,0,0|2,0,0]=4 2904 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|1,0,0]=3 2905 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|1,0,0]=3 2906 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|1,0,0]=3 2907 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [2,0,0,0,0,0|2,0,0]=4 2908 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [2,0,0,0,0,0|2,0,0]=4 2909 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [2,0,0,0,0,0|2,0,0]=4 2910 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|1,0,0]=3 2911 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|1,0,0]=3 2912 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [2,0,0,0,0,0|2,0,0]=4 2913 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [2,0,0,0,0,0|2,0,0]=4 2914 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [2,0,0,0,0,0|2,0,0]=4 2915 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [2,0,0,0,0,0|2,0,0]=4 2916 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [2,0,0,0,0,0|2,0,0]=4 2917 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [2,0,0,0,0,0|2,0,0]=4 2918 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,0]=3 2919 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,0]=3 2920 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,0]=3 2921 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,0]=3 2922 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,0]=3 2923 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 2924 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [2,0,0,0,0,0|2,0,0]=4 2925 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 2926 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [2,0,0,0,0,0|2,0,0]=4 2927 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [2,0,0,0,0,0|2,0,0]=4 2928 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [2,0,0,0,0,0|2,0,0]=4 2929 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [2,0,0,0,0,0|2,0,0]=4 2930 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [2,0,0,0,0,0|2,0,0]=4 2931 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|1,0,0]=3 2932 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|1,0,0]=3 2933 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|1,0,0]=3 2934 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [2,0,0,0,0,0|2,0,0]=4 2935 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [2,0,0,0,0,0|2,0,0]=4 2936 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|1,0,0]=3 2937 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|1,0,0]=3 2938 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [2,0,0,0,0,0|2,0,0]=4 2939 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [2,0,0,0,0,0|2,0,0]=4 2940 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [2,0,0,0,0,0|2,0,0]=4 2941 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [2,0,0,0,0,0|2,0,0]=4 2942 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [2,0,0,0,0,0|2,0,0]=4 2943 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [2,0,0,0,0,0|2,0,0]=4 2944 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 2945 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 2946 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 2947 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|1,0,0]=3 2948 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 2949 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 2950 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 2951 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|2,0,0]=4 2952 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 2953 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 2954 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 2955 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 2956 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|2,0,0]=4 2957 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2958 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,0]=3 2959 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2960 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 2961 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|2,0,0]=4 2962 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|2,0,0]=4 2963 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|2,0,0]=4 2964 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|2,0,0]=4 2965 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,0]=3 2966 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,0]=3 2967 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 2968 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 2969 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|2,0,0]=4 2970 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|2,0,0]=4 2971 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|2,0,0]=4 2972 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|2,0,0]=4 2973 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 2974 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|2,0,0]=4 2975 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|2,0,0]=4 2976 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|2,0,0]=4 2977 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|2,0,0]=4 2978 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|2,0,0]=4 2979 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [2,0,0,0,0,0|2,0,0]=4 2980 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 2981 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 2982 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [2,0,0,0,0,0|2,0,0]=4 2983 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [2,0,0,0,0,0|2,0,0]=4 2984 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [2,0,0,0,0,0|2,0,0]=4 2985 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 2986 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 2987 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [2,0,0,0,0,0|2,0,0]=4 2988 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [2,0,0,0,0,0|2,0,0]=4 2989 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 2990 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,0]=3 2991 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,0]=3 2992 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|2,0,0]=4 2993 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|2,0,0]=4 2994 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|2,0,0]=4 2995 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,0]=3 2996 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,0]=3 2997 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|2,0,0]=4 2998 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|2,0,0]=4 2999 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|2,0,0]=4 3000 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|2,0,0]=4 3001 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|2,0,0]=4 3002 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|2,0,0]=4 3003 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,1]=4 3004 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 3005 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 3006 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,0,1]=4 3007 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,0,1]=4 3008 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 3009 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 3010 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|2,0,0]=4 3011 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 3012 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 3013 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 3014 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|2,0,0]=4 3015 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|2,0,0]=4 3016 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,0]=3 3017 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,0]=3 3018 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 3019 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 3020 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|2,0,0]=4 3021 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|2,0,0]=4 3022 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|2,0,0]=4 3023 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|2,0,0]=4 3024 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|2,0,0]=4 3025 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|2,0,0]=4 3026 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 3028 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [1,1,0,0,0,0|2,0,0]=4 3029 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [1,1,0,0,0,0|2,0,0]=4 3032 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [1,1,0,0,0,0|2,0,0]=4 3066 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [1,1,0,0,0,0|2,0,0]=4 3067 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [1,1,0,0,0,0|2,0,0]=4 3068 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [1,1,0,0,0,0|2,0,0]=4 3069 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [1,1,0,0,0,0|2,0,0]=4 3070 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [1,1,0,0,0,0|2,0,0]=4 3071 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [1,1,0,0,0,0|2,0,0]=4 3072 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [1,1,0,0,0,0|2,0,0]=4 3073 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [1,1,0,0,0,0|2,0,0]=4 3074 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [1,1,0,0,0,0|2,0,0]=4 3075 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [1,1,0,0,0,0|2,0,0]=4 3076 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [1,1,0,0,0,0|2,0,0]=4 3077 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [1,1,0,0,0,0|2,0,0]=4 3078 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [1,1,0,0,0,0|2,0,0]=4 3079 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [1,1,0,0,0,0|2,0,0]=4 3080 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [1,1,0,0,0,0|2,0,0]=4 3081 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [1,1,0,0,0,0|2,0,0]=4 3082 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [1,1,0,0,0,0|2,0,0]=4 3083 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [1,1,0,0,0,0|2,0,0]=4 3085 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [1,1,0,0,0,0|2,0,0]=4 3086 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [1,1,0,0,0,0|2,0,0]=4 3087 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [1,1,0,0,0,0|2,0,0]=4 3090 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,1,0,0,0,0|1,0,1]=4 3102 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [1,1,0,0,0,0|2,0,0]=4 3114 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [1,1,0,0,0,0|2,0,0]=4 3115 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|1,0,0]=3 3142 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|1,0,0]=3 3143 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|1,0,0]=3 3144 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|1,0,0]=3 3145 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|1,0,0]=3 3146 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|1,0,0]=3 3147 B12R1.1 Cc1ccc(cn1)CNCC=O 34a_100000740942_200009817547 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_100016987292_200015260668 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_200015260668_100016987292 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [1,1,0,0,0,0|1,0,0]=3 3156 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [1,1,0,0,0,0|2,0,0]=4 3157 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [1,1,0,0,0,0|1,0,0]=3 3159 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [1,1,0,0,0,0|1,0,0]=3 3160 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [1,1,0,0,0,0|1,0,0]=3 3161 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [1,1,0,0,0,0|1,0,0]=3 3162 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [1,1,0,0,0,0|1,0,0]=3 3163 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [1,1,0,0,0,0|1,0,0]=3 3164 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [1,1,0,0,0,0|1,0,0]=3 3165 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [1,1,0,0,0,0|1,0,0]=3 3166 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|1,0,0]=3 3167 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [1,1,0,0,0,0|2,0,0]=4 3168 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [1,1,0,0,0,0|2,0,0]=4 3169 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.1 O=CCNCc1ccc(nc1)Br 2230a_100009817727_200015260668 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.1 O=CCNCc1ccc(nc1)Br 34a_100009817727_200009817547 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.1 O=CCNCc1ccc(nc1)Cl 2230a_100000735879_200015260668 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.1 O=CCNCc1ccc(nc1)Cl 34a_100000735879_200009817547 [1,1,0,0,0,0|2,0,0]=4 3174 B12R1.1 O=CCNCc1ccc(nc1)F 2230a_100000101913_200015260668 [1,1,0,0,0,0|2,0,0]=4 3175 B12R1.1 O=CCNCc1ccc(nc1)F 34a_100000101913_200009817547 [1,1,0,0,0,0|2,0,0]=4 3176 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [1,1,0,0,0,0|2,0,0]=4 3179 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [1,1,0,0,0,0|2,0,0]=4 3180 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [1,1,0,0,0,0|1,0,0]=3 3181 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [1,1,0,0,0,0|1,0,0]=3 3182 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [1,1,0,0,0,0|1,0,0]=3 3183 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [1,1,0,0,0,0|1,0,0]=3 3184 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [1,1,0,0,0,0|1,0,0]=3 3185 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [1,1,0,0,0,0|1,0,0]=3 3186 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [1,1,0,0,0,0|1,0,0]=3 3187 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [1,1,0,0,0,0|2,0,0]=4 3188 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [1,1,0,0,0,0|2,0,0]=4 3189 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [1,1,0,0,0,0|2,0,0]=4 3190 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [1,1,0,0,0,0|2,0,0]=4 3191 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [1,1,0,0,0,0|2,0,0]=4 3192 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [1,1,0,0,0,0|2,0,0]=4 3193 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [1,1,0,0,0,0|2,0,0]=4 3194 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [1,1,0,0,0,0|2,0,0]=4 3195 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [1,1,0,0,0,0|1,0,0]=3 3196 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [1,1,0,0,0,0|1,0,0]=3 3197 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [1,1,0,0,0,0|1,0,0]=3 3198 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [1,1,0,0,0,0|1,0,0]=3 3199 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [1,1,0,0,0,0|1,0,0]=3 3200 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [1,1,0,0,0,0|1,0,0]=3 3201 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [1,1,0,0,0,0|1,0,0]=3 3202 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [1,1,0,0,0,0|1,0,0]=3 3203 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [1,1,0,0,0,0|2,0,0]=4 3208 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [1,1,0,0,0,0|2,0,0]=4 3209 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_100009831999_200015260668 [1,1,0,0,0,0|2,0,0]=4 3210 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_200015260668_100009831999 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_100000735431_200015260668 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_200015260668_100000735431 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.1 O=CCSCc1ccc(nc1)F 62a_100009820150_200015260668 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.1 O=CCSCc1ccc(nc1)F 62a_200015260668_100000099788 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|1,0,0]=3 3216 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [1,1,0,0,0,0|2,0,0]=4 3217 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [1,1,0,0,0,0|2,0,0]=4 3218 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [1,1,0,0,0,0|2,0,0]=4 3222 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [1,1,0,0,0,0|2,0,0]=4 3226 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [1,1,0,0,0,0|1,0,1]=4 3235 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [1,1,0,0,0,0|1,0,1]=4 3236 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [1,1,0,0,0,0|1,0,1]=4 3237 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [1,1,0,0,0,0|1,0,1]=4 3238 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [1,1,0,0,0,0|1,0,1]=4 3239 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [1,1,0,0,0,0|1,0,1]=4 3240 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [1,1,0,0,0,0|1,0,1]=4 3241 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [1,1,0,0,0,0|1,0,1]=4 3242 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [1,1,0,0,0,0|1,0,1]=4 3243 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [1,1,0,0,0,0|1,0,1]=4 3244 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 3245 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [1,1,0,0,0,0|1,0,1]=4 3246 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 3247 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [1,1,0,0,0,0|1,0,1]=4 3248 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [1,1,0,0,0,0|1,0,1]=4 3249 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [1,1,0,0,0,0|1,0,1]=4 3250 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [1,1,0,0,0,0|1,0,1]=4 3251 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [1,1,0,0,0,0|1,0,1]=4 3252 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [1,1,0,0,0,0|1,0,1]=4 3253 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [1,1,0,0,0,0|1,0,1]=4 3254 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [1,1,0,0,0,0|1,0,1]=4 3255 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [1,1,0,0,0,0|1,0,1]=4 3256 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [1,1,0,0,0,0|1,0,1]=4 3257 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 3258 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [1,1,0,0,0,0|1,0,1]=4 3259 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 3260 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [1,1,0,0,0,0|1,0,1]=4 3261 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [1,1,0,0,0,0|1,0,1]=4 3262 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [1,1,0,0,0,0|1,0,0]=3 3263 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 3264 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 3265 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 3267 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [1,1,0,0,0,0|1,0,0]=3 3269 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [1,1,0,0,0,0|1,0,0]=3 3270 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [1,1,0,0,0,0|2,0,0]=4 3271 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [1,1,0,0,0,0|2,0,0]=4 3272 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [1,1,0,0,0,0|2,0,0]=4 3273 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [1,1,0,0,0,0|1,0,0]=3 3277 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [1,1,0,0,0,0|1,0,0]=3 3278 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [1,1,0,0,0,0|1,0,0]=3 3279 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [1,1,0,0,0,0|1,0,0]=3 3280 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [1,1,0,0,0,0|1,0,0]=3 3281 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [1,1,0,0,0,0|2,0,0]=4 3282 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [1,1,0,0,0,0|2,0,0]=4 3283 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [1,1,0,0,0,0|2,0,0]=4 3284 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [1,1,0,0,0,0|2,0,0]=4 3285 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [1,1,0,0,0,0|2,0,0]=4 3286 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [1,1,0,0,0,0|2,0,0]=4 3287 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [1,1,0,0,0,0|2,0,0]=4 3288 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [1,1,0,0,0,0|2,0,0]=4 3289 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 3290 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [1,1,0,0,0,0|1,0,0]=3 3291 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 3292 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [1,1,0,0,0,0|1,0,0]=3 3295 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [1,1,0,0,0,0|1,0,0]=3 3296 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [1,1,0,0,0,0|2,0,0]=4 3297 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [1,1,0,0,0,0|2,0,0]=4 3299 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [1,1,0,0,0,0|2,0,0]=4 3301 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [1,1,0,0,0,0|1,0,0]=3 3303 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [1,1,0,0,0,0|1,0,0]=3 3304 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [1,1,0,0,0,0|1,0,0]=3 3305 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [1,1,0,0,0,0|2,0,0]=4 3306 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [1,1,0,0,0,0|1,0,0]=3 3311 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [1,1,0,0,0,0|1,0,0]=3 3312 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [1,1,0,0,0,0|1,0,0]=3 3313 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [1,1,0,0,0,0|1,0,0]=3 3317 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [1,1,0,0,0,0|1,0,0]=3 3318 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [1,1,0,0,0,0|1,0,1]=4 3332 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [1,1,0,0,0,0|1,0,1]=4 3333 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 3334 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 3335 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [1,1,0,0,0,0|1,0,1]=4 3336 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [1,1,0,0,0,0|1,0,1]=4 3337 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [1,1,0,0,0,0|1,0,1]=4 3339 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,1,0,0,0,0|1,0,1]=4 3340 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,1,0,0,0,0|1,0,1]=4 3341 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [1,1,0,0,0,0|1,0,1]=4 3342 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [1,1,0,0,0,0|1,0,1]=4 3343 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 3344 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [1,1,0,0,0,0|1,0,1]=4 3345 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [1,1,0,0,0,0|1,0,1]=4 3346 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [1,1,0,0,0,0|1,0,1]=4 3347 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [1,1,0,0,0,0|1,0,1]=4 3349 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [1,1,0,0,0,0|1,0,1]=4 3350 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [1,1,0,0,0,0|1,0,1]=4 3351 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [1,1,0,0,0,0|1,0,1]=4 3352 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [1,1,0,0,0,0|1,0,1]=4 3353 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [1,1,0,0,0,0|1,0,1]=4 3354 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 3356 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,1,0,0,0,0|1,0,1]=4 3357 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [1,1,0,0,0,0|1,0,1]=4 3358 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [1,1,0,0,0,0|1,0,1]=4 3359 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [1,1,0,0,0,0|1,0,1]=4 3360 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [1,1,0,0,0,0|1,0,1]=4 3361 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,1,0,0,0,0|1,0,1]=4 3364 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3365 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 3366 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,1,0,0,0,0|1,0,1]=4 3367 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,1,0,0,0,0|1,0,1]=4 3368 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [1,1,0,0,0,0|1,0,1]=4 3369 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [1,1,0,0,0,0|1,0,1]=4 3370 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 3371 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 3372 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [1,1,0,0,0,0|1,0,1]=4 3373 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [1,1,0,0,0,0|1,0,1]=4 3374 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 3377 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 3385 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 3386 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 3387 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [1,1,0,0,0,0|2,0,0]=4 3388 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 3390 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [1,1,0,0,0,0|2,0,0]=4 3391 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 3392 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [1,1,0,0,0,0|2,0,0]=4 3393 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,1,0,0,0,0|0,0,2]=4 3395 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,1,0,0,0,0|0,0,2]=4 3396 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,1,0,0,0,0|0,0,2]=4 3397 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [1,1,0,0,0,0|2,0,0]=4 3398 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|2,0,0]=4 3399 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [1,1,0,0,0,0|2,0,0]=4 3400 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3401 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [1,1,0,0,0,0|2,0,0]=4 3402 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [1,1,0,0,0,0|2,0,0]=4 3410 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [1,1,0,0,0,0|2,0,0]=4 3411 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [1,1,0,0,0,0|2,0,0]=4 3412 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [1,1,0,0,0,0|2,0,0]=4 3413 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [1,1,0,0,0,0|2,0,0]=4 3417 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [1,1,0,0,0,0|2,0,0]=4 3418 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [1,1,0,0,0,0|2,0,0]=4 3419 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [1,1,0,0,0,0|2,0,0]=4 3420 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [1,1,0,0,0,0|2,0,0]=4 3421 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [1,1,0,0,0,0|2,0,0]=4 3422 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [1,1,0,0,0,0|2,0,0]=4 3423 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,1,0,0,0,0|2,0,0]=4 3425 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [1,1,0,0,0,0|2,0,0]=4 3426 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [1,1,0,0,0,0|0,1,1]=4 3428 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [1,1,0,0,0,0|0,1,1]=4 3429 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [1,1,0,0,0,0|2,0,0]=4 3431 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [1,1,0,0,0,0|2,0,0]=4 3432 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [1,1,0,0,0,0|2,0,0]=4 3434 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [1,1,0,0,0,0|2,0,0]=4 3435 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [1,1,0,0,0,0|2,0,0]=4 3436 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [1,1,0,0,0,0|2,0,0]=4 3447 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [1,1,0,0,0,0|1,0,1]=4 3454 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [1,1,0,0,0,0|1,0,1]=4 3455 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 3456 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 3457 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [1,1,0,0,0,0|1,0,1]=4 3458 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [1,1,0,0,0,0|1,0,1]=4 3459 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 3460 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 3461 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 3462 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [1,1,0,0,0,0|1,0,1]=4 3463 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [1,1,0,0,0,0|1,0,1]=4 3464 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [1,1,0,0,0,0|1,0,1]=4 3465 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 3466 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [1,1,0,0,0,0|1,0,1]=4 3467 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 3468 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [1,1,0,0,0,0|1,0,1]=4 3469 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [1,1,0,0,0,0|1,0,1]=4 3470 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 3471 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [1,1,0,0,0,0|1,0,1]=4 3472 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [1,1,0,0,0,0|1,0,1]=4 3473 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 3474 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [1,1,0,0,0,0|1,0,1]=4 3475 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [1,1,0,0,0,0|1,0,1]=4 3476 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [1,1,0,0,0,0|1,0,1]=4 3477 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [1,1,0,0,0,0|1,0,1]=4 3478 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [1,1,0,0,0,0|1,0,1]=4 3479 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [1,1,0,0,0,0|1,0,1]=4 3480 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [1,1,0,0,0,0|1,0,1]=4 3481 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [1,1,0,0,0,0|1,0,1]=4 3482 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [1,1,0,0,0,0|1,0,1]=4 3483 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [1,1,0,0,0,0|1,0,1]=4 3484 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [1,1,0,0,0,0|1,0,1]=4 3485 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [1,1,0,0,0,0|1,0,1]=4 3486 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [1,1,0,0,0,0|1,0,1]=4 3487 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [1,1,0,0,0,0|1,0,1]=4 3488 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [1,1,0,0,0,0|1,0,1]=4 3489 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [1,1,0,0,0,0|1,0,1]=4 3490 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [1,1,0,0,0,0|1,0,1]=4 3491 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [1,1,0,0,0,0|1,0,1]=4 3492 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [1,1,0,0,0,0|1,0,1]=4 3493 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [1,1,0,0,0,0|1,0,1]=4 3494 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [1,1,0,0,0,0|1,0,1]=4 3495 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [1,1,0,0,0,0|1,0,1]=4 3496 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [1,1,0,0,0,0|0,0,0]=2 3498 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [1,1,0,0,0,0|1,0,0]=3 3499 B12R1.8 O=CCCCOc1cncnc1 7a_100000754086_200011292268 [1,1,0,0,0,0|2,0,0]=4 3500 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [1,1,0,0,0,0|0,0,0]=2 3501 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [1,1,0,0,0,0|0,0,0]=2 3502 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [1,1,0,0,0,0|1,0,0]=3 3503 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [1,1,0,0,0,0|1,0,0]=3 3504 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [1,1,0,0,0,0|1,0,0]=3 3505 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [1,1,0,0,0,0|1,0,0]=3 3506 B12R1.8 O=CCCCSc1cccnn1 62a_100016991348_200011292268 [1,1,0,0,0,0|2,0,0]=4 3507 B12R1.8 O=CCCCSc1cccnn1 62a_200011292268_100016991348 [1,1,0,0,0,0|2,0,0]=4 3508 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [1,1,0,0,0,0|1,0,0]=3 3509 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [1,1,0,0,0,0|1,0,0]=3 3510 B12R1.8 O=CCCCSc1ccncn1 62a_100000703185_200011292268 [1,1,0,0,0,0|2,0,0]=4 3511 B12R1.8 O=CCCCSc1ccncn1 62a_200011292268_100000703185 [1,1,0,0,0,0|2,0,0]=4 3512 B12R1.8 O=CCCCSc1ccnnc1 62a_100000732662_200011292268 [1,1,0,0,0,0|2,0,0]=4 3513 B12R1.8 O=CCCCSc1ccnnc1 62a_200011292268_100000732662 [1,1,0,0,0,0|2,0,0]=4 3514 B12R1.8 O=CCCCSc1cnccn1 62a_100000211759_200011292268 [1,1,0,0,0,0|2,0,0]=4 3515 B12R1.8 O=CCCCSc1cnccn1 62a_200011292268_100000211759 [1,1,0,0,0,0|2,0,0]=4 3516 B12R1.8 O=CCCCSc1cncnc1 62a_100011206942_200011292268 [1,1,0,0,0,0|2,0,0]=4 3517 B12R1.8 O=CCCCSc1cncnc1 62a_200011292268_100011206942 [1,1,0,0,0,0|2,0,0]=4 3518 B12R1.8 O=CCCCSc1ncccn1 62a_100000211032_200011292268 [1,1,0,0,0,0|2,0,0]=4 3519 B12R1.8 O=CCCCSc1ncccn1 62a_200011292268_100000211032 [1,1,0,0,0,0|2,0,0]=4 3520 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [1,1,0,0,0,0|0,0,0]=2 3521 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [1,1,0,0,0,0|0,0,0]=2 3522 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [1,1,0,0,0,0|1,0,0]=3 3523 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [1,1,0,0,0,0|0,0,0]=2 3524 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [1,1,0,0,0,0|0,0,0]=2 3525 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [1,1,0,0,0,0|1,0,0]=3 3526 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [1,1,0,0,0,0|1,0,0]=3 3527 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [1,1,0,0,0,0|1,0,0]=3 3528 B12R1.8 O=CCOCCc1cnccn1 34a_100011349526_200009817547 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.8 O=CCOCCc1cncnc1 34a_100011709255_200009817547 [1,1,0,0,0,0|2,0,0]=4 3530 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [1,1,0,0,0,0|0,0,0]=2 3531 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [1,1,0,0,0,0|0,0,0]=2 3532 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [1,1,0,0,0,0|1,0,0]=3 3533 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [1,1,0,0,0,0|1,0,0]=3 3534 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [1,1,0,0,0,0|1,0,0]=3 3535 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [1,1,0,0,0,0|1,0,0]=3 3536 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [1,1,0,0,0,0|1,0,0]=3 3537 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [1,1,0,0,0,0|1,0,0]=3 3538 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [1,1,0,0,0,0|1,0,0]=3 3539 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [1,1,0,0,0,0|1,0,0]=3 3540 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [1,1,0,0,0,0|0,0,2]=4 3541 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [1,1,0,0,0,0|0,0,2]=4 3542 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [1,1,0,0,0,0|0,0,2]=4 3543 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [1,1,0,0,0,0|0,0,2]=4 3544 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [1,1,0,0,0,0|0,0,2]=4 3545 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [1,1,0,0,0,0|0,0,2]=4 3546 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [1,1,0,0,0,0|0,0,2]=4 3547 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [1,1,0,0,0,0|0,0,2]=4 3548 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [1,1,0,0,0,0|0,0,2]=4 3549 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [1,1,0,0,0,0|0,0,2]=4 3550 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [1,1,0,0,0,0|0,0,2]=4 3551 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [1,1,0,0,0,0|0,0,2]=4 3552 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [1,1,0,0,0,0|0,0,2]=4 3553 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,1,0,0,0,0|0,0,2]=4 3554 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,1,0,0,0,0|0,0,2]=4 3555 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,1,0,0,0,0|0,0,2]=4 3556 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,1,0,0,0,0|0,0,2]=4 3557 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [1,1,0,0,0,0|0,0,2]=4 3558 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [1,1,0,0,0,0|0,0,2]=4 3559 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [1,1,0,0,0,0|0,0,2]=4 3560 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [1,1,0,0,0,0|0,0,2]=4 3561 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 3562 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3565 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [1,1,0,0,0,0|2,0,0]=4 3566 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 3567 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 3568 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 3569 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 3570 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [1,1,0,0,0,0|2,0,0]=4 3571 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,1,0,0,0,0|0,0,2]=4 3572 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,1,0,0,0,0|0,0,2]=4 3573 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3575 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3576 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [1,1,0,0,0,0|2,0,0]=4 3577 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [1,1,0,0,0,0|2,0,0]=4 3579 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [1,1,0,0,0,0|2,0,0]=4 3581 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [1,1,0,0,0,0|0,1,1]=4 3582 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [1,1,0,0,0,0|0,1,1]=4 3583 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3584 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [1,1,0,0,0,0|2,0,0]=4 3585 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [1,1,0,0,0,0|2,0,0]=4 3586 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [1,1,0,0,0,0|2,0,0]=4 3587 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [1,1,0,0,0,0|2,0,0]=4 3588 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [1,1,0,0,0,0|2,0,0]=4 3589 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [1,1,0,0,0,0|2,0,0]=4 3590 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [1,1,0,0,0,0|2,0,0]=4 3591 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [1,1,0,0,0,0|2,0,0]=4 3592 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 3593 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 3594 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [1,1,0,0,0,0|2,0,0]=4 3595 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [1,1,0,0,0,0|2,0,0]=4 3596 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [1,1,0,0,0,0|2,0,0]=4 3597 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [1,1,0,0,0,0|2,0,0]=4 3598 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [1,1,0,0,0,0|2,0,0]=4 3599 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [1,1,0,0,0,0|2,0,0]=4 3600 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [1,1,0,0,0,0|2,0,0]=4 3601 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [1,1,0,0,0,0|2,0,0]=4 3602 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [1,1,0,0,0,0|2,0,0]=4 3603 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [1,1,0,0,0,0|2,0,0]=4 3604 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [1,1,0,0,0,0|2,0,0]=4 3605 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [1,1,0,0,0,0|2,0,0]=4 3606 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [1,1,0,0,0,0|2,0,0]=4 3607 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [1,1,0,0,0,0|2,0,0]=4 3608 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [1,1,0,0,0,0|2,0,0]=4 3609 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [1,1,0,0,0,0|2,0,0]=4 3610 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [1,1,0,0,0,0|2,0,0]=4 3611 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [1,1,0,0,0,0|2,0,0]=4 3612 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [1,1,0,0,0,0|2,0,0]=4 3613 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [1,1,0,0,0,0|2,0,0]=4 3614 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [1,1,0,0,0,0|2,0,0]=4 3615 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [1,1,0,0,0,0|2,0,0]=4 3616 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [1,1,0,0,0,0|2,0,0]=4 3617 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [1,1,0,0,0,0|2,0,0]=4 3618 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [1,1,0,0,0,0|2,0,0]=4 3619 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [1,1,0,0,0,0|2,0,0]=4 3620 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [1,1,0,0,0,0|2,0,0]=4 3621 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [1,1,0,0,0,0|2,0,0]=4 3622 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [1,1,0,0,0,0|2,0,0]=4 3623 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [1,1,0,0,0,0|2,0,0]=4 3624 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [1,1,0,0,0,0|2,0,0]=4 3625 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [1,1,0,0,0,0|2,0,0]=4 3626 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [1,1,0,0,0,0|2,0,0]=4 3627 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [1,1,0,0,0,0|2,0,0]=4 3628 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [1,1,0,0,0,0|2,0,0]=4 3629 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [1,1,0,0,0,0|2,0,0]=4 3630 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [1,1,0,0,0,0|2,0,0]=4 3631 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [1,1,0,0,0,0|2,0,0]=4 3632 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [1,1,0,0,0,0|2,0,0]=4 3633 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [1,1,0,0,0,0|2,0,0]=4 3634 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [1,1,0,0,0,0|2,0,0]=4 3635 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [1,1,0,0,0,0|2,0,0]=4 3636 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [1,1,0,0,0,0|2,0,0]=4 3637 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [1,1,0,0,0,0|2,0,0]=4 3638 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [1,1,0,0,0,0|2,0,0]=4 3639 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [1,1,0,0,0,0|2,0,0]=4 3640 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [1,1,0,0,0,0|2,0,0]=4 3641 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [1,1,0,0,0,0|2,0,0]=4 3642 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [1,1,0,0,0,0|2,0,0]=4 3643 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [1,1,0,0,0,0|2,0,0]=4 3644 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [1,1,0,0,0,0|2,0,0]=4 3645 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [1,1,0,0,0,0|2,0,0]=4 3646 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [1,1,0,0,0,0|2,0,0]=4 3647 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [1,1,0,0,0,0|2,0,0]=4 3648 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [1,1,0,0,0,0|2,0,0]=4 3649 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [1,1,0,0,0,0|2,0,0]=4 3650 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [1,1,0,0,0,0|2,0,0]=4 3651 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [1,1,0,0,0,0|2,0,0]=4 3652 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [1,1,0,0,0,0|2,0,0]=4 3653 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [1,1,0,0,0,0|2,0,0]=4 3654 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [1,1,0,0,0,0|2,0,0]=4 3655 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [1,1,0,0,0,0|2,0,0]=4 3656 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [1,1,0,0,0,0|2,0,0]=4 3657 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [1,1,0,0,0,0|2,0,0]=4 3665 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [1,1,0,0,0,0|2,0,0]=4 3669 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [1,1,0,0,0,0|2,0,0]=4 3671 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [1,1,0,0,0,0|2,0,0]=4 3672 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [1,1,0,0,0,0|2,0,0]=4 3673 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [1,1,0,0,0,0|2,0,0]=4 3674 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [1,1,0,0,0,0|2,0,0]=4 3675 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [1,1,0,0,0,0|2,0,0]=4 3676 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [1,1,0,0,0,0|2,0,0]=4 3677 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [1,1,0,0,0,0|2,0,0]=4 3678 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [1,1,0,0,0,0|2,0,0]=4 3679 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [1,1,0,0,0,0|2,0,0]=4 3680 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3681 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3682 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [1,1,0,0,0,0|2,0,0]=4 3683 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [1,1,0,0,0,0|2,0,0]=4 3684 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [1,1,0,0,0,0|2,0,0]=4 3685 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [1,1,0,0,0,0|2,0,0]=4 3686 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [1,1,0,0,0,0|2,0,0]=4 3687 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [1,1,0,0,0,0|2,0,0]=4 3688 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [1,1,0,0,0,0|2,0,0]=4 3689 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3690 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [1,1,0,0,0,0|2,0,0]=4 3691 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3692 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3694 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [1,1,0,0,0,0|2,0,0]=4 3695 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3696 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [1,1,0,0,0,0|2,0,0]=4 3699 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [1,1,0,0,0,0|2,0,0]=4 3700 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3701 B12R1.28 Cc1cc(ccn1)CNCC=O 34a_100011934566_200009817547 [1,1,0,0,0,0|2,0,0]=4 3702 B12R1.28 Cc1cc(ccn1)COCC=O 34a_100011998630_200009817547 [1,1,0,0,0,0|2,0,0]=4 3703 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200015260668_200020672517 [1,1,0,0,0,0|2,0,0]=4 3704 B12R1.28 Cc1cc(ccn1)CSCC=O 62a_200020672517_200015260668 [1,1,0,0,0,0|2,0,0]=4 3705 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3706 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3707 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [1,1,0,0,0,0|1,0,0]=3 3708 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [1,1,0,0,0,0|1,0,0]=3 3709 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [1,1,0,0,0,0|1,0,0]=3 3710 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [1,1,0,0,0,0|1,0,0]=3 3711 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [1,1,0,0,0,0|1,0,0]=3 3712 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [1,1,0,0,0,0|1,0,0]=3 3713 B12R1.28 Cc1cccc(n1)CNCC=O 34a_100000701342_200009817547 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.28 Cc1cccc(n1)CSCC=O 62a_100000757606_200015260668 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.28 Cc1cccc(n1)CSCC=O 62a_200015260668_100000757606 [1,1,0,0,0,0|2,0,0]=4 3717 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [1,1,0,0,0,0|2,0,0]=4 3718 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_100000718516_200015260668 [1,1,0,0,0,0|2,0,0]=4 3719 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_200015260668_100000718516 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.28 Cc1cncc(c1)CNCC=O 2230a_100000692839_200015260668 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.28 Cc1cncc(c1)CNCC=O 34a_100000692839_200009817547 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.28 Cc1cncc(c1)COCC=O 34a_100011998709_200009817547 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.28 Cc1cncc(c1)COCC=O 7a_100011998709_200015260668 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.28 Cc1cncc(c1)CSCC=O 62a_100000716715_200015260668 [1,1,0,0,0,0|2,0,0]=4 3725 B12R1.28 Cc1cncc(c1)CSCC=O 62a_200015260668_100000716715 [1,1,0,0,0,0|2,0,0]=4 3726 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [1,1,0,0,0,0|1,0,0]=3 3727 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [1,1,0,0,0,0|2,0,0]=4 3728 B12R1.28 Nc1cncc(c1)COCC=O 34a_100000085308_200009817547 [1,1,0,0,0,0|2,0,0]=4 3729 B12R1.28 O=CCNCc1cccc(=O)[nH]1 2230a_100000696482_200015260668 [1,1,0,0,0,0|2,0,0]=4 3730 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [1,1,0,0,0,0|1,0,0]=3 3731 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [1,1,0,0,0,0|1,0,0]=3 3732 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [1,1,0,0,0,0|1,0,0]=3 3733 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [1,1,0,0,0,0|1,0,0]=3 3734 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [1,1,0,0,0,0|1,0,0]=3 3735 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [1,1,0,0,0,0|1,0,0]=3 3736 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [1,1,0,0,0,0|1,0,0]=3 3737 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [1,1,0,0,0,0|1,0,0]=3 3738 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|1,0,0]=3 3739 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|1,0,0]=3 3740 B12R1.28 O=CCNCc1cccc(n1)Br 2230a_100016987751_200015260668 [1,1,0,0,0,0|2,0,0]=4 3741 B12R1.28 O=CCNCc1cccc(n1)Cl 2230a_100016990191_200015260668 [1,1,0,0,0,0|2,0,0]=4 3742 B12R1.28 O=CCNCc1cccc(n1)F 2230a_100015188798_200015260668 [1,1,0,0,0,0|2,0,0]=4 3743 B12R1.28 O=CCNCc1cccc(n1)F 34a_100015188798_200009817547 [1,1,0,0,0,0|2,0,0]=4 3744 B12R1.28 O=CCNCc1ccnc(c1)Br 2230a_100025757509_200015260668 [1,1,0,0,0,0|2,0,0]=4 3745 B12R1.28 O=CCNCc1ccnc(c1)Br 34a_100025757509_200009817547 [1,1,0,0,0,0|2,0,0]=4 3746 B12R1.28 O=CCNCc1ccnc(c1)Cl 2230a_100015205668_200015260668 [1,1,0,0,0,0|2,0,0]=4 3747 B12R1.28 O=CCNCc1ccnc(c1)Cl 34a_100015205668_200009817547 [1,1,0,0,0,0|2,0,0]=4 3748 B12R1.28 O=CCNCc1ccnc(c1)F 2230a_100015188774_200015260668 [1,1,0,0,0,0|2,0,0]=4 3749 B12R1.28 O=CCNCc1ccnc(c1)F 34a_100015188774_200009817547 [1,1,0,0,0,0|2,0,0]=4 3750 B12R1.28 O=CCNCc1cncc(c1)Cl 2230a_200020614424_200015260668 [1,1,0,0,0,0|2,0,0]=4 3751 B12R1.28 O=CCNCc1cncc(c1)F 2230a_100011962886_200015260668 [1,1,0,0,0,0|2,0,0]=4 3752 B12R1.28 O=CCNCc1cncc(c1)F 34a_100011962886_200009817547 [1,1,0,0,0,0|2,0,0]=4 3753 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [1,1,0,0,0,0|2,0,0]=4 3754 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_200009817547 [1,1,0,0,0,0|2,0,0]=4 3755 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_200015260668 [1,1,0,0,0,0|2,0,0]=4 3756 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [1,1,0,0,0,0|1,0,0]=3 3757 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [1,1,0,0,0,0|1,0,0]=3 3758 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [1,1,0,0,0,0|1,0,0]=3 3759 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [1,1,0,0,0,0|1,0,0]=3 3760 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [1,1,0,0,0,0|1,0,0]=3 3761 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [1,1,0,0,0,0|1,0,0]=3 3762 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [1,1,0,0,0,0|1,0,0]=3 3763 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [1,1,0,0,0,0|1,0,0]=3 3764 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [1,1,0,0,0,0|2,0,0]=4 3765 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [1,1,0,0,0,0|2,0,0]=4 3766 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [1,1,0,0,0,0|2,0,0]=4 3767 B12R1.28 O=CCOCc1ccnc(c1)Br 34a_100009814636_200009817547 [1,1,0,0,0,0|2,0,0]=4 3768 B12R1.28 O=CCOCc1ccnc(c1)Br 7a_100009814636_200015260668 [1,1,0,0,0,0|2,0,0]=4 3769 B12R1.28 O=CCOCc1ccnc(c1)Cl 34a_100000748751_200009817547 [1,1,0,0,0,0|2,0,0]=4 3770 B12R1.28 O=CCOCc1ccnc(c1)F 34a_100000082451_200009817547 [1,1,0,0,0,0|2,0,0]=4 3771 B12R1.28 O=CCOCc1cncc(c1)Br 34a_100011259137_200009817547 [1,1,0,0,0,0|2,0,0]=4 3772 B12R1.28 O=CCOCc1cncc(c1)Br 7a_100011259137_200015260668 [1,1,0,0,0,0|2,0,0]=4 3773 B12R1.28 O=CCOCc1cncc(c1)Cl 34a_100000092867_200009817547 [1,1,0,0,0,0|2,0,0]=4 3774 B12R1.28 O=CCOCc1cncc(c1)Cl 7a_100000092867_200015260668 [1,1,0,0,0,0|2,0,0]=4 3775 B12R1.28 O=CCOCc1cncc(c1)F 34a_100011962875_200009817547 [1,1,0,0,0,0|2,0,0]=4 3776 B12R1.28 O=CCOCc1cncc(c1)F 7a_100011962875_200015260668 [1,1,0,0,0,0|2,0,0]=4 3777 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_100010173614_200015260668 [1,1,0,0,0,0|2,0,0]=4 3778 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_200015260668_100010173614 [1,1,0,0,0,0|2,0,0]=4 3779 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_100016988179_200015260668 [1,1,0,0,0,0|2,0,0]=4 3780 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_200015260668_100016988179 [1,1,0,0,0,0|2,0,0]=4 3781 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [1,1,0,0,0,0|1,0,0]=3 3782 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [1,1,0,0,0,0|1,0,0]=3 3783 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [1,1,0,0,0,0|1,0,0]=3 3784 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [1,1,0,0,0,0|1,0,0]=3 3785 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [1,1,0,0,0,0|1,0,0]=3 3786 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [1,1,0,0,0,0|1,0,0]=3 3787 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [1,1,0,0,0,0|1,0,0]=3 3788 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [1,1,0,0,0,0|1,0,0]=3 3789 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|1,0,0]=3 3790 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|1,0,0]=3 3791 B12R1.28 O=CCSCc1cccc(n1)Br 62a_100009889011_200015260668 [1,1,0,0,0,0|2,0,0]=4 3792 B12R1.28 O=CCSCc1cccc(n1)Br 62a_200015260668_100009889011 [1,1,0,0,0,0|2,0,0]=4 3793 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_100000086093_200015260668 [1,1,0,0,0,0|2,0,0]=4 3794 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_200015260668_100000086093 [1,1,0,0,0,0|2,0,0]=4 3795 B12R1.28 O=CCSCc1cccc(n1)F 62a_100009819644_200015260668 [1,1,0,0,0,0|2,0,0]=4 3796 B12R1.28 O=CCSCc1cccc(n1)F 62a_200015260668_100009819644 [1,1,0,0,0,0|2,0,0]=4 3797 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_100010254460_200015260668 [1,1,0,0,0,0|2,0,0]=4 3798 B12R1.28 O=CCSCc1ccnc(c1)Br 62a_200015260668_100010243470 [1,1,0,0,0,0|2,0,0]=4 3799 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_100000764220_200015260668 [1,1,0,0,0,0|2,0,0]=4 3800 B12R1.28 O=CCSCc1ccnc(c1)Cl 62a_200015260668_100000764220 [1,1,0,0,0,0|2,0,0]=4 3801 B12R1.28 O=CCSCc1cncc(c1)Br 62a_100000738771_200015260668 [1,1,0,0,0,0|2,0,0]=4 3802 B12R1.28 O=CCSCc1cncc(c1)Br 62a_200015260668_100000738771 [1,1,0,0,0,0|2,0,0]=4 3803 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_100016992070_200015260668 [1,1,0,0,0,0|2,0,0]=4 3804 B12R1.28 O=CCSCc1cncc(c1)Cl 62a_200015260668_100016992070 [1,1,0,0,0,0|2,0,0]=4 3805 B12R1.28 O=CCSCc1cncc(c1)F 62a_100000725299_200015260668 [1,1,0,0,0,0|2,0,0]=4 3806 B12R1.28 O=CCSCc1cncc(c1)F 62a_200015260668_100000725299 [1,1,0,0,0,0|2,0,0]=4 3807 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [1,1,0,0,0,0|2,0,0]=4 3808 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [1,1,0,0,0,0|2,0,0]=4 3809 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [1,1,0,0,0,0|2,0,0]=4 3810 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [1,1,0,0,0,0|2,0,0]=4 3811 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [1,1,0,0,0,0|2,0,0]=4 3812 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [1,1,0,0,0,0|2,0,0]=4 3813 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 3814 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [1,1,0,0,0,0|2,0,0]=4 3815 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3817 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3818 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3819 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [1,1,0,0,0,0|2,0,0]=4 3821 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [1,1,0,0,0,0|2,0,0]=4 3823 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [1,1,0,0,0,0|1,0,1]=4 3824 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3826 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3827 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,1,0,0,0,0|2,0,0]=4 3828 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,1,0,0,0,0|2,0,0]=4 3829 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [1,1,0,0,0,0|2,0,0]=4 3830 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [1,1,0,0,0,0|2,0,0]=4 3831 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [1,1,0,0,0,0|2,0,0]=4 3832 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [1,1,0,0,0,0|2,0,0]=4 3833 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [1,1,0,0,0,0|2,0,0]=4 3836 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [1,1,0,0,0,0|2,0,0]=4 3837 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|1,0,0]=3 3838 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|1,0,0]=3 3839 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|1,0,0]=3 3849 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|1,0,0]=3 3850 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|1,0,0]=3 3851 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3852 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|2,0,0]=4 3853 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|2,0,0]=4 3854 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|2,0,0]=4 3855 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [1,1,0,0,0,0|1,0,1]=4 3856 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [1,1,0,0,0,0|2,0,0]=4 3857 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [1,1,0,0,0,0|2,0,0]=4 3858 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [1,1,0,0,0,0|2,0,0]=4 3859 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [1,1,0,0,0,0|2,0,0]=4 3860 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [1,1,0,0,0,0|2,0,0]=4 3861 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [1,1,0,0,0,0|2,0,0]=4 3862 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [1,1,0,0,0,0|2,0,0]=4 3863 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|1,0,0]=3 3868 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|1,0,0]=3 3869 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [1,1,0,0,0,0|2,0,0]=4 3873 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [1,1,0,0,0,0|2,0,0]=4 3874 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,1,0,0,0,0|2,0,0]=4 3876 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|2,0,0]=4 3881 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|2,0,0]=4 3882 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|2,0,0]=4 3883 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3884 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,1,0,0,0,0|2,0,0]=4 3885 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,1,0,0,0,0|2,0,0]=4 3886 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|2,0,0]=4 3887 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3888 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,1,0,0,0,0|2,0,0]=4 3889 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [1,1,0,0,0,0|2,0,0]=4 3890 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [1,1,0,0,0,0|2,0,0]=4 3891 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [1,1,0,0,0,0|2,0,0]=4 3892 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [1,1,0,0,0,0|2,0,0]=4 3893 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [1,1,0,0,0,0|2,0,0]=4 3894 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [1,1,0,0,0,0|2,0,0]=4 3895 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [1,1,0,0,0,0|2,0,0]=4 3896 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [1,1,0,0,0,0|2,0,0]=4 3897 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [1,1,0,0,0,0|2,0,0]=4 3898 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [1,1,0,0,0,0|2,0,0]=4 3899 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [1,1,0,0,0,0|2,0,0]=4 3900 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [1,1,0,0,0,0|2,0,0]=4 3901 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [1,1,0,0,0,0|2,0,0]=4 3902 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [1,1,0,0,0,0|2,0,0]=4 3903 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [1,1,0,0,0,0|2,0,0]=4 3904 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [1,1,0,0,0,0|2,0,0]=4 3905 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [1,1,0,0,0,0|2,0,0]=4 3906 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [1,1,0,0,0,0|2,0,0]=4 3907 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [1,1,0,0,0,0|2,0,0]=4 3908 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,1,0,0,0,0|0,0,2]=4 3909 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,1,0,0,0,0|0,0,2]=4 3910 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [1,1,0,0,0,0|0,0,2]=4 3911 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,1,0,0,0,0|0,0,0]=2 3912 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,1,0,0,0,0|0,0,0]=2 3913 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,1,0,0,0,0|1,0,0]=3 3914 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,1,0,0,0,0|1,0,0]=3 3915 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,1,0,0,0,0|1,0,0]=3 3916 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,1,0,0,0,0|1,0,0]=3 3917 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,1,0,0,0,0|1,0,0]=3 3918 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [1,1,0,0,0,0|2,0,0]=4 3919 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,1,0,0,0,0|1,0,0]=3 3920 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,1,0,0,0,0|1,0,0]=3 3921 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,1,0,0,0,0|1,0,0]=3 3922 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,1,0,0,0,0|1,0,0]=3 3923 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [1,1,0,0,0,0|2,0,0]=4 3924 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [1,1,0,0,0,0|2,0,0]=4 3925 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [1,1,0,0,0,0|2,0,0]=4 3926 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [1,1,0,0,0,0|2,0,0]=4 3927 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [1,1,0,0,0,0|2,0,0]=4 3928 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [1,1,0,0,0,0|2,0,0]=4 3929 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,1,0,0,0,0|1,0,0]=3 3930 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,1,0,0,0,0|1,0,0]=3 3931 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [1,1,0,0,0,0|2,0,0]=4 3932 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [1,1,0,0,0,0|2,0,0]=4 3933 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,1,0,0,0,0|1,0,0]=3 3934 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,1,0,0,0,0|1,0,0]=3 3935 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,1,0,0,0,0|1,0,0]=3 3937 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,1,0,0,0,0|1,0,0]=3 3938 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,1,0,0,0,0|1,0,0]=3 3939 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,1,0,0,0,0|1,0,0]=3 3940 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [1,1,0,0,0,0|2,0,0]=4 3941 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [1,1,0,0,0,0|2,0,0]=4 3943 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [1,1,0,0,0,0|2,0,0]=4 3944 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [1,1,0,0,0,0|2,0,0]=4 3945 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [1,1,0,0,0,0|2,0,0]=4 3946 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [1,1,0,0,0,0|2,0,0]=4 3947 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [1,1,0,0,0,0|2,0,0]=4 3948 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [1,1,0,0,0,0|2,0,0]=4 3949 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [1,1,0,0,0,0|2,0,0]=4 3950 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [1,1,0,0,0,0|2,0,0]=4 3951 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [1,1,0,0,0,0|2,0,0]=4 3952 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,1,0,0,0,0|2,0,0]=4 3953 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,1,0,0,0,0|2,0,0]=4 3954 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,1,0,0,0,0|2,0,0]=4 3955 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,1,0,0,0,0|2,0,0]=4 3956 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,1,0,0,0,0|2,0,0]=4 3957 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [1,1,0,0,0,0|2,0,0]=4 3959 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3960 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [1,1,0,0,0,0|2,0,0]=4 3961 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3962 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3963 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,1,0,0,0,0|1,0,0]=3 3964 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,1,0,0,0,0|1,0,0]=3 3965 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,1,0,0,0,0|1,0,0]=3 3966 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [1,1,0,0,0,0|2,0,0]=4 3967 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [1,1,0,0,0,0|2,0,0]=4 3968 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,1,0,0,0,0|1,0,0]=3 3970 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,1,0,0,0,0|1,0,0]=3 3971 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [1,1,0,0,0,0|2,0,0]=4 3972 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [1,1,0,0,0,0|2,0,0]=4 3974 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [1,1,0,0,0,0|2,0,0]=4 3975 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,1,0,0,0,0|1,0,0]=3 3978 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,1,0,0,0,0|1,0,0]=3 3979 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,1,0,0,0,0|1,0,0]=3 3980 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [1,1,0,0,0,0|2,0,0]=4 3981 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [1,1,0,0,0,0|2,0,0]=4 3982 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [1,1,0,0,0,0|2,0,0]=4 3983 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,1,0,0,0,0|1,0,0]=3 3984 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,1,0,0,0,0|1,0,0]=3 3985 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,1,0,0,0,0|1,0,0]=3 3986 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,1,0,0,0,0|1,0,0]=3 3987 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [1,1,0,0,0,0|2,0,0]=4 3988 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [1,1,0,0,0,0|2,0,0]=4 3989 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [1,1,0,0,0,0|2,0,0]=4 3990 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [1,1,0,0,0,0|2,0,0]=4 3991 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [1,1,0,0,0,0|2,0,0]=4 3992 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [1,1,0,0,0,0|2,0,0]=4 3993 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,1,0,0,0,0|1,0,0]=3 3994 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [1,1,0,0,0,0|2,0,0]=4 3995 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [1,1,0,0,0,0|2,0,0]=4 3996 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [1,1,0,0,0,0|2,0,0]=4 3997 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,1,0,0,0,0|1,0,0]=3 3998 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,1,0,0,0,0|1,0,0]=3 3999 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,1,0,0,0,0|1,0,0]=3 4000 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,1,0,0,0,0|1,0,0]=3 4001 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [1,1,0,0,0,0|2,0,0]=4 4002 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [1,1,0,0,0,0|2,0,0]=4 4003 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [1,1,0,0,0,0|2,0,0]=4 4004 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [1,1,0,0,0,0|2,0,0]=4 4005 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [1,1,0,0,0,0|2,0,0]=4 4006 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [1,1,0,0,0,0|2,0,0]=4 4007 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [1,1,0,0,0,0|2,0,0]=4 4008 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [1,1,0,0,0,0|2,0,0]=4 4009 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [1,1,0,0,0,0|2,0,0]=4 4010 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,1,0,0,0,0|0,0,2]=4 4011 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,1,0,0,0,0|0,0,0]=2 4012 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,1,0,0,0,0|1,0,0]=3 4013 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,1,0,0,0,0|1,0,0]=3 4014 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,1,0,0,0,0|1,0,0]=3 4015 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,1,0,0,0,0|1,0,0]=3 4016 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,1,0,0,0,0|1,0,0]=3 4017 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,1,0,0,0,0|1,0,0]=3 4018 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4019 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [1,1,0,0,0,0|2,0,0]=4 4020 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [1,1,0,0,0,0|2,0,0]=4 4021 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [1,1,0,0,0,0|2,0,0]=4 4022 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [1,1,0,0,0,0|2,0,0]=4 4023 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [1,1,0,0,0,0|2,0,0]=4 4024 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 4025 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [1,1,0,0,0,0|2,0,0]=4 4026 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [1,1,0,0,0,0|2,0,0]=4 4027 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [1,1,0,0,0,0|2,0,0]=4 4028 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [1,1,0,0,0,0|2,0,0]=4 4029 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [1,1,0,0,0,0|2,0,0]=4 4030 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [1,1,0,0,0,0|2,0,0]=4 4031 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [1,1,0,0,0,0|2,0,0]=4 4032 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [1,1,0,0,0,0|2,0,0]=4 4033 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 4034 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 4035 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 4036 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 4037 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [1,1,0,0,0,0|2,0,0]=4 4038 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [1,1,0,0,0,0|2,0,0]=4 4039 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [1,1,0,0,0,0|2,0,0]=4 4040 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [1,1,0,0,0,0|2,0,0]=4 4041 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [1,1,0,0,0,0|2,0,0]=4 4042 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [1,1,0,0,0,0|2,0,0]=4 4043 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [1,1,0,0,0,0|2,0,0]=4 4044 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [1,1,0,0,0,0|2,0,0]=4 4045 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [1,1,0,0,0,0|2,0,0]=4 4046 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [1,1,0,0,0,0|2,0,0]=4 4047 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [1,1,0,0,0,0|2,0,0]=4 4048 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [1,1,0,0,0,0|2,0,0]=4 4049 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [1,1,0,0,0,0|2,0,0]=4 4050 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [1,1,0,0,0,0|2,0,0]=4 4051 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [1,1,0,0,0,0|2,0,0]=4 4052 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [1,1,0,0,0,0|2,0,0]=4 4053 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [1,1,0,0,0,0|2,0,0]=4 4054 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [1,1,0,0,0,0|2,0,0]=4 4055 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [1,1,0,0,0,0|2,0,0]=4 4056 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [1,1,0,0,0,0|2,0,0]=4 4057 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [1,1,0,0,0,0|2,0,0]=4 4058 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [1,1,0,0,0,0|2,0,0]=4 4059 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [1,1,0,0,0,0|2,0,0]=4 4060 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [1,1,0,0,0,0|2,0,0]=4 4061 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [1,1,0,0,0,0|2,0,0]=4 4062 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [1,1,0,0,0,0|2,0,0]=4 4063 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [1,1,0,0,0,0|2,0,0]=4 4064 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [1,1,0,0,0,0|2,0,0]=4 4065 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [1,1,0,0,0,0|2,0,0]=4 4066 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [1,1,0,0,0,0|2,0,0]=4 4067 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [1,1,0,0,0,0|2,0,0]=4 4068 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [1,1,0,0,0,0|2,0,0]=4 4069 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [1,1,0,0,0,0|2,0,0]=4 4070 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [1,1,0,0,0,0|2,0,0]=4 4071 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [1,1,0,0,0,0|2,0,0]=4 4072 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [1,1,0,0,0,0|2,0,0]=4 4073 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [1,1,0,0,0,0|2,0,0]=4 4074 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [1,1,0,0,0,0|2,0,0]=4 4075 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [1,1,0,0,0,0|2,0,0]=4 4076 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [1,1,0,0,0,0|2,0,0]=4 4077 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [1,1,0,0,0,0|2,0,0]=4 4078 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [1,1,0,0,0,0|2,0,0]=4 4079 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [1,1,0,0,0,0|2,0,0]=4 4080 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [1,1,0,0,0,0|2,0,0]=4 4081 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [1,1,0,0,0,0|2,0,0]=4 4082 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [1,1,0,0,0,0|2,0,0]=4 4083 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [1,1,0,0,0,0|2,0,0]=4 4084 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [1,1,0,0,0,0|2,0,0]=4 4085 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [1,1,0,0,0,0|2,0,0]=4 4086 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [1,1,0,0,0,0|2,0,0]=4 4087 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [1,1,0,0,0,0|2,0,0]=4 4088 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [1,1,0,0,0,0|2,0,0]=4 4089 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [1,1,0,0,0,0|2,0,0]=4 4090 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [1,1,0,0,0,0|2,0,0]=4 4091 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [1,1,0,0,0,0|2,0,0]=4 4092 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [1,1,0,0,0,0|2,0,0]=4 4093 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [1,1,0,0,0,0|2,0,0]=4 4094 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [1,1,0,0,0,0|2,0,0]=4 4095 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [1,1,0,0,0,0|2,0,0]=4 4096 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [1,1,0,0,0,0|2,0,0]=4 4097 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [1,1,0,0,0,0|2,0,0]=4 4098 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [1,1,0,0,0,0|2,0,0]=4 4099 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [1,1,0,0,0,0|2,0,0]=4 4100 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [1,1,0,0,0,0|2,0,0]=4 4101 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [1,1,0,0,0,0|2,0,0]=4 4102 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [1,1,0,0,0,0|2,0,0]=4 4103 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [1,1,0,0,0,0|2,0,0]=4 4104 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [1,1,0,0,0,0|2,0,0]=4 4105 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [1,1,0,0,0,0|2,0,0]=4 4106 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|1,0,0]=3 4107 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|1,0,0]=3 4108 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|1,0,0]=3 4109 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|1,0,0]=3 4110 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|1,0,0]=3 4111 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [1,1,0,0,0,0|2,0,0]=4 4112 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [1,1,0,0,0,0|2,0,0]=4 4113 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [1,1,0,0,0,0|2,0,0]=4 4114 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [1,1,0,0,0,0|2,0,0]=4 4115 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [1,1,0,0,0,0|2,0,0]=4 4116 B12R1.267 Cc1ccncc1CSCC=O 62a_100000690890_200015260668 [1,1,0,0,0,0|2,0,0]=4 4117 B12R1.267 Cc1ccncc1CSCC=O 62a_200015260668_100000690890 [1,1,0,0,0,0|2,0,0]=4 4118 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [1,1,0,0,0,0|2,0,0]=4 4119 B12R1.267 Cc1cnccc1CSCC=O 62a_100020672808_200015260668 [1,1,0,0,0,0|2,0,0]=4 4120 B12R1.267 Cc1cnccc1CSCC=O 62a_200015260668_100020672808 [1,1,0,0,0,0|2,0,0]=4 4121 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [1,1,0,0,0,0|2,0,0]=4 4122 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [1,1,0,0,0,0|2,0,0]=4 4123 B12R1.267 Cc1ncccc1CSCC=O 62a_100000732876_200015260668 [1,1,0,0,0,0|2,0,0]=4 4124 B12R1.267 Cc1ncccc1CSCC=O 62a_200015260668_100000732876 [1,1,0,0,0,0|2,0,0]=4 4125 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [1,1,0,0,0,0|1,0,0]=3 4126 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [1,1,0,0,0,0|2,0,0]=4 4127 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [1,1,0,0,0,0|1,0,0]=3 4128 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [1,1,0,0,0,0|1,0,0]=3 4129 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [1,1,0,0,0,0|1,0,0]=3 4130 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [1,1,0,0,0,0|1,0,0]=3 4131 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [1,1,0,0,0,0|1,0,0]=3 4132 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|1,0,0]=3 4133 B12R1.267 O=CCNCc1cccnc1Br 2230a_100009818023_200015260668 [1,1,0,0,0,0|2,0,0]=4 4134 B12R1.267 O=CCNCc1cccnc1Br 34a_100009818023_200009817547 [1,1,0,0,0,0|2,0,0]=4 4135 B12R1.267 O=CCNCc1cccnc1Cl 2230a_100015189234_200015260668 [1,1,0,0,0,0|2,0,0]=4 4136 B12R1.267 O=CCNCc1cccnc1Cl 34a_100015189234_200009817547 [1,1,0,0,0,0|2,0,0]=4 4137 B12R1.267 O=CCNCc1cccnc1F 34a_100000724633_200009817547 [1,1,0,0,0,0|2,0,0]=4 4138 B12R1.267 O=CCNCc1ccncc1F 34a_100011935246_200009817547 [1,1,0,0,0,0|2,0,0]=4 4139 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [1,1,0,0,0,0|2,0,0]=4 4140 B12R1.267 O=CCNCc1ncccc1F 34a_100000690088_200009817547 [1,1,0,0,0,0|2,0,0]=4 4141 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [1,1,0,0,0,0|1,0,0]=3 4142 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [1,1,0,0,0,0|1,0,0]=3 4143 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [1,1,0,0,0,0|1,0,0]=3 4144 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [1,1,0,0,0,0|1,0,0]=3 4145 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [1,1,0,0,0,0|1,0,0]=3 4146 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [1,1,0,0,0,0|1,0,0]=3 4147 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [1,1,0,0,0,0|1,0,0]=3 4148 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [1,1,0,0,0,0|1,0,0]=3 4149 B12R1.267 O=CCOCc1cccnc1Br 34a_100000719692_200009817547 [1,1,0,0,0,0|2,0,0]=4 4150 B12R1.267 O=CCOCc1cccnc1Br 7a_100000719692_200015260668 [1,1,0,0,0,0|2,0,0]=4 4151 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [1,1,0,0,0,0|2,0,0]=4 4152 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [1,1,0,0,0,0|2,0,0]=4 4153 B12R1.267 O=CCOCc1cccnc1F 34a_100000079888_200009817547 [1,1,0,0,0,0|2,0,0]=4 4154 B12R1.267 O=CCOCc1cccnc1F 7a_100000079888_200015260668 [1,1,0,0,0,0|2,0,0]=4 4155 B12R1.267 O=CCOCc1ccncc1F 34a_100012172863_200009817547 [1,1,0,0,0,0|2,0,0]=4 4156 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [1,1,0,0,0,0|2,0,0]=4 4157 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [1,1,0,0,0,0|2,0,0]=4 4158 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [1,1,0,0,0,0|2,0,0]=4 4159 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [1,1,0,0,0,0|2,0,0]=4 4160 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [1,1,0,0,0,0|1,0,0]=3 4161 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [1,1,0,0,0,0|1,0,0]=3 4162 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [1,1,0,0,0,0|1,0,0]=3 4163 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [1,1,0,0,0,0|1,0,0]=3 4164 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [1,1,0,0,0,0|1,0,0]=3 4165 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [1,1,0,0,0,0|1,0,0]=3 4166 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [1,1,0,0,0,0|1,0,0]=3 4167 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [1,1,0,0,0,0|1,0,0]=3 4168 B12R1.267 O=CCSCc1cccnc1Br 62a_100010140945_200015260668 [1,1,0,0,0,0|2,0,0]=4 4169 B12R1.267 O=CCSCc1cccnc1Br 62a_200015260668_100010140945 [1,1,0,0,0,0|2,0,0]=4 4170 B12R1.267 O=CCSCc1cccnc1Cl 62a_100000045678_200015260668 [1,1,0,0,0,0|2,0,0]=4 4171 B12R1.267 O=CCSCc1cccnc1Cl 62a_200015260668_100000045678 [1,1,0,0,0,0|2,0,0]=4 4172 B12R1.267 O=CCSCc1cccnc1F 62a_100000099810_200015260668 [1,1,0,0,0,0|2,0,0]=4 4173 B12R1.267 O=CCSCc1cccnc1F 62a_200015260668_100000099810 [1,1,0,0,0,0|2,0,0]=4 4174 B12R1.267 O=CCSCc1ccncc1Cl 62a_100000763264_200015260668 [1,1,0,0,0,0|2,0,0]=4 4175 B12R1.267 O=CCSCc1ccncc1Cl 62a_200015260668_100000763264 [1,1,0,0,0,0|2,0,0]=4 4176 B12R1.267 O=CCSCc1ncccc1Br 62a_100025702911_200015260668 [1,1,0,0,0,0|2,0,0]=4 4177 B12R1.267 O=CCSCc1ncccc1Br 62a_200015260668_100025702911 [1,1,0,0,0,0|2,0,0]=4 4178 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [1,1,0,0,0,0|2,0,0]=4 4179 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [1,1,0,0,0,0|2,0,0]=4 4180 B12R1.267 O=CCSCc1ncccc1F 62a_100000104219_200015260668 [1,1,0,0,0,0|2,0,0]=4 4181 B12R1.267 O=CCSCc1ncccc1F 62a_200015260668_100000104219 [1,1,0,0,0,0|2,0,0]=4 4182 B12R1.267 O=CCSCc1ncccc1O 62a_200015260668_200020655725 [1,1,0,0,0,0|2,0,0]=4 4183 B12R1.267 O=CCSCc1ncccc1O 62a_200020655725_200015260668 [1,1,0,0,0,0|2,0,0]=4 4184 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [1,1,0,0,0,0|0,0,2]=4 4185 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [1,1,0,0,0,0|2,0,0]=4 4186 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [1,1,0,0,0,0|2,0,0]=4 4187 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [1,1,0,0,0,0|2,0,0]=4 4188 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [1,1,0,0,0,0|2,0,0]=4 4189 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [1,1,0,0,0,0|2,0,0]=4 4190 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [1,1,0,0,0,0|2,0,0]=4 4191 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [1,1,0,0,0,0|2,0,0]=4 4192 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [1,1,0,0,0,0|2,0,0]=4 4193 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [1,1,0,0,0,0|2,0,0]=4 4194 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [1,1,0,0,0,0|2,0,0]=4 4195 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [1,1,0,0,0,0|1,0,1]=4 4196 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [1,1,0,0,0,0|1,0,1]=4 4197 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [1,1,0,0,0,0|1,0,1]=4 4198 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [1,1,0,0,0,0|1,0,1]=4 4199 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [1,1,0,0,0,0|1,0,1]=4 4200 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [1,1,0,0,0,0|1,0,1]=4 4201 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [1,1,0,0,0,0|1,0,1]=4 4202 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [1,1,0,0,0,0|1,0,1]=4 4203 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [1,1,0,0,0,0|1,0,1]=4 4204 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [1,1,0,0,0,0|1,0,1]=4 4205 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [1,1,0,0,0,0|1,0,1]=4 4206 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [1,1,0,0,0,0|1,0,1]=4 4207 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [1,1,0,0,0,0|1,0,1]=4 4208 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [1,1,0,0,0,0|1,0,1]=4 4209 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [1,1,0,0,0,0|1,0,1]=4 4210 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [1,1,0,0,0,0|1,0,1]=4 4211 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [1,1,0,0,0,0|1,0,1]=4 4212 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [1,1,0,0,0,0|1,0,1]=4 4213 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [1,1,0,0,0,0|1,0,1]=4 4214 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [1,1,0,0,0,0|1,0,1]=4 4215 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [1,1,0,0,0,0|1,0,1]=4 4216 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [1,1,0,0,0,0|1,0,1]=4 4217 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [1,1,0,0,0,0|1,0,1]=4 4218 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [1,1,0,0,0,0|1,0,1]=4 4219 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [1,1,0,0,0,0|1,0,1]=4 4220 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [1,1,0,0,0,0|1,0,1]=4 4221 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [1,1,0,0,0,0|1,0,1]=4 4222 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [1,1,0,0,0,0|1,0,1]=4 4223 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [1,1,0,0,0,0|1,0,1]=4 4224 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|0,0,1]=3 4225 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|0,0,1]=3 4226 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|0,0,1]=3 4227 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|0,0,1]=3 4228 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|0,0,1]=3 4229 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|0,0,1]=3 4230 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|0,0,1]=3 4231 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|0,0,1]=3 4232 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|0,0,1]=3 4233 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|0,0,1]=3 4234 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|0,0,1]=3 4235 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|0,0,1]=3 4236 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,1,0,0,0,0|1,0,1]=4 4237 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,1,0,0,0,0|1,0,1]=4 4238 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,1,0,0,0,0|1,0,1]=4 4239 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,1,0,0,0,0|1,0,1]=4 4240 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,1,0,0,0,0|1,0,1]=4 4241 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|1,0,1]=4 4242 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,1,0,0,0,0|1,0,1]=4 4243 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,1,0,0,0,0|1,0,1]=4 4244 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,1,0,0,0,0|1,0,1]=4 4245 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,1,0,0,0,0|1,0,1]=4 4246 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 4247 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 4248 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 4249 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,1,0,0,0,0|1,0,1]=4 4250 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 4251 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 4252 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 4253 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|1,0,1]=4 4254 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 4255 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 4256 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 4257 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,1,0,0,0,0|1,0,1]=4 4258 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 4259 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 4260 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 4261 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,1,0,0,0,0|1,0,1]=4 4262 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 4263 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 4264 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 4265 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,1,0,0,0,0|1,0,1]=4 4266 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|1,0,1]=4 4267 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|1,0,1]=4 4268 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|1,0,1]=4 4269 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [1,1,0,0,0,0|1,0,1]=4 4270 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [1,1,0,0,0,0|1,0,1]=4 4271 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [1,1,0,0,0,0|1,0,1]=4 4272 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [1,1,0,0,0,0|1,0,1]=4 4273 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [1,1,0,0,0,0|1,0,1]=4 4274 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [1,1,0,0,0,0|1,0,1]=4 4275 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [1,1,0,0,0,0|1,0,1]=4 4276 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [1,1,0,0,0,0|1,0,1]=4 4277 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [1,1,0,0,0,0|1,0,1]=4 4278 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [1,1,0,0,0,0|1,0,1]=4 4279 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [1,1,0,0,0,0|1,0,1]=4 4280 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [1,1,0,0,0,0|1,0,1]=4 4281 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [1,1,0,0,0,0|1,0,1]=4 4282 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [1,1,0,0,0,0|1,0,1]=4 4283 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [1,1,0,0,0,0|1,0,1]=4 4284 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [1,1,0,0,0,0|1,0,1]=4 4285 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [1,1,0,0,0,0|1,0,1]=4 4286 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [1,1,0,0,0,0|1,0,1]=4 4287 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [1,1,0,0,0,0|1,0,1]=4 4288 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [1,1,0,0,0,0|1,0,1]=4 4289 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [1,1,0,0,0,0|1,0,1]=4 4290 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [1,1,0,0,0,0|1,0,1]=4 4291 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [1,1,0,0,0,0|1,0,1]=4 4292 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [1,1,0,0,0,0|1,0,1]=4 4293 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [1,1,0,0,0,0|1,0,1]=4 4294 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [1,1,0,0,0,0|1,0,1]=4 4295 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [1,1,0,0,0,0|1,0,1]=4 4296 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [1,1,0,0,0,0|1,0,1]=4 4297 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [1,1,0,0,0,0|1,0,1]=4 4298 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [1,1,0,0,0,0|1,0,1]=4 4299 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [1,1,0,0,0,0|1,0,1]=4 4300 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [1,1,0,0,0,0|1,0,1]=4 4301 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [1,1,0,0,0,0|1,0,1]=4 4302 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [1,1,0,0,0,0|1,0,1]=4 4303 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [1,1,0,0,0,0|1,0,1]=4 4304 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [1,1,0,0,0,0|1,0,1]=4 4305 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [1,1,0,0,0,0|1,0,1]=4 4306 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [1,1,0,0,0,0|1,0,1]=4 4307 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [1,1,0,0,0,0|1,0,1]=4 4308 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [1,1,0,0,0,0|1,0,1]=4 4309 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [1,1,0,0,0,0|1,0,1]=4 4310 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [1,1,0,0,0,0|1,0,1]=4 4311 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [1,1,0,0,0,0|1,0,1]=4 4312 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [1,1,0,0,0,0|1,0,1]=4 4313 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [1,1,0,0,0,0|1,0,1]=4 4314 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [1,1,0,0,0,0|1,0,1]=4 4315 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [1,1,0,0,0,0|1,0,1]=4 4316 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [1,1,0,0,0,0|1,0,1]=4 4317 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [1,1,0,0,0,0|1,0,1]=4 4318 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [1,1,0,0,0,0|1,0,1]=4 4319 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [1,1,0,0,0,0|1,0,1]=4 4320 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [1,1,0,0,0,0|1,0,1]=4 4321 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [1,1,0,0,0,0|1,0,1]=4 4322 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [1,1,0,0,0,0|1,0,1]=4 4323 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [1,1,0,0,0,0|1,0,1]=4 4324 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [1,1,0,0,0,0|1,0,1]=4 4325 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [1,1,0,0,0,0|1,0,1]=4 4326 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [1,1,0,0,0,0|1,0,1]=4 4327 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [1,1,0,0,0,0|1,0,1]=4 4328 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [1,1,0,0,0,0|1,0,1]=4 4329 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [1,1,0,0,0,0|1,0,1]=4 4330 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000189115_100000210206 [1,1,0,0,0,0|1,0,1]=4 4331 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000210206_100000189115 [1,1,0,0,0,0|1,0,1]=4 4332 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [1,1,0,0,0,0|1,0,1]=4 4333 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [1,1,0,0,0,0|1,0,1]=4 4334 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000198546_100000210206 [1,1,0,0,0,0|1,0,1]=4 4335 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000210206_100000187164 [1,1,0,0,0,0|1,0,1]=4 4336 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000189116_100000210206 [1,1,0,0,0,0|1,0,1]=4 4337 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000210206_100000189116 [1,1,0,0,0,0|1,0,1]=4 4338 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [1,1,0,0,0,0|1,0,1]=4 4339 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [1,1,0,0,0,0|1,0,1]=4 4340 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [1,1,0,0,0,0|1,0,1]=4 4341 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [1,1,0,0,0,0|1,0,1]=4 4342 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [1,1,0,0,0,0|1,0,1]=4 4343 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [1,1,0,0,0,0|1,0,1]=4 4344 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [1,1,0,0,0,0|1,0,1]=4 4345 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,1,0,0,0,0|1,0,1]=4 4346 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [1,1,0,0,0,0|1,0,1]=4 4347 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [1,1,0,0,0,0|1,0,1]=4 4348 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [1,1,0,0,0,0|1,0,1]=4 4349 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [1,1,0,0,0,0|1,0,1]=4 4350 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [1,1,0,0,0,0|1,0,1]=4 4351 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [1,1,0,0,0,0|1,0,1]=4 4352 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [1,1,0,0,0,0|1,0,1]=4 4353 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [1,1,0,0,0,0|1,0,1]=4 4354 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [1,1,0,0,0,0|1,0,1]=4 4355 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [1,1,0,0,0,0|1,0,1]=4 4356 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [1,1,0,0,0,0|1,0,1]=4 4357 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [1,1,0,0,0,0|1,0,1]=4 4358 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [1,1,0,0,0,0|1,0,1]=4 4359 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [1,1,0,0,0,0|1,0,1]=4 4360 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [1,1,0,0,0,0|1,0,1]=4 4361 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [1,1,0,0,0,0|1,0,1]=4 4362 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [1,1,0,0,0,0|1,0,1]=4 4363 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [1,1,0,0,0,0|1,0,1]=4 4364 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [1,1,0,0,0,0|1,0,1]=4 4365 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [1,1,0,0,0,0|1,0,1]=4 4366 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [1,1,0,0,0,0|1,0,1]=4 4367 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [1,1,0,0,0,0|1,0,1]=4 4368 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [1,1,0,0,0,0|1,0,1]=4 4369 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [1,1,0,0,0,0|1,0,1]=4 4370 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [1,1,0,0,0,0|1,0,1]=4 4371 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [1,1,0,0,0,0|1,0,1]=4 4372 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [1,1,0,0,0,0|1,0,1]=4 4373 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [1,1,0,0,0,0|1,0,1]=4 4374 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [1,1,0,0,0,0|1,0,1]=4 4375 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [1,1,0,0,0,0|1,0,1]=4 4376 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [1,1,0,0,0,0|1,0,1]=4 4377 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [1,1,0,0,0,0|1,0,1]=4 4378 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [1,1,0,0,0,0|1,0,1]=4 4379 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [1,1,0,0,0,0|1,0,1]=4 4380 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [1,1,0,0,0,0|1,0,1]=4 4381 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [1,1,0,0,0,0|1,0,1]=4 4382 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [1,1,0,0,0,0|1,0,1]=4 4383 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [1,1,0,0,0,0|1,0,1]=4 4384 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [1,1,0,0,0,0|1,0,1]=4 4385 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [1,1,0,0,0,0|1,0,1]=4 4386 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [1,1,0,0,0,0|1,0,1]=4 4387 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [1,1,0,0,0,0|1,0,1]=4 4388 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [1,1,0,0,0,0|1,0,1]=4 4389 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [1,1,0,0,0,0|1,0,1]=4 4390 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [1,1,0,0,0,0|1,0,1]=4 4391 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [1,1,0,0,0,0|1,0,1]=4 4392 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [1,1,0,0,0,0|1,0,1]=4 4393 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [1,1,0,0,0,0|1,0,1]=4 4394 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [1,1,0,0,0,0|1,0,1]=4 4395 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [1,1,0,0,0,0|1,0,1]=4 4396 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [1,1,0,0,0,0|1,0,1]=4 4397 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [1,1,0,0,0,0|1,0,1]=4 4398 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [1,1,0,0,0,0|1,0,1]=4 4399 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [1,1,0,0,0,0|1,0,1]=4 4400 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [1,1,0,0,0,0|1,0,1]=4 4401 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,1,0,0,0,0|1,0,1]=4 4402 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [1,1,0,0,0,0|1,0,1]=4 4403 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [1,1,0,0,0,0|1,0,1]=4 4404 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [1,1,0,0,0,0|1,0,1]=4 4405 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [1,1,0,0,0,0|1,0,1]=4 4406 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [1,1,0,0,0,0|1,0,1]=4 4407 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [1,1,0,0,0,0|1,0,1]=4 4408 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [1,1,0,0,0,0|1,0,1]=4 4409 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [1,1,0,0,0,0|1,0,1]=4 4410 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [1,1,0,0,0,0|1,0,1]=4 4411 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [1,1,0,0,0,0|1,0,1]=4 4412 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [1,1,0,0,0,0|1,0,1]=4 4413 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [1,1,0,0,0,0|1,0,1]=4 4414 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [1,1,0,0,0,0|1,0,1]=4 4415 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [1,1,0,0,0,0|1,0,1]=4 4416 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [1,1,0,0,0,0|1,0,1]=4 4417 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [1,1,0,0,0,0|1,0,1]=4 4418 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [1,1,0,0,0,0|1,0,1]=4 4419 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|0,0,1]=3 4420 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [1,1,0,0,0,0|1,0,1]=4 4421 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [1,1,0,0,0,0|1,0,1]=4 4422 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [1,1,0,0,0,0|1,0,1]=4 4423 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [1,1,0,0,0,0|1,0,1]=4 4424 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [1,1,0,0,0,0|1,0,1]=4 4425 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [1,1,0,0,0,0|1,0,1]=4 4426 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [1,1,0,0,0,0|1,0,1]=4 4427 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [1,1,0,0,0,0|1,0,1]=4 4428 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [1,1,0,0,0,0|1,0,1]=4 4429 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [1,1,0,0,0,0|1,0,1]=4 4430 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [1,1,0,0,0,0|1,0,1]=4 4431 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [1,1,0,0,0,0|1,0,1]=4 4432 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [1,1,0,0,0,0|1,0,1]=4 4433 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [1,1,0,0,0,0|1,0,1]=4 4434 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [1,1,0,0,0,0|1,0,1]=4 4435 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,1,0,0,0,0|1,0,1]=4 4436 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [1,1,0,0,0,0|1,0,1]=4 4437 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [1,1,0,0,0,0|1,0,1]=4 4438 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [1,1,0,0,0,0|1,0,1]=4 4439 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [1,1,0,0,0,0|1,0,1]=4 4440 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [1,1,0,0,0,0|1,0,1]=4 4441 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [1,1,0,0,0,0|1,0,1]=4 4442 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,1,0,0,0,0|1,0,1]=4 4443 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [1,1,0,0,0,0|1,0,1]=4 4444 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [1,1,0,0,0,0|1,0,1]=4 4445 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [1,1,0,0,0,0|1,0,1]=4 4446 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [1,1,0,0,0,0|1,0,1]=4 4447 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [1,1,0,0,0,0|1,0,1]=4 4448 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [1,1,0,0,0,0|1,0,1]=4 4449 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|1,0,1]=4 4450 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|0,0,1]=3 4451 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|0,0,1]=3 4452 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|0,0,1]=3 4453 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|0,0,1]=3 4454 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|0,0,1]=3 4455 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,1,0,0,0,0|1,0,1]=4 4456 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,1,0,0,0,0|1,0,1]=4 4457 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,1,0,0,0,0|1,0,1]=4 4458 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,1,0,0,0,0|1,0,1]=4 4459 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|1,0,1]=4 4460 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,1,0,0,0,0|1,0,1]=4 4461 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,1,0,0,0,0|1,0,1]=4 4462 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,1,0,0,0,0|1,0,1]=4 4463 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [1,1,0,0,0,0|0,0,2]=4 4464 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|0,0,1]=3 4465 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|0,0,1]=3 4466 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,1,0,0,0,0|1,0,1]=4 4467 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|1,0,1]=4 4468 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|1,0,1]=4 4469 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|1,0,1]=4 4470 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|1,0,1]=4 4471 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|1,0,1]=4 4472 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 4473 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 4474 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 4475 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|1,0,1]=4 4476 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|0,0,1]=3 4477 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [1,1,0,0,0,0|0,0,2]=4 4478 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [1,1,0,0,0,0|1,0,1]=4 4479 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [1,1,0,0,0,0|1,0,1]=4 4480 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [1,1,0,0,0,0|1,0,1]=4 4481 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [1,1,0,0,0,0|1,0,1]=4 4482 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [1,1,0,0,0,0|1,0,1]=4 4483 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [1,1,0,0,0,0|1,0,1]=4 4484 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [1,1,0,0,0,0|1,0,1]=4 4485 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [1,1,0,0,0,0|1,0,1]=4 4486 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|0,0,1]=3 4487 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [1,1,0,0,0,0|1,0,1]=4 4488 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,1,0,0,0,0|1,0,1]=4 4489 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [1,1,0,0,0,0|1,0,1]=4 4490 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|1,0,1]=4 4491 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|1,0,1]=4 4492 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [1,1,0,0,0,0|0,0,2]=4 4493 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [1,1,0,0,0,0|0,0,2]=4 4494 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|0,0,1]=3 4495 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,1,0,0,0,0|0,0,2]=4 4496 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [1,1,0,0,0,0|1,0,1]=4 4497 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [1,1,0,0,0,0|1,0,1]=4 4498 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [1,1,0,0,0,0|1,0,1]=4 4499 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|0,0,2]=4 4500 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|0,0,1]=3 4501 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|0,0,1]=3 4502 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|0,0,1]=3 4503 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|0,0,1]=3 4504 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [1,1,0,0,0,0|1,0,1]=4 4505 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|0,0,1]=3 4506 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 4507 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 4508 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 4509 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,1,0,0,0,0|1,0,1]=4 4510 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [1,1,0,0,0,0|0,0,2]=4 4511 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [1,1,0,0,0,0|1,0,1]=4 4512 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [1,1,0,0,0,0|1,0,1]=4 4513 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [1,1,0,0,0,0|1,0,1]=4 4514 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,1,0,0,0,0|0,0,1]=3 4515 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [1,1,0,0,0,0|1,0,1]=4 4516 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [1,1,0,0,0,0|1,0,1]=4 4517 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [1,1,0,0,0,0|1,0,1]=4 4518 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [1,1,0,0,0,0|1,0,1]=4 4519 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [1,1,0,0,0,0|1,0,1]=4 4520 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [1,1,0,0,0,0|1,0,1]=4 4521 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [1,1,0,0,0,0|1,0,1]=4 4522 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [1,1,0,0,0,0|1,0,1]=4 4523 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [1,1,0,0,0,0|1,0,1]=4 4524 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [1,1,0,0,0,0|1,0,1]=4 4525 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [1,1,0,0,0,0|1,0,1]=4 4526 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|0,0,1]=3 4527 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [1,1,0,0,0,0|1,0,1]=4 4528 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [1,1,0,0,0,0|1,0,1]=4 4529 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [1,1,0,0,0,0|1,0,1]=4 4530 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [1,1,0,0,0,0|0,0,2]=4 4531 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [1,1,0,0,0,0|1,0,1]=4 4532 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [1,1,0,0,0,0|1,0,1]=4 4533 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [1,1,0,0,0,0|1,0,1]=4 4534 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [1,1,0,0,0,0|1,0,1]=4 4535 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [1,1,0,0,0,0|1,0,1]=4 4536 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [1,1,0,0,0,0|1,0,1]=4 4537 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [1,1,0,0,0,0|1,0,1]=4 4538 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [1,1,0,0,0,0|1,0,1]=4 4539 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [1,1,0,0,0,0|1,0,1]=4 4540 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [1,1,0,0,0,0|1,0,1]=4 4541 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [1,1,0,0,0,0|1,0,1]=4 4542 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [1,1,0,0,0,0|1,0,1]=4 4543 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [1,1,0,0,0,0|1,0,1]=4 4544 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|0,0,1]=3 4545 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [1,1,0,0,0,0|1,0,1]=4 4546 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [1,1,0,0,0,0|1,0,1]=4 4547 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [1,1,0,0,0,0|1,0,1]=4 4548 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [1,1,0,0,0,0|1,0,1]=4 4549 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [1,1,0,0,0,0|1,0,1]=4 4550 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [1,1,0,0,0,0|1,0,1]=4 4551 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [1,1,0,0,0,0|1,0,1]=4 4552 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [1,1,0,0,0,0|1,0,1]=4 4553 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [1,1,0,0,0,0|1,0,1]=4 4554 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [1,1,0,0,0,0|1,0,1]=4 4555 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [1,1,0,0,0,0|1,0,1]=4 4556 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [1,1,0,0,0,0|1,0,1]=4 4557 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [1,1,0,0,0,0|1,0,1]=4 4558 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [1,1,0,0,0,0|1,0,1]=4 4559 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [1,1,0,0,0,0|1,0,1]=4 4560 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [1,1,0,0,0,0|1,0,1]=4 4561 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [1,1,0,0,0,0|1,0,1]=4 4562 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [1,1,0,0,0,0|1,0,1]=4 4563 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [1,1,0,0,0,0|1,0,1]=4 4564 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [1,1,0,0,0,0|1,0,1]=4 4565 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [1,1,0,0,0,0|1,0,1]=4 4566 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [1,1,0,0,0,0|1,0,1]=4 4567 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [1,1,0,0,0,0|1,0,1]=4 4568 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [1,1,0,0,0,0|1,0,1]=4 4569 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [1,1,0,0,0,0|1,0,1]=4 4570 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [1,1,0,0,0,0|1,0,1]=4 4571 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [1,1,0,0,0,0|1,0,1]=4 4572 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [1,1,0,0,0,0|1,0,1]=4 4573 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [1,1,0,0,0,0|1,0,1]=4 4574 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [1,1,0,0,0,0|1,0,1]=4 4575 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,1,0,0,0,0|0,0,1]=3 4576 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,1,0,0,0,0|0,0,1]=3 4577 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|0,0,1]=3 4578 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|0,0,1]=3 4579 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,1,0,0,0,0|0,0,1]=3 4580 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,1,0,0,0,0|0,0,1]=3 4581 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,1,0,0,0,0|0,0,1]=3 4582 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,1,0,0,0,0|0,0,1]=3 4583 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,1,0,0,0,0|0,0,1]=3 4584 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|0,0,1]=3 4585 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|0,0,1]=3 4586 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [1,1,0,0,0,0|1,0,1]=4 4587 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [1,1,0,0,0,0|1,0,1]=4 4588 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,1,0,0,0,0|1,0,1]=4 4589 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [1,1,0,0,0,0|1,0,1]=4 4590 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [1,1,0,0,0,0|1,0,1]=4 4591 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,1,0,0,0,0|1,0,1]=4 4592 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,1,0,0,0,0|1,0,1]=4 4593 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [1,1,0,0,0,0|1,0,1]=4 4594 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,1,0,0,0,0|1,0,1]=4 4595 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 4596 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 4597 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 4598 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [1,1,0,0,0,0|1,0,1]=4 4599 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 4600 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 4601 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 4602 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|1,0,1]=4 4603 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 4604 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 4605 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 4606 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [1,1,0,0,0,0|1,0,1]=4 4607 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 4608 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 4609 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 4610 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [1,1,0,0,0,0|1,0,1]=4 4611 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 4612 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 4613 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 4614 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [1,1,0,0,0,0|1,0,1]=4 4615 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|1,0,1]=4 4616 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|1,0,1]=4 4617 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|1,0,1]=4 4618 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [1,1,0,0,0,0|1,0,1]=4 4619 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [1,1,0,0,0,0|1,0,1]=4 4620 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [1,1,0,0,0,0|1,0,1]=4 4621 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [1,1,0,0,0,0|1,0,1]=4 4622 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [1,1,0,0,0,0|1,0,1]=4 4623 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [1,1,0,0,0,0|1,0,1]=4 4624 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [1,1,0,0,0,0|1,0,1]=4 4625 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [1,1,0,0,0,0|1,0,1]=4 4626 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [1,1,0,0,0,0|1,0,1]=4 4627 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [1,1,0,0,0,0|1,0,1]=4 4628 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [1,1,0,0,0,0|1,0,1]=4 4629 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [1,1,0,0,0,0|1,0,1]=4 4630 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [1,1,0,0,0,0|1,0,1]=4 4631 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [1,1,0,0,0,0|1,0,1]=4 4632 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [1,1,0,0,0,0|1,0,1]=4 4633 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [1,1,0,0,0,0|1,0,1]=4 4634 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [1,1,0,0,0,0|1,0,1]=4 4635 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [1,1,0,0,0,0|1,0,1]=4 4636 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [1,1,0,0,0,0|1,0,1]=4 4637 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [1,1,0,0,0,0|1,0,1]=4 4638 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [1,1,0,0,0,0|1,0,1]=4 4639 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [1,1,0,0,0,0|1,0,1]=4 4640 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [1,1,0,0,0,0|1,0,1]=4 4641 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [1,1,0,0,0,0|1,0,1]=4 4642 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [1,1,0,0,0,0|1,0,1]=4 4643 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [1,1,0,0,0,0|1,0,1]=4 4644 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [1,1,0,0,0,0|1,0,1]=4 4645 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [1,1,0,0,0,0|1,0,1]=4 4646 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [1,1,0,0,0,0|1,0,1]=4 4647 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [1,1,0,0,0,0|1,0,1]=4 4648 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [1,1,0,0,0,0|1,0,1]=4 4649 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [1,1,0,0,0,0|1,0,1]=4 4650 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [1,1,0,0,0,0|1,0,1]=4 4651 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [1,1,0,0,0,0|1,0,1]=4 4652 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [1,1,0,0,0,0|1,0,1]=4 4653 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [1,1,0,0,0,0|1,0,1]=4 4654 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [1,1,0,0,0,0|1,0,1]=4 4655 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [1,1,0,0,0,0|1,0,1]=4 4656 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [1,1,0,0,0,0|1,0,1]=4 4657 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [1,1,0,0,0,0|1,0,1]=4 4658 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [1,1,0,0,0,0|1,0,1]=4 4659 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [1,1,0,0,0,0|1,0,1]=4 4660 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [1,1,0,0,0,0|1,0,1]=4 4661 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [1,1,0,0,0,0|1,0,1]=4 4662 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [1,1,0,0,0,0|1,0,1]=4 4663 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [1,1,0,0,0,0|1,0,1]=4 4664 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [1,1,0,0,0,0|1,0,1]=4 4665 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [1,1,0,0,0,0|1,0,1]=4 4666 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [1,1,0,0,0,0|1,0,1]=4 4667 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [1,1,0,0,0,0|1,0,1]=4 4668 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [1,1,0,0,0,0|1,0,1]=4 4669 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [1,1,0,0,0,0|1,0,1]=4 4670 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [1,1,0,0,0,0|1,0,1]=4 4671 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [1,1,0,0,0,0|1,0,1]=4 4672 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [1,1,0,0,0,0|1,0,1]=4 4673 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [1,1,0,0,0,0|1,0,1]=4 4674 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [1,1,0,0,0,0|1,0,1]=4 4675 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [1,1,0,0,0,0|1,0,1]=4 4676 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [1,1,0,0,0,0|1,0,1]=4 4677 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [1,1,0,0,0,0|1,0,1]=4 4678 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [1,1,0,0,0,0|1,0,1]=4 4679 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [1,1,0,0,0,0|1,0,1]=4 4680 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [1,1,0,0,0,0|1,0,1]=4 4681 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [1,1,0,0,0,0|1,0,1]=4 4682 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [1,1,0,0,0,0|1,0,1]=4 4683 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [1,1,0,0,0,0|1,0,1]=4 4684 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [1,1,0,0,0,0|1,0,1]=4 4685 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [1,1,0,0,0,0|1,0,1]=4 4686 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [1,1,0,0,0,0|1,0,1]=4 4687 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [1,1,0,0,0,0|1,0,1]=4 4688 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [1,1,0,0,0,0|1,0,1]=4 4689 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [1,1,0,0,0,0|1,0,1]=4 4690 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [1,1,0,0,0,0|1,0,1]=4 4691 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [1,1,0,0,0,0|1,0,1]=4 4692 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [1,1,0,0,0,0|1,0,1]=4 4693 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [1,1,0,0,0,0|1,0,1]=4 4694 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [1,1,0,0,0,0|1,0,1]=4 4695 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [1,1,0,0,0,0|1,0,1]=4 4696 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [1,1,0,0,0,0|1,0,1]=4 4697 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [1,1,0,0,0,0|1,0,1]=4 4698 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [1,1,0,0,0,0|1,0,1]=4 4699 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [1,1,0,0,0,0|1,0,1]=4 4700 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [1,1,0,0,0,0|1,0,1]=4 4701 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [1,1,0,0,0,0|1,0,1]=4 4702 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [1,1,0,0,0,0|1,0,1]=4 4703 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [1,1,0,0,0,0|1,0,1]=4 4704 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [1,1,0,0,0,0|1,0,1]=4 4705 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [1,1,0,0,0,0|1,0,1]=4 4706 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [1,1,0,0,0,0|1,0,1]=4 4707 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [1,1,0,0,0,0|1,0,1]=4 4708 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [1,1,0,0,0,0|1,0,1]=4 4709 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [1,1,0,0,0,0|1,0,1]=4 4710 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [1,1,0,0,0,0|1,0,1]=4 4711 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [1,1,0,0,0,0|1,0,1]=4 4712 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [1,1,0,0,0,0|1,0,1]=4 4713 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [1,1,0,0,0,0|1,0,1]=4 4714 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [1,1,0,0,0,0|1,0,1]=4 4715 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [1,1,0,0,0,0|1,0,1]=4 4716 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [1,1,0,0,0,0|1,0,1]=4 4717 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [1,1,0,0,0,0|1,0,1]=4 4718 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [1,1,0,0,0,0|1,0,1]=4 4719 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [1,1,0,0,0,0|1,0,1]=4 4720 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [1,1,0,0,0,0|1,0,1]=4 4721 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [1,1,0,0,0,0|1,0,1]=4 4722 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [1,1,0,0,0,0|1,0,1]=4 4723 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [1,1,0,0,0,0|1,0,1]=4 4724 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [1,1,0,0,0,0|1,0,1]=4 4725 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [1,1,0,0,0,0|1,0,1]=4 4726 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [1,1,0,0,0,0|1,0,1]=4 4727 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [1,1,0,0,0,0|1,0,1]=4 4728 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [1,1,0,0,0,0|1,0,1]=4 4729 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [1,1,0,0,0,0|1,0,1]=4 4730 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [1,1,0,0,0,0|1,0,1]=4 4731 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [1,1,0,0,0,0|1,0,1]=4 4732 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [1,1,0,0,0,0|1,0,1]=4 4733 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [1,1,0,0,0,0|1,0,1]=4 4734 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [1,1,0,0,0,0|1,0,1]=4 4735 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [1,1,0,0,0,0|1,0,1]=4 4736 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [1,1,0,0,0,0|1,0,1]=4 4737 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [1,1,0,0,0,0|1,0,1]=4 4738 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [1,1,0,0,0,0|1,0,1]=4 4739 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [1,1,0,0,0,0|1,0,1]=4 4740 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [1,1,0,0,0,0|1,0,1]=4 4741 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [1,1,0,0,0,0|1,0,1]=4 4742 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [1,1,0,0,0,0|1,0,1]=4 4743 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [1,1,0,0,0,0|1,0,1]=4 4744 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [1,1,0,0,0,0|1,0,1]=4 4745 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [1,1,0,0,0,0|1,0,1]=4 4746 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [1,1,0,0,0,0|1,0,1]=4 4747 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [1,1,0,0,0,0|1,0,1]=4 4748 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|0,0,1]=3 4749 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [1,1,0,0,0,0|1,0,1]=4 4750 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [1,1,0,0,0,0|1,0,1]=4 4751 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [1,1,0,0,0,0|1,0,1]=4 4752 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [1,1,0,0,0,0|1,0,1]=4 4753 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [1,1,0,0,0,0|1,0,1]=4 4754 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [1,1,0,0,0,0|1,0,1]=4 4755 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [1,1,0,0,0,0|1,0,1]=4 4756 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [1,1,0,0,0,0|1,0,1]=4 4757 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [1,1,0,0,0,0|1,0,1]=4 4758 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [1,1,0,0,0,0|1,0,1]=4 4759 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [1,1,0,0,0,0|1,0,1]=4 4760 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [1,1,0,0,0,0|1,0,1]=4 4761 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [1,1,0,0,0,0|1,0,1]=4 4762 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [1,1,0,0,0,0|1,0,1]=4 4763 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,1,0,0,0,0|1,0,1]=4 4764 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [1,1,0,0,0,0|1,0,1]=4 4765 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [1,1,0,0,0,0|1,0,1]=4 4766 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [1,1,0,0,0,0|1,0,1]=4 4767 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [1,1,0,0,0,0|1,0,1]=4 4768 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [1,1,0,0,0,0|1,0,1]=4 4769 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [1,1,0,0,0,0|1,0,1]=4 4770 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,1,0,0,0,0|1,0,1]=4 4771 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [1,1,0,0,0,0|1,0,1]=4 4772 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [1,1,0,0,0,0|1,0,1]=4 4773 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [1,1,0,0,0,0|1,0,1]=4 4774 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [1,1,0,0,0,0|1,0,1]=4 4775 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [1,1,0,0,0,0|1,0,1]=4 4776 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [1,1,0,0,0,0|1,0,1]=4 4777 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,1,0,0,0,0|1,0,1]=4 4778 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,1,0,0,0,0|0,0,1]=3 4779 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,1,0,0,0,0|0,0,1]=3 4780 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,1,0,0,0,0|0,0,1]=3 4781 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,1,0,0,0,0|0,0,1]=3 4782 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|0,0,1]=3 4783 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [1,1,0,0,0,0|1,0,1]=4 4784 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [1,1,0,0,0,0|1,0,1]=4 4785 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [1,1,0,0,0,0|1,0,1]=4 4786 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [1,1,0,0,0,0|1,0,1]=4 4787 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,1,0,0,0,0|1,0,1]=4 4788 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [1,1,0,0,0,0|1,0,1]=4 4789 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,1,0,0,0,0|1,0,1]=4 4790 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [1,1,0,0,0,0|1,0,1]=4 4791 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [1,1,0,0,0,0|1,0,1]=4 4792 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [1,1,0,0,0,0|1,0,1]=4 4793 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [1,1,0,0,0,0|1,0,1]=4 4794 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [1,1,0,0,0,0|1,0,1]=4 4795 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [1,1,0,0,0,0|1,0,1]=4 4796 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [1,1,0,0,0,0|1,0,1]=4 4797 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [1,1,0,0,0,0|1,0,1]=4 4798 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [1,1,0,0,0,0|1,0,1]=4 4799 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [1,1,0,0,0,0|1,0,1]=4 4800 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [1,1,0,0,0,0|1,0,1]=4 4801 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [1,1,0,0,0,0|1,0,1]=4 4802 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [1,1,0,0,0,0|1,0,1]=4 4803 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [1,1,0,0,0,0|1,0,1]=4 4804 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [1,1,0,0,0,0|1,0,1]=4 4805 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [1,1,0,0,0,0|1,0,1]=4 4806 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [1,1,0,0,0,0|1,0,1]=4 4807 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [1,1,0,0,0,0|1,0,1]=4 4808 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [1,1,0,0,0,0|1,0,1]=4 4809 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [1,1,0,0,0,0|1,0,1]=4 4810 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [1,1,0,0,0,0|1,0,1]=4 4811 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [1,1,0,0,0,0|1,0,1]=4 4812 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [1,1,0,0,0,0|1,0,1]=4 4813 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [1,1,0,0,0,0|1,0,1]=4 4814 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [1,1,0,0,0,0|1,0,1]=4 4815 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [1,1,0,0,0,0|1,0,1]=4 4816 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [1,1,0,0,0,0|1,0,1]=4 4817 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [1,1,0,0,0,0|1,0,1]=4 4818 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [1,1,0,0,0,0|1,0,1]=4 4819 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [1,1,0,0,0,0|1,0,1]=4 4820 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [1,1,0,0,0,0|1,0,1]=4 4821 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|0,0,1]=3 4822 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|0,0,1]=3 4823 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|0,0,1]=3 4824 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|0,0,1]=3 4825 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|0,0,1]=3 4826 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|0,0,1]=3 4827 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|0,0,1]=3 4828 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|0,0,1]=3 4829 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|0,0,1]=3 4830 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|0,0,1]=3 4831 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|0,0,1]=3 4832 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,1,0,0,0,0|1,0,1]=4 4833 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,1,0,0,0,0|1,0,1]=4 4834 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,1,0,0,0,0|1,0,1]=4 4835 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,1,0,0,0,0|1,0,1]=4 4836 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,1,0,0,0,0|1,0,1]=4 4837 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 4838 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 4839 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 4840 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,1,0,0,0,0|1,0,1]=4 4841 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 4842 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 4843 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 4844 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,1,0,0,0,0|1,0,1]=4 4845 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 4846 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 4847 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 4848 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,1,0,0,0,0|1,0,1]=4 4849 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 4850 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 4851 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 4852 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,1,0,0,0,0|1,0,1]=4 4853 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 4854 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 4855 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 4856 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,1,0,0,0,0|1,0,1]=4 4857 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|1,0,1]=4 4858 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|1,0,1]=4 4859 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|1,0,1]=4 4860 B12R1.226 CC(C)CNc1cccc(c1)Br 34a_100000210019_100000210624 [1,1,0,0,0,0|1,0,1]=4 4861 B12R1.226 CC(C)CNc1cccc(c1)Cl 34a_100000185859_100000210624 [1,1,0,0,0,0|1,0,1]=4 4862 B12R1.226 CC(C)CNc1cccc(c1)F 34a_100000210047_100000210624 [1,1,0,0,0,0|1,0,1]=4 4863 B12R1.226 CC(C)CNc1cccc(c1)I 34a_100000211102_100000210624 [1,1,0,0,0,0|1,0,1]=4 4864 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [1,1,0,0,0,0|1,0,1]=4 4865 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [1,1,0,0,0,0|1,0,1]=4 4866 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [1,1,0,0,0,0|1,0,1]=4 4867 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [1,1,0,0,0,0|1,0,1]=4 4868 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [1,1,0,0,0,0|1,0,1]=4 4869 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [1,1,0,0,0,0|1,0,1]=4 4870 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [1,1,0,0,0,0|1,0,1]=4 4871 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [1,1,0,0,0,0|1,0,1]=4 4872 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [1,1,0,0,0,0|1,0,1]=4 4873 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [1,1,0,0,0,0|1,0,1]=4 4874 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [1,1,0,0,0,0|1,0,1]=4 4875 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000210624_100000691529 [1,1,0,0,0,0|1,0,1]=4 4876 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000691529_100000210760 [1,1,0,0,0,0|1,0,1]=4 4877 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000210624_100000699651 [1,1,0,0,0,0|1,0,1]=4 4878 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000699651_100000210760 [1,1,0,0,0,0|1,0,1]=4 4879 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000210624_100000685547 [1,1,0,0,0,0|1,0,1]=4 4880 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000685547_100000210760 [1,1,0,0,0,0|1,0,1]=4 4881 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210019_100000210760 [1,1,0,0,0,0|1,0,1]=4 4882 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210624_100000210019 [1,1,0,0,0,0|1,0,1]=4 4883 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [1,1,0,0,0,0|1,0,1]=4 4884 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_100000210624_114929384022 [1,1,0,0,0,0|1,0,1]=4 4885 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_114929384022_100000210760 [1,1,0,0,0,0|1,0,1]=4 4886 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [1,1,0,0,0,0|1,0,1]=4 4887 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [1,1,0,0,0,0|1,0,1]=4 4888 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [1,1,0,0,0,0|1,0,1]=4 4889 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [1,1,0,0,0,0|1,0,1]=4 4890 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [1,1,0,0,0,0|1,0,1]=4 4891 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [1,1,0,0,0,0|1,0,1]=4 4892 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [1,1,0,0,0,0|1,0,1]=4 4893 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [1,1,0,0,0,0|1,0,1]=4 4894 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [1,1,0,0,0,0|1,0,1]=4 4895 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [1,1,0,0,0,0|1,0,1]=4 4896 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [1,1,0,0,0,0|1,0,1]=4 4897 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [1,1,0,0,0,0|1,0,1]=4 4898 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [1,1,0,0,0,0|1,0,1]=4 4899 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [1,1,0,0,0,0|1,0,1]=4 4900 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [1,1,0,0,0,0|1,0,1]=4 4901 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [1,1,0,0,0,0|1,0,1]=4 4902 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [1,1,0,0,0,0|1,0,1]=4 4903 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [1,1,0,0,0,0|1,0,1]=4 4904 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [1,1,0,0,0,0|1,0,1]=4 4905 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [1,1,0,0,0,0|1,0,1]=4 4906 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [1,1,0,0,0,0|1,0,1]=4 4907 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [1,1,0,0,0,0|1,0,1]=4 4908 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [1,1,0,0,0,0|1,0,1]=4 4909 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [1,1,0,0,0,0|1,0,1]=4 4910 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [1,1,0,0,0,0|1,0,1]=4 4911 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [1,1,0,0,0,0|1,0,1]=4 4912 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [1,1,0,0,0,0|1,0,1]=4 4913 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [1,1,0,0,0,0|1,0,1]=4 4914 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [1,1,0,0,0,0|1,0,1]=4 4915 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [1,1,0,0,0,0|1,0,1]=4 4916 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [1,1,0,0,0,0|1,0,1]=4 4917 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [1,1,0,0,0,0|1,0,1]=4 4918 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [1,1,0,0,0,0|1,0,1]=4 4919 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [1,1,0,0,0,0|1,0,1]=4 4920 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [1,1,0,0,0,0|1,0,1]=4 4921 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [1,1,0,0,0,0|1,0,1]=4 4922 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [1,1,0,0,0,0|1,0,1]=4 4923 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [1,1,0,0,0,0|1,0,1]=4 4924 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [1,1,0,0,0,0|1,0,1]=4 4925 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [1,1,0,0,0,0|1,0,1]=4 4926 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000210206_100000211773 [1,1,0,0,0,0|1,0,1]=4 4927 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000211773_100000210206 [1,1,0,0,0,0|1,0,1]=4 4928 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000187163_100000210206 [1,1,0,0,0,0|1,0,1]=4 4929 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000210206_100000187163 [1,1,0,0,0,0|1,0,1]=4 4930 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000210206_100000230114 [1,1,0,0,0,0|1,0,1]=4 4931 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000230114_100000210206 [1,1,0,0,0,0|1,0,1]=4 4932 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100000210206_100011218688 [1,1,0,0,0,0|1,0,1]=4 4933 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100011218688_100000210206 [1,1,0,0,0,0|1,0,1]=4 4934 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [1,1,0,0,0,0|1,0,1]=4 4935 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [1,1,0,0,0,0|1,0,1]=4 4936 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [1,1,0,0,0,0|1,0,1]=4 4937 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [1,1,0,0,0,0|1,0,1]=4 4938 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [1,1,0,0,0,0|1,0,1]=4 4939 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [1,1,0,0,0,0|1,0,1]=4 4940 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [1,1,0,0,0,0|1,0,1]=4 4941 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [1,1,0,0,0,0|1,0,1]=4 4942 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [1,1,0,0,0,0|1,0,1]=4 4943 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [1,1,0,0,0,0|1,0,1]=4 4944 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [1,1,0,0,0,0|1,0,1]=4 4945 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [1,1,0,0,0,0|1,0,1]=4 4946 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [1,1,0,0,0,0|1,0,1]=4 4947 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [1,1,0,0,0,0|1,0,1]=4 4948 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [1,1,0,0,0,0|1,0,1]=4 4949 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [1,1,0,0,0,0|1,0,1]=4 4950 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [1,1,0,0,0,0|1,0,1]=4 4951 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [1,1,0,0,0,0|1,0,1]=4 4952 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [1,1,0,0,0,0|1,0,1]=4 4953 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [1,1,0,0,0,0|1,0,1]=4 4954 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [1,1,0,0,0,0|1,0,1]=4 4955 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [1,1,0,0,0,0|1,0,1]=4 4956 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [1,1,0,0,0,0|1,0,1]=4 4957 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [1,1,0,0,0,0|1,0,1]=4 4958 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [1,1,0,0,0,0|1,0,1]=4 4959 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [1,1,0,0,0,0|1,0,1]=4 4960 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [1,1,0,0,0,0|1,0,1]=4 4961 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [1,1,0,0,0,0|1,0,1]=4 4962 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [1,1,0,0,0,0|1,0,1]=4 4963 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [1,1,0,0,0,0|1,0,1]=4 4964 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [1,1,0,0,0,0|1,0,1]=4 4965 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [1,1,0,0,0,0|1,0,1]=4 4966 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [1,1,0,0,0,0|1,0,1]=4 4967 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [1,1,0,0,0,0|1,0,1]=4 4968 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [1,1,0,0,0,0|1,0,1]=4 4969 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [1,1,0,0,0,0|1,0,1]=4 4970 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [1,1,0,0,0,0|1,0,1]=4 4971 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [1,1,0,0,0,0|1,0,1]=4 4972 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [1,1,0,0,0,0|1,0,1]=4 4973 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [1,1,0,0,0,0|1,0,1]=4 4974 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [1,1,0,0,0,0|1,0,1]=4 4975 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [1,1,0,0,0,0|1,0,1]=4 4976 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [1,1,0,0,0,0|1,0,1]=4 4977 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [1,1,0,0,0,0|1,0,1]=4 4978 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [1,1,0,0,0,0|1,0,1]=4 4979 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [1,1,0,0,0,0|1,0,1]=4 4980 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [1,1,0,0,0,0|1,0,1]=4 4981 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [1,1,0,0,0,0|1,0,1]=4 4982 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [1,1,0,0,0,0|1,0,1]=4 4983 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [1,1,0,0,0,0|1,0,1]=4 4984 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [1,1,0,0,0,0|1,0,1]=4 4985 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [1,1,0,0,0,0|1,0,1]=4 4986 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [1,1,0,0,0,0|1,0,1]=4 4987 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [1,1,0,0,0,0|1,0,1]=4 4988 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [1,1,0,0,0,0|1,0,1]=4 4989 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [1,1,0,0,0,0|1,0,1]=4 4990 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [1,1,0,0,0,0|1,0,1]=4 4991 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [1,1,0,0,0,0|1,0,1]=4 4992 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [1,1,0,0,0,0|1,0,1]=4 4993 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [1,1,0,0,0,0|1,0,1]=4 4994 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [1,1,0,0,0,0|1,0,1]=4 4995 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [1,1,0,0,0,0|1,0,1]=4 4996 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [1,1,0,0,0,0|1,0,1]=4 4997 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [1,1,0,0,0,0|1,0,1]=4 4998 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [1,1,0,0,0,0|1,0,1]=4 4999 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [1,1,0,0,0,0|1,0,1]=4 5000 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [1,1,0,0,0,0|1,0,1]=4 5001 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [1,1,0,0,0,0|1,0,1]=4 5002 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [1,1,0,0,0,0|1,0,1]=4 5003 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [1,1,0,0,0,0|1,0,1]=4 5004 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|0,0,1]=3 5005 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [1,1,0,0,0,0|1,0,1]=4 5006 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [1,1,0,0,0,0|1,0,1]=4 5007 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [1,1,0,0,0,0|1,0,1]=4 5008 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [1,1,0,0,0,0|1,0,1]=4 5009 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [1,1,0,0,0,0|1,0,1]=4 5010 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [1,1,0,0,0,0|1,0,1]=4 5011 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [1,1,0,0,0,0|1,0,1]=4 5012 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [1,1,0,0,0,0|1,0,1]=4 5013 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [1,1,0,0,0,0|1,0,1]=4 5014 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [1,1,0,0,0,0|1,0,1]=4 5015 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [1,1,0,0,0,0|1,0,1]=4 5016 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [1,1,0,0,0,0|1,0,1]=4 5017 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [1,1,0,0,0,0|1,0,1]=4 5018 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [1,1,0,0,0,0|1,0,1]=4 5019 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [1,1,0,0,0,0|1,0,1]=4 5020 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [1,1,0,0,0,0|1,0,1]=4 5021 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [1,1,0,0,0,0|1,0,1]=4 5022 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [1,1,0,0,0,0|1,0,1]=4 5023 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [1,1,0,0,0,0|1,0,1]=4 5024 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [1,1,0,0,0,0|1,0,1]=4 5025 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [1,1,0,0,0,0|1,0,1]=4 5026 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [1,1,0,0,0,0|1,0,1]=4 5027 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [1,1,0,0,0,0|1,0,1]=4 5028 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [1,1,0,0,0,0|1,0,1]=4 5029 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,1,0,0,0,0|1,0,1]=4 5030 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [1,1,0,0,0,0|1,0,1]=4 5031 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [1,1,0,0,0,0|1,0,1]=4 5032 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [1,1,0,0,0,0|1,0,1]=4 5033 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [1,1,0,0,0,0|1,0,1]=4 5034 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [1,1,0,0,0,0|1,0,1]=4 5035 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [1,1,0,0,0,0|1,0,1]=4 5036 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [1,1,0,0,0,0|1,0,1]=4 5037 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [1,1,0,0,0,0|1,0,1]=4 5038 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [1,1,0,0,0,0|1,0,1]=4 5039 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [1,1,0,0,0,0|1,0,1]=4 5040 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [1,1,0,0,0,0|1,0,1]=4 5041 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [1,1,0,0,0,0|1,0,1]=4 5042 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,1,0,0,0,0|1,0,1]=4 5043 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|0,0,1]=3 5044 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|0,0,1]=3 5045 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|0,0,1]=3 5046 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|0,0,1]=3 5047 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|0,0,1]=3 5048 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,1,0,0,0,0|1,0,1]=4 5049 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,1,0,0,0,0|1,0,1]=4 5050 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,1,0,0,0,0|1,0,1]=4 5051 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,1,0,0,0,0|1,0,1]=4 5052 B12R1.891 CC(C)(C)CNc1ccccc1 34a_100000106764_100011219605 [1,1,0,0,0,0|1,0,1]=4 5053 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [1,1,0,0,0,0|1,0,1]=4 5054 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100000719477_100011219605 [1,1,0,0,0,0|1,0,1]=4 5055 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100011219605_100000041952 [1,1,0,0,0,0|1,0,1]=4 5056 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [1,1,0,0,0,0|1,0,1]=4 5057 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [1,1,0,0,0,0|1,0,1]=4 5058 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [1,1,0,0,0,0|1,0,1]=4 5059 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [1,1,0,0,0,0|1,0,1]=4 5060 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [1,1,0,0,0,0|1,0,1]=4 5061 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [1,1,0,0,0,0|1,0,1]=4 5062 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211182_100000211941 [1,1,0,0,0,0|1,0,1]=4 5063 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211941_100015291786 [1,1,0,0,0,0|1,0,1]=4 5064 B12R1.891 CC(C)(F)CNc1ccccc1 34a_100000106764_100011997219 [1,1,0,0,0,0|1,0,1]=4 5065 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [1,1,0,0,0,0|1,0,1]=4 5066 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100000719477_100011997219 [1,1,0,0,0,0|1,0,1]=4 5067 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100011997219_100000041952 [1,1,0,0,0,0|1,0,1]=4 5068 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [1,1,0,0,0,0|1,0,1]=4 5069 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [1,1,0,0,0,0|1,0,1]=4 5070 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [1,1,0,0,0,0|1,0,1]=4 5071 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [1,1,0,0,0,0|1,0,1]=4 5072 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [1,1,0,0,0,0|1,0,1]=4 5073 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [1,1,0,0,0,0|2,0,0]=4 5074 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,1,0|2,0,0]=4 5075 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,1,0,0,1,0|2,0,0]=4 5076 B12R1.264 CC(=O)C(C)NCc1ccoc1 2230a_100015206860_100009814033 [0,1,0,0,1,0|2,0,0]=4 5077 B12R1.264 CC(=O)C(C)NCc1ccsc1 2230a_100000186416_100009814033 [0,1,0,0,1,0|2,0,0]=4 5078 B12R1.264 CC(=O)C(C)OCc1ccsc1 34a_100000212229_100011261437 [0,1,0,0,1,0|2,0,0]=4 5079 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100009814033_100011233845 [0,1,0,0,1,0|2,0,0]=4 5080 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100011261437_100009814033 [0,1,0,0,1,0|2,0,0]=4 5081 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,1,0,0,1,0|2,0,0]=4 5082 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,1,0,0,1,0|2,0,0]=4 5083 B12R1.264 CC(NCc1cccs1)C(=O)N 2230a_100000211653_100000702099 [0,1,0,0,1,0|2,0,0]=4 5084 B12R1.264 CC(NCc1ccoc1)C(=O)N 2230a_100015206860_100000702099 [0,1,0,0,1,0|2,0,0]=4 5085 B12R1.264 CC(NCc1ccoc1)C(=O)N 34a_100015206860_100000702099 [0,1,0,0,1,0|2,0,0]=4 5086 B12R1.264 CC(NCc1ccsc1)C(=O)N 2230a_100000186416_100000702099 [0,1,0,0,1,0|2,0,0]=4 5087 B12R1.264 CC(NCc1ccsc1)C(=O)N 34a_100000186416_100000702099 [0,1,0,0,1,0|2,0,0]=4 5088 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,1,0,0,1,0|2,0,0]=4 5089 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,1,0,0,1,0|2,0,0]=4 5090 B12R1.264 CC(OCc1ccoc1)C(=O)N 34a_100011215357_100000702099 [0,1,0,0,1,0|2,0,0]=4 5091 B12R1.264 CC(OCc1ccsc1)C(=O)N 34a_100011215551_100000702099 [0,1,0,0,1,0|2,0,0]=4 5092 B12R1.264 CC(SCc1ccsc1)C(=O)N 62a_100000702099_100011233845 [0,1,0,0,1,0|2,0,0]=4 5093 B12R1.264 CC(SCc1ccsc1)C(=O)N 62a_100011261437_100000702099 [0,1,0,0,1,0|2,0,0]=4 5094 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,1,0,0,1,0|2,0,0]=4 5095 B12R1.264 C[C@@H](NCc1cccs1)C(=O)N 270004a_100000119354_100000209959 [0,1,0,0,1,0|2,0,0]=4 5096 B12R1.264 C[C@@H](NCc1ccoc1)C(=O)N 270004a_100000119354_100011215517 [0,1,0,0,1,0|2,0,0]=4 5097 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)N 2230a_100000119354_100011261437 [0,1,0,0,1,0|2,0,0]=4 5098 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)N 270004a_100000119354_100000188534 [0,1,0,0,1,0|2,0,0]=4 5099 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)N 34a_100000119354_100011261437 [0,1,0,0,1,0|2,0,0]=4 5100 B12R1.264 C[C@@H](OCc1ccsc1)C(=O)N 34a_100000731257_100011261437 [0,1,0,0,1,0|2,0,0]=4 5101 B12R1.264 C[C@@H](OCc1ccsc1)C(=O)N 7a_100000731257_100011261437 [0,1,0,0,1,0|2,0,0]=4 5102 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,1,0,0,1,0|2,0,0]=4 5103 B12R1.264 C[C@H](OCc1ccsc1)C(=O)[O-] 7a_217856618621_100011261437 [0,1,0,0,1,0|2,0,0]=4 5104 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,1,0|2,0,0]=4 5105 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,1,0|2,0,0]=4 5106 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,1,0|2,0,0]=4 5107 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,1,0,0,1,0|2,0,0]=4 5108 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,1,0,0,1,0|2,0,0]=4 5109 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,1,0,0,1,0|2,0,0]=4 5110 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,1,0,0,1,0|2,0,0]=4 5111 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,1,0,0,1,0|2,0,0]=4 5112 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,1,0,0,1,0|2,0,0]=4 5113 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,1,0|2,0,0]=4 5114 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,1,0|2,0,0]=4 5115 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,1,0|2,0,0]=4 5116 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,1,0|2,0,0]=4 5117 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,1,0|2,0,0]=4 5118 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,1,0|2,0,0]=4 5119 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,1,0|2,0,0]=4 5120 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,1,0|2,0,0]=4 5121 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,1,0|2,0,0]=4 5122 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,1,0|2,0,0]=4 5123 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,1,0|2,0,0]=4 5124 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,1,0|2,0,0]=4 5125 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,1,0|2,0,0]=4 5126 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,1,0,0,1,0|2,0,0]=4 5127 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,0,0,1,0|2,0,0]=4 5128 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,1,0,0,1,0|2,0,0]=4 5129 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,1,0,0,1,0|2,0,0]=4 5130 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,1,0,0,1,0|2,0,0]=4 5131 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,1,0,0,1,0|2,0,0]=4 5132 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,1,0,0,1,0|2,0,0]=4 5133 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,1,0|2,0,0]=4 5134 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,1,0|2,0,0]=4 5135 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,1,0|2,0,0]=4 5136 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,1,0|1,0,1]=4 5137 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,1,0|1,0,1]=4 5138 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,1,0|1,0,1]=4 5139 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,1,0|1,0,1]=4 5140 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,1,0|1,0,1]=4 5141 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,1,0|1,0,1]=4 5142 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,1,0|1,0,1]=4 5143 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,1,0|1,0,1]=4 5144 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,1,0|1,0,1]=4 5145 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,1,0|0,0,2]=4 5146 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,1,0|1,0,1]=4 5147 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,1,0|1,0,1]=4 5148 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,1,0|1,0,1]=4 5149 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,1,0|1,0,1]=4 5150 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,0,0,1,0|1,0,1]=4 5151 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,0,0,1,0|1,0,1]=4 5152 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,0,0,1,0|1,0,1]=4 5153 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,0,0,1,0|1,0,1]=4 5154 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,1,0|1,0,1]=4 5155 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,1,0|0,0,2]=4 5156 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,1,0|1,0,1]=4 5157 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,1,0|1,0,1]=4 5158 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,1,0|1,0,1]=4 5159 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,1,0|1,0,1]=4 5160 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,1,0|2,0,0]=4 5161 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,1,0|2,0,0]=4 5162 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,1,0,0,1,0|2,0,0]=4 5163 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,0,0,1,0|2,0,0]=4 5164 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,1,0|2,0,0]=4 5165 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,1,0,0,1,0|2,0,0]=4 5166 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,1,0,0,1,0|2,0,0]=4 5167 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,1,0|2,0,0]=4 5168 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,1,0|2,0,0]=4 5169 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,1,0|2,0,0]=4 5170 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,1,0|2,0,0]=4 5171 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,1,0|2,0,0]=4 5172 B14R1.13 C#CC(C)NCCc1ccc(cc1)Br 2230a_100000707721_100011740612 [0,1,0,0,0,1|1,0,1]=4 5173 B14R1.13 C#CC(C)NCCc1ccc(cc1)Br 34a_100000707721_100011740612 [0,1,0,0,0,1|1,0,1]=4 5174 B14R1.13 C#CC(C)NCCc1ccc(cc1)Br 34a_100000755846_200000035995 [0,1,0,0,0,1|1,0,1]=4 5175 B14R1.13 C#CC(C)NCCc1ccc(cc1)C 2230a_100000707721_100011713686 [0,1,0,0,0,1|1,0,1]=4 5176 B14R1.13 C#CC(C)NCCc1ccc(cc1)C 34a_100000705350_200000035995 [0,1,0,0,0,1|1,0,1]=4 5177 B14R1.13 C#CC(C)NCCc1ccc(cc1)C 34a_100000707721_100011713686 [0,1,0,0,0,1|1,0,1]=4 5178 B14R1.13 C#CC(C)NCCc1ccc(cc1)Cl 2230a_100000707721_100011713675 [0,1,0,0,0,1|1,0,1]=4 5179 B14R1.13 C#CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_200000035995 [0,1,0,0,0,1|1,0,1]=4 5180 B14R1.13 C#CC(C)NCCc1ccc(cc1)Cl 34a_100000707721_100011713675 [0,1,0,0,0,1|1,0,1]=4 5181 B14R1.13 C#CC(C)NCCc1ccc(cc1)F 2230a_100000707721_100011217392 [0,1,0,0,0,1|1,0,1]=4 5182 B14R1.13 C#CC(C)NCCc1ccc(cc1)F 34a_100000199005_200000035995 [0,1,0,0,0,1|1,0,1]=4 5183 B14R1.13 C#CC(C)NCCc1ccc(cc1)F 34a_100000707721_100011217392 [0,1,0,0,0,1|1,0,1]=4 5184 B14R1.13 C#CC(C)NCCc1ccc(cc1)O 2230a_100000707721_100009816426 [0,1,0,0,0,1|1,0,1]=4 5185 B14R1.13 C#CC(C)NCCc1ccc(cc1)O 34a_100000743037_200000035995 [0,1,0,0,0,1|1,0,1]=4 5186 B14R1.13 C#CC(C)OCCc1ccc(cc1)Br 34a_100000766406_200000035995 [0,1,0,0,0,1|1,0,1]=4 5187 B14R1.13 C#CC(C)OCCc1ccc(cc1)C 34a_100000756670_200000035995 [0,1,0,0,0,1|1,0,1]=4 5188 B14R1.13 C#CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_200000035995 [0,1,0,0,0,1|1,0,1]=4 5189 B14R1.13 C#CC(C)OCCc1ccc(cc1)F 34a_100000754732_200000035995 [0,1,0,0,0,1|1,0,1]=4 5190 B14R1.13 C#CC(C)OCCc1ccc(cc1)I 34a_100012291149_200000035995 [0,1,0,0,0,1|1,0,1]=4 5191 B14R1.13 C#CC(C)OCCc1ccc(cc1)N 34a_100011204434_200000035995 [0,1,0,0,0,1|1,0,1]=4 5192 B14R1.13 C#CC(C)SCCc1ccc(cc1)Br 62a_200000035995_100011740612 [0,1,0,0,0,1|1,0,1]=4 5193 B14R1.13 C#CC(C)SCCc1ccc(cc1)C 62a_200000035995_100011713686 [0,1,0,0,0,1|1,0,1]=4 5194 B14R1.13 C#CC(C)SCCc1ccc(cc1)Cl 62a_200000035995_100011713675 [0,1,0,0,0,1|1,0,1]=4 5195 B14R1.13 C#CC(C)SCCc1ccc(cc1)F 62a_200000035995_100011217392 [0,1,0,0,0,1|1,0,1]=4 5196 B14R1.13 C#CC(C)SCCc1ccc(cc1)O 62a_200000035995_100009816426 [0,1,0,0,0,1|1,0,1]=4 5197 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)Br 34a_100009815206_100011740612 [0,1,0,0,0,1|1,0,1]=4 5198 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)Br 7a_100009815206_100011740612 [0,1,0,0,0,1|1,0,1]=4 5199 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)C 34a_100009815206_100011713686 [0,1,0,0,0,1|1,0,1]=4 5200 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)C 7a_100009815206_100011713686 [0,1,0,0,0,1|1,0,1]=4 5201 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)Cl 34a_100009815206_100011713675 [0,1,0,0,0,1|1,0,1]=4 5202 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)Cl 7a_100009815206_100011713675 [0,1,0,0,0,1|1,0,1]=4 5203 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)F 34a_100009815206_100011217392 [0,1,0,0,0,1|1,0,1]=4 5204 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)F 7a_100009815206_100011217392 [0,1,0,0,0,1|1,0,1]=4 5205 B14R1.13 C#C[C@@H](C)OCCc1ccc(cc1)O 7a_100009815206_100009816426 [0,1,0,0,0,1|1,0,1]=4 5206 B14R1.13 C=CC(C)COCc1ccc(cc1)Br 34a_100011215527_100000189115 [0,1,0,0,0,1|1,0,0]=3 5207 B14R1.13 C=CC(C)COCc1ccc(cc1)Br 7a_100011215527_100011217064 [0,1,0,0,0,1|1,0,0]=3 5208 B14R1.13 C=CC(C)COCc1ccc(cc1)C 34a_100011215527_100000210814 [0,1,0,0,0,1|1,0,0]=3 5209 B14R1.13 C=CC(C)COCc1ccc(cc1)C 7a_100011215527_100000210814 [0,1,0,0,0,1|1,0,0]=3 5210 B14R1.13 C=CC(C)COCc1ccc(cc1)Cl 34a_100011215527_100000694040 [0,1,0,0,0,1|1,0,0]=3 5211 B14R1.13 C=CC(C)COCc1ccc(cc1)Cl 7a_100011215527_100000187161 [0,1,0,0,0,1|1,0,0]=3 5212 B14R1.13 C=CC(C)COCc1ccc(cc1)F 34a_100011215527_100000198546 [0,1,0,0,0,1|1,0,0]=3 5213 B14R1.13 C=CC(C)COCc1ccc(cc1)F 7a_100011215527_100000198546 [0,1,0,0,0,1|1,0,0]=3 5214 B14R1.13 C=CC(C)COCc1ccc(cc1)I 34a_100011215527_100000189116 [0,1,0,0,0,1|1,0,0]=3 5215 B14R1.13 C=CC(C)COCc1ccc(cc1)I 7a_100011215527_100000189116 [0,1,0,0,0,1|1,0,0]=3 5216 B14R1.13 C=CC(C)COCc1ccc(cn1)Br 34a_100011215527_100000702658 [0,1,0,0,0,1|2,0,0]=4 5217 B14R1.13 C=CC(C)COCc1ccc(cn1)Br 7a_100011215527_100000702658 [0,1,0,0,0,1|2,0,0]=4 5218 B14R1.13 C=CC(C)COCc1ccc(cn1)C 34a_100011215527_100000691093 [0,1,0,0,0,1|2,0,0]=4 5219 B14R1.13 C=CC(C)COCc1ccc(cn1)C 7a_100011215527_100000691093 [0,1,0,0,0,1|2,0,0]=4 5220 B14R1.13 C=CC(C)COCc1ccc(cn1)Cl 34a_100011215527_100012066911 [0,1,0,0,0,1|2,0,0]=4 5221 B14R1.13 C=CC(C)COCc1ccc(cn1)Cl 7a_100011215527_100012066911 [0,1,0,0,0,1|2,0,0]=4 5222 B14R1.13 C=CC(C)COCc1ccc(cn1)F 34a_100011215527_100000703193 [0,1,0,0,0,1|2,0,0]=4 5223 B14R1.13 C=CC(C)COCc1ccc(cn1)F 7a_100011215527_100000703193 [0,1,0,0,0,1|2,0,0]=4 5224 B14R1.13 C=CC(C)COCc1ccc(nc1)Br 34a_100011215527_100009831999 [0,1,0,0,0,1|2,0,0]=4 5225 B14R1.13 C=CC(C)COCc1ccc(nc1)Br 7a_100011215527_100009831999 [0,1,0,0,0,1|2,0,0]=4 5226 B14R1.13 C=CC(C)COCc1ccc(nc1)C 34a_100011215527_100016987292 [0,1,0,0,0,1|2,0,0]=4 5227 B14R1.13 C=CC(C)COCc1ccc(nc1)C 7a_100011215527_100016987292 [0,1,0,0,0,1|2,0,0]=4 5228 B14R1.13 C=CC(C)COCc1ccc(nc1)Cl 34a_100011215527_100000735431 [0,1,0,0,0,1|2,0,0]=4 5229 B14R1.13 C=CC(C)COCc1ccc(nc1)Cl 7a_100011215527_100000735431 [0,1,0,0,0,1|2,0,0]=4 5230 B14R1.13 C=CC(C)COCc1ccc(nc1)F 34a_100011215527_100000099788 [0,1,0,0,0,1|2,0,0]=4 5231 B14R1.13 C=CC(C)COCc1ccc(nc1)F 7a_100011215527_100009820150 [0,1,0,0,0,1|2,0,0]=4 5232 B14R1.13 C=CC(C)OCCc1ccc(cc1)Br 34a_100000695699_100011740612 [0,1,0,0,0,1|1,0,0]=3 5233 B14R1.13 C=CC(C)OCCc1ccc(cc1)C 34a_100000695699_100011713686 [0,1,0,0,0,1|1,0,0]=3 5234 B14R1.13 C=CC(C)OCCc1ccc(cc1)Cl 34a_100000695699_100011713675 [0,1,0,0,0,1|1,0,0]=3 5235 B14R1.13 C=CC(C)OCCc1ccc(cc1)F 34a_100000695699_100011217392 [0,1,0,0,0,1|1,0,0]=3 5236 B14R1.13 C=CC(C)SCCc1ccc(cc1)Br 62a_100011215867_100011740612 [0,1,0,0,0,1|1,0,0]=3 5237 B14R1.13 C=CC(C)SCCc1ccc(cc1)C 62a_100011215867_100011713686 [0,1,0,0,0,1|1,0,0]=3 5238 B14R1.13 C=CC(C)SCCc1ccc(cc1)Cl 62a_100011215867_100011713675 [0,1,0,0,0,1|1,0,0]=3 5239 B14R1.13 C=CC(C)SCCc1ccc(cc1)F 62a_100011215867_100011217392 [0,1,0,0,0,1|1,0,0]=3 5240 B14R1.13 C=CC(C)SCCc1ccc(cc1)O 62a_100011215867_100009816426 [0,1,0,0,0,1|1,0,0]=3 5241 B14R1.13 C=CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100000730141 [0,1,0,0,0,1|2,0,0]=4 5242 B14R1.13 C=CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100000730141 [0,1,0,0,0,1|2,0,0]=4 5243 B14R1.13 C=CC(O)CNCc1ccc(cc1)C 2230a_100000174908_100000730141 [0,1,0,0,0,1|2,0,0]=4 5244 B14R1.13 C=CC(O)CNCc1ccc(cc1)C 34a_100000174908_100000730141 [0,1,0,0,0,1|2,0,0]=4 5245 B14R1.13 C=CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000730141 [0,1,0,0,0,1|2,0,0]=4 5246 B14R1.13 C=CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100000730141 [0,1,0,0,0,1|2,0,0]=4 5247 B14R1.13 C=CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100000730141 [0,1,0,0,0,1|2,0,0]=4 5248 B14R1.13 C=CC(O)CNCc1ccc(cc1)F 34a_100000174882_100000730141 [0,1,0,0,0,1|2,0,0]=4 5249 B14R1.13 C=CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100000730141 [0,1,0,0,0,1|2,0,0]=4 5250 B14R1.13 C=CC(O)CNCc1ccc(cc1)I 34a_100016989417_100000730141 [0,1,0,0,0,1|2,0,0]=4 5251 B14R1.13 C=CC(O)CNCc1ccc(cc1)O 34a_100000185549_100000730141 [0,1,0,0,0,1|2,0,0]=4 5252 B14R1.13 C=CC(O)COCc1ccc(cc1)Br 34a_100000695286_100000730141 [0,1,0,0,0,1|2,0,0]=4 5253 B14R1.13 C=CC(O)COCc1ccc(cc1)C 34a_100011215236_100000730141 [0,1,0,0,0,1|2,0,0]=4 5254 B14R1.13 C=CC(O)COCc1ccc(cc1)C 7a_100011215236_100000730141 [0,1,0,0,0,1|2,0,0]=4 5255 B14R1.13 C=CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100000730141 [0,1,0,0,0,1|2,0,0]=4 5256 B14R1.13 C=CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100000730141 [0,1,0,0,0,1|2,0,0]=4 5257 B14R1.13 C=CC(O)COCc1ccc(cc1)F 34a_100000210977_100000730141 [0,1,0,0,0,1|2,0,0]=4 5258 B14R1.13 C=CC(O)COCc1ccc(cc1)F 7a_100000210977_100000730141 [0,1,0,0,0,1|2,0,0]=4 5259 B14R1.13 C=CC(O)COCc1ccc(cc1)I 34a_100000690907_100000730141 [0,1,0,0,0,1|2,0,0]=4 5260 B14R1.13 C=CC(O)COCc1ccc(cc1)I 7a_100000690907_100000730141 [0,1,0,0,0,1|2,0,0]=4 5261 B14R1.13 C=CC(O)COCc1ccc(cc1)N 34a_100011215238_100000730141 [0,1,0,0,0,1|2,0,0]=4 5262 B14R1.13 C=CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100000730141 [0,1,0,0,0,1|2,0,0]=4 5263 B14R1.13 C=CC(O)CSCc1ccc(cc1)Br 62a_100000730141_100000189115 [0,1,0,0,0,1|2,0,0]=4 5264 B14R1.13 C=CC(O)CSCc1ccc(cc1)C 62a_100000210814_100000730141 [0,1,0,0,0,1|2,0,0]=4 5265 B14R1.13 C=CC(O)CSCc1ccc(cc1)C 62a_100000730141_100000210814 [0,1,0,0,0,1|2,0,0]=4 5266 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100000730141 [0,1,0,0,0,1|2,0,0]=4 5267 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000730141_100000187161 [0,1,0,0,0,1|2,0,0]=4 5268 B14R1.13 C=CC(O)CSCc1ccc(cc1)F 62a_100000198546_100000730141 [0,1,0,0,0,1|2,0,0]=4 5269 B14R1.13 C=CC(O)CSCc1ccc(cc1)F 62a_100000730141_100000187164 [0,1,0,0,0,1|2,0,0]=4 5270 B14R1.13 C=CC(O)CSCc1ccc(cc1)I 62a_100000189116_100000730141 [0,1,0,0,0,1|2,0,0]=4 5271 B14R1.13 C=CC(O)CSCc1ccc(cc1)I 62a_100000730141_100000189116 [0,1,0,0,0,1|2,0,0]=4 5272 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)Br 34a_100016989147_100000189115 [0,1,0,0,0,1|2,0,0]=4 5273 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)C 34a_100016989147_100000210814 [0,1,0,0,0,1|2,0,0]=4 5274 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)Cl 34a_100016989147_100000694040 [0,1,0,0,0,1|2,0,0]=4 5275 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)F 34a_100016989147_100000198546 [0,1,0,0,0,1|2,0,0]=4 5276 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)I 34a_100016989147_100000189116 [0,1,0,0,0,1|2,0,0]=4 5277 B14R1.13 CC(C#N)NCCc1ccc(cc1)Br 2230a_100000737613_100011740612 [0,1,0,0,0,1|1,0,1]=4 5278 B14R1.13 CC(C#N)NCCc1ccc(cc1)Br 2230a_100000755846_100000184139 [0,1,0,0,0,1|1,0,1]=4 5279 B14R1.13 CC(C#N)NCCc1ccc(cc1)Cl 2230a_100000185265_100000184139 [0,1,0,0,0,1|1,0,1]=4 5280 B14R1.13 CC(C#N)NCCc1ccc(cc1)Cl 2230a_100000737613_100011713675 [0,1,0,0,0,1|1,0,1]=4 5281 B14R1.13 CC(C#N)NCCc1ccc(cc1)F 2230a_100000199005_100000184139 [0,1,0,0,0,1|1,0,1]=4 5282 B14R1.13 CC(C#N)NCCc1ccc(cc1)F 2230a_100000737613_100011217392 [0,1,0,0,0,1|1,0,1]=4 5283 B14R1.13 CC(C#N)NCCc1ccc(cc1)O 2230a_100000737613_100009816426 [0,1,0,0,0,1|1,0,1]=4 5284 B14R1.13 CC(C#N)OCCc1ccc(cc1)Br 34a_100011218135_100011740612 [0,1,0,0,0,1|1,0,1]=4 5285 B14R1.13 CC(C#N)OCCc1ccc(cc1)Br 7a_100000766406_100000703298 [0,1,0,0,0,1|1,0,1]=4 5286 B14R1.13 CC(C#N)OCCc1ccc(cc1)Cl 34a_100011218135_100011713675 [0,1,0,0,0,1|1,0,1]=4 5287 B14R1.13 CC(C#N)OCCc1ccc(cc1)Cl 7a_100011219627_100000703298 [0,1,0,0,0,1|1,0,1]=4 5288 B14R1.13 CC(C#N)OCCc1ccc(cc1)F 34a_100011218135_100011217392 [0,1,0,0,0,1|1,0,1]=4 5289 B14R1.13 CC(C#N)OCCc1ccc(cc1)F 7a_100000754732_100000703298 [0,1,0,0,0,1|1,0,1]=4 5290 B14R1.13 CC(C#N)OCCc1ccc(cc1)I 7a_100012291149_100000703298 [0,1,0,0,0,1|1,0,1]=4 5291 B14R1.13 CC(C#N)SCCc1ccc(cc1)Br 62a_100000703298_100011740612 [0,1,0,0,0,1|1,0,1]=4 5292 B14R1.13 CC(C#N)SCCc1ccc(cc1)Br 62a_100011740612_100000703298 [0,1,0,0,0,1|1,0,1]=4 5293 B14R1.13 CC(C#N)SCCc1ccc(cc1)Cl 62a_100000703298_100011713675 [0,1,0,0,0,1|1,0,1]=4 5294 B14R1.13 CC(C#N)SCCc1ccc(cc1)Cl 62a_100011713675_100000703298 [0,1,0,0,0,1|1,0,1]=4 5295 B14R1.13 CC(C#N)SCCc1ccc(cc1)F 62a_100000703298_100011217392 [0,1,0,0,0,1|1,0,1]=4 5296 B14R1.13 CC(C#N)SCCc1ccc(cc1)F 62a_100011217392_100000703298 [0,1,0,0,0,1|1,0,1]=4 5297 B14R1.13 CC(C#N)SCCc1ccc(cc1)O 62a_100000703298_100009816426 [0,1,0,0,0,1|1,0,1]=4 5298 B14R1.13 CC(C#N)SCCc1ccc(cc1)O 62a_100009816426_100000703298 [0,1,0,0,0,1|1,0,1]=4 5299 B14R1.13 CC(CF)OCCc1ccc(cc1)Br 34a_100016041109_100011740612 [0,1,0,0,0,1|1,0,1]=4 5300 B14R1.13 CC(CF)OCCc1ccc(cc1)Br 7a_100016041109_100011740612 [0,1,0,0,0,1|1,0,1]=4 5301 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 34a_100016041109_100011713675 [0,1,0,0,0,1|1,0,1]=4 5302 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 7a_100016041109_100011713675 [0,1,0,0,0,1|1,0,1]=4 5303 B14R1.13 CC(CF)OCCc1ccc(cc1)F 34a_100016041109_100011217392 [0,1,0,0,0,1|1,0,1]=4 5304 B14R1.13 CC(CF)OCCc1ccc(cc1)F 7a_100016041109_100011217392 [0,1,0,0,0,1|1,0,1]=4 5305 B14R1.13 CC(CF)OCCc1ccc(cc1)O 7a_100016041109_100009816426 [0,1,0,0,0,1|1,0,1]=4 5306 B14R1.13 CC(CN)COCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,1,0,0,0,1|1,0,1]=4 5307 B14R1.13 CC(CN)COCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,1,0,0,0,1|1,0,1]=4 5308 B14R1.13 CC(CN)COCc1ccc(cc1)F 34a_100000744482_100000198546 [0,1,0,0,0,1|1,0,1]=4 5309 B14R1.13 CC(CN)COCc1ccc(cc1)I 34a_100000744482_100000189116 [0,1,0,0,0,1|1,0,1]=4 5310 B14R1.13 CC(CN)OCCc1ccc(cc1)Br 34a_100000210904_100011740612 [0,1,0,0,0,1|1,0,1]=4 5311 B14R1.13 CC(CN)OCCc1ccc(cc1)Cl 34a_100000210904_100011713675 [0,1,0,0,0,1|1,0,1]=4 5312 B14R1.13 CC(CN)OCCc1ccc(cc1)F 34a_100000210904_100011217392 [0,1,0,0,0,1|1,0,1]=4 5313 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 207a_100000744482_100000186029 [0,1,0,0,0,1|0,0,2]=4 5314 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,1,0,0,0,1|0,0,2]=4 5315 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 207a_100000744482_100000189385 [0,1,0,0,0,1|0,0,2]=4 5316 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,1,0,0,0,1|0,0,2]=4 5317 B14R1.13 CC(CO)CNCc1ccc(cc1)F 207a_100000744482_100000210084 [0,1,0,0,0,1|0,0,2]=4 5318 B14R1.13 CC(CO)CNCc1ccc(cc1)F 34a_100000744482_100000198546 [0,1,0,0,0,1|0,0,2]=4 5319 B14R1.13 CC(CO)CNCc1ccc(cc1)I 207a_100000744482_100000188517 [0,1,0,0,0,1|0,0,2]=4 5320 B14R1.13 CC(CO)CNCc1ccc(cc1)I 34a_100000744482_100000189116 [0,1,0,0,0,1|0,0,2]=4 5321 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 2230a_100000755846_100012180447 [0,1,0,0,0,1|0,0,2]=4 5322 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 34a_100000755846_100012180447 [0,1,0,0,0,1|0,0,2]=4 5323 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 2230a_100000185265_100012180447 [0,1,0,0,0,1|0,0,2]=4 5324 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 34a_100000185265_100012180447 [0,1,0,0,0,1|0,0,2]=4 5325 B14R1.13 CC(CO)NCCc1ccc(cc1)F 2230a_100000199005_100012180447 [0,1,0,0,0,1|0,0,2]=4 5326 B14R1.13 CC(CO)NCCc1ccc(cc1)F 34a_100000199005_100012180447 [0,1,0,0,0,1|0,0,2]=4 5327 B14R1.13 CC(CO)NCCc1ccc(cc1)O 34a_100000743037_100012180447 [0,1,0,0,0,1|0,0,2]=4 5328 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 34a_100000766406_100012180447 [0,1,0,0,0,1|0,0,2]=4 5329 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 7a_100000766406_100012180447 [0,1,0,0,0,1|0,0,2]=4 5330 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 34a_100011219627_100012180447 [0,1,0,0,0,1|0,0,2]=4 5331 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 7a_100011219627_100012180447 [0,1,0,0,0,1|0,0,2]=4 5332 B14R1.13 CC(CO)OCCc1ccc(cc1)F 34a_100000754732_100012180447 [0,1,0,0,0,1|0,0,2]=4 5333 B14R1.13 CC(CO)OCCc1ccc(cc1)F 7a_100000754732_100012180447 [0,1,0,0,0,1|0,0,2]=4 5334 B14R1.13 CC(CO)OCCc1ccc(cc1)I 34a_100012291149_100012180447 [0,1,0,0,0,1|0,0,2]=4 5335 B14R1.13 CC(CO)OCCc1ccc(cc1)I 7a_100012291149_100012180447 [0,1,0,0,0,1|0,0,2]=4 5336 B14R1.13 CC(CO)OCCc1ccc(cc1)N 34a_100011204434_100012180447 [0,1,0,0,0,1|0,0,2]=4 5337 B14R1.13 CC(CO)SCCc1ccc(cc1)Br 62a_100012180447_100011740612 [0,1,0,0,0,1|0,0,2]=4 5338 B14R1.13 CC(CO)SCCc1ccc(cc1)Cl 62a_100012180447_100011713675 [0,1,0,0,0,1|0,0,2]=4 5339 B14R1.13 CC(CO)SCCc1ccc(cc1)F 62a_100012180447_100011217392 [0,1,0,0,0,1|0,0,2]=4 5340 B14R1.13 CC(CO)SCCc1ccc(cc1)O 62a_100012180447_100009816426 [0,1,0,0,0,1|0,0,2]=4 5341 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 207a_100020588543_100000186029 [0,1,0,0,0,1|1,0,1]=4 5342 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000748023 [0,1,0,0,0,1|1,0,1]=4 5343 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 2230a_100020588543_100011217064 [0,1,0,0,0,1|1,0,1]=4 5344 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 26a_100020588543_100000185759 [0,1,0,0,0,1|1,0,1]=4 5345 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000243153 [0,1,0,0,0,1|1,0,1]=4 5346 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 270004a_100020588543_100000186029 [0,1,0,0,0,1|1,0,1]=4 5347 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000748023 [0,1,0,0,0,1|1,0,1]=4 5348 B14R1.13 CCC(C)CNCc1ccc(cc1)C 207a_100020588543_100000211033 [0,1,0,0,0,1|1,0,1]=4 5349 B14R1.13 CCC(C)CNCc1ccc(cc1)C 2230a_100000174908_100000748023 [0,1,0,0,0,1|1,0,1]=4 5350 B14R1.13 CCC(C)CNCc1ccc(cc1)C 2230a_100020588543_100000210814 [0,1,0,0,0,1|1,0,1]=4 5351 B14R1.13 CCC(C)CNCc1ccc(cc1)C 26a_100020588543_200020625495 [0,1,0,0,0,1|1,0,1]=4 5352 B14R1.13 CCC(C)CNCc1ccc(cc1)C 270004a_100000174908_100000243153 [0,1,0,0,0,1|1,0,1]=4 5353 B14R1.13 CCC(C)CNCc1ccc(cc1)C 270004a_100020588543_100000211033 [0,1,0,0,0,1|1,0,1]=4 5354 B14R1.13 CCC(C)CNCc1ccc(cc1)C 34a_100000174908_100000748023 [0,1,0,0,0,1|1,0,1]=4 5355 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 207a_100020588543_100000189385 [0,1,0,0,0,1|1,0,1]=4 5356 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748023 [0,1,0,0,0,1|1,0,1]=4 5357 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100020588543_100000694040 [0,1,0,0,0,1|1,0,1]=4 5358 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000243153 [0,1,0,0,0,1|1,0,1]=4 5359 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100020588543_100000189385 [0,1,0,0,0,1|1,0,1]=4 5360 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748023 [0,1,0,0,0,1|1,0,1]=4 5361 B14R1.13 CCC(C)CNCc1ccc(cc1)F 207a_100020588543_100000210084 [0,1,0,0,0,1|1,0,1]=4 5362 B14R1.13 CCC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000748023 [0,1,0,0,0,1|1,0,1]=4 5363 B14R1.13 CCC(C)CNCc1ccc(cc1)F 2230a_100020588543_100000198546 [0,1,0,0,0,1|1,0,1]=4 5364 B14R1.13 CCC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000243153 [0,1,0,0,0,1|1,0,1]=4 5365 B14R1.13 CCC(C)CNCc1ccc(cc1)F 270004a_100020588543_100000210084 [0,1,0,0,0,1|1,0,1]=4 5366 B14R1.13 CCC(C)CNCc1ccc(cc1)F 34a_100000174882_100000748023 [0,1,0,0,0,1|1,0,1]=4 5367 B14R1.13 CCC(C)CNCc1ccc(cc1)I 207a_100020588543_100000188517 [0,1,0,0,0,1|1,0,1]=4 5368 B14R1.13 CCC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748023 [0,1,0,0,0,1|1,0,1]=4 5369 B14R1.13 CCC(C)CNCc1ccc(cc1)I 2230a_100020588543_100000189116 [0,1,0,0,0,1|1,0,1]=4 5370 B14R1.13 CCC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000243153 [0,1,0,0,0,1|1,0,1]=4 5371 B14R1.13 CCC(C)CNCc1ccc(cc1)I 34a_100016989417_100000748023 [0,1,0,0,0,1|1,0,1]=4 5372 B14R1.13 CCC(C)CNCc1ccc(cc1)O 34a_100000185549_100000748023 [0,1,0,0,0,1|1,0,1]=4 5373 B14R1.13 CCC(C)COCc1ccc(cc1)Br 34a_100000695286_100000748023 [0,1,0,0,0,1|1,0,1]=4 5374 B14R1.13 CCC(C)COCc1ccc(cc1)C 34a_100011215236_100000748023 [0,1,0,0,0,1|1,0,1]=4 5375 B14R1.13 CCC(C)COCc1ccc(cc1)C 7a_100011215236_100000748023 [0,1,0,0,0,1|1,0,1]=4 5376 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748023 [0,1,0,0,0,1|1,0,1]=4 5377 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748023 [0,1,0,0,0,1|1,0,1]=4 5378 B14R1.13 CCC(C)COCc1ccc(cc1)F 34a_100000210977_100000748023 [0,1,0,0,0,1|1,0,1]=4 5379 B14R1.13 CCC(C)COCc1ccc(cc1)F 7a_100000210977_100000748023 [0,1,0,0,0,1|1,0,1]=4 5380 B14R1.13 CCC(C)COCc1ccc(cc1)I 34a_100000690907_100000748023 [0,1,0,0,0,1|1,0,1]=4 5381 B14R1.13 CCC(C)COCc1ccc(cc1)I 7a_100000690907_100000748023 [0,1,0,0,0,1|1,0,1]=4 5382 B14R1.13 CCC(C)COCc1ccc(cc1)N 34a_100011215238_100000748023 [0,1,0,0,0,1|1,0,1]=4 5383 B14R1.13 CCC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000748023 [0,1,0,0,0,1|1,0,1]=4 5384 B14R1.13 CCC(C)CSCc1ccc(cc1)Br 62a_100000748023_100000189115 [0,1,0,0,0,1|1,0,1]=4 5385 B14R1.13 CCC(C)CSCc1ccc(cc1)C 62a_100000210814_100000748023 [0,1,0,0,0,1|1,0,1]=4 5386 B14R1.13 CCC(C)CSCc1ccc(cc1)C 62a_100000748023_100000210814 [0,1,0,0,0,1|1,0,1]=4 5387 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000748023 [0,1,0,0,0,1|1,0,1]=4 5388 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000748023_100000187161 [0,1,0,0,0,1|1,0,1]=4 5389 B14R1.13 CCC(C)CSCc1ccc(cc1)F 62a_100000198546_100000748023 [0,1,0,0,0,1|1,0,1]=4 5390 B14R1.13 CCC(C)CSCc1ccc(cc1)F 62a_100000748023_100000187164 [0,1,0,0,0,1|1,0,1]=4 5391 B14R1.13 CCC(C)CSCc1ccc(cc1)I 62a_100000189116_100000748023 [0,1,0,0,0,1|1,0,1]=4 5392 B14R1.13 CCC(C)CSCc1ccc(cc1)I 62a_100000748023_100000189116 [0,1,0,0,0,1|1,0,1]=4 5393 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 2230a_100000209981_100011740612 [0,1,0,0,0,1|1,0,1]=4 5394 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000758301 [0,1,0,0,0,1|1,0,1]=4 5395 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100011215416 [0,1,0,0,0,1|1,0,1]=4 5396 B14R1.13 CCC(C)NCCc1ccc(cc1)C 2230a_100000209981_100011713686 [0,1,0,0,0,1|1,0,1]=4 5397 B14R1.13 CCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000758301 [0,1,0,0,0,1|1,0,1]=4 5398 B14R1.13 CCC(C)NCCc1ccc(cc1)C 34a_100000705350_100011215416 [0,1,0,0,0,1|1,0,1]=4 5399 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000758301 [0,1,0,0,0,1|1,0,1]=4 5400 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000209981_100011713675 [0,1,0,0,0,1|1,0,1]=4 5401 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100011215416 [0,1,0,0,0,1|1,0,1]=4 5402 B14R1.13 CCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000758301 [0,1,0,0,0,1|1,0,1]=4 5403 B14R1.13 CCC(C)NCCc1ccc(cc1)F 2230a_100000209981_100011217392 [0,1,0,0,0,1|1,0,1]=4 5404 B14R1.13 CCC(C)NCCc1ccc(cc1)F 34a_100000199005_100011215416 [0,1,0,0,0,1|1,0,1]=4 5405 B14R1.13 CCC(C)NCCc1ccc(cc1)O 2230a_100000209981_100009816426 [0,1,0,0,0,1|1,0,1]=4 5406 B14R1.13 CCC(C)NCCc1ccc(cc1)O 34a_100000743037_100011215416 [0,1,0,0,0,1|1,0,1]=4 5407 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100011215416 [0,1,0,0,0,1|1,0,1]=4 5408 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 7a_100000210228_100011740612 [0,1,0,0,0,1|1,0,1]=4 5409 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000758301 [0,1,0,0,0,1|1,0,1]=4 5410 B14R1.13 CCC(C)OCCc1ccc(cc1)C 34a_100000756670_100011215416 [0,1,0,0,0,1|1,0,1]=4 5411 B14R1.13 CCC(C)OCCc1ccc(cc1)C 7a_100000210228_100011713686 [0,1,0,0,0,1|1,0,1]=4 5412 B14R1.13 CCC(C)OCCc1ccc(cc1)C 7a_100000756670_100000758301 [0,1,0,0,0,1|1,0,1]=4 5413 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100011215416 [0,1,0,0,0,1|1,0,1]=4 5414 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100000210228_100011713675 [0,1,0,0,0,1|1,0,1]=4 5415 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000758301 [0,1,0,0,0,1|1,0,1]=4 5416 B14R1.13 CCC(C)OCCc1ccc(cc1)F 34a_100000754732_100011215416 [0,1,0,0,0,1|1,0,1]=4 5417 B14R1.13 CCC(C)OCCc1ccc(cc1)F 7a_100000210228_100011217392 [0,1,0,0,0,1|1,0,1]=4 5418 B14R1.13 CCC(C)OCCc1ccc(cc1)F 7a_100000754732_100000758301 [0,1,0,0,0,1|1,0,1]=4 5419 B14R1.13 CCC(C)OCCc1ccc(cc1)I 34a_100012291149_100011215416 [0,1,0,0,0,1|1,0,1]=4 5420 B14R1.13 CCC(C)OCCc1ccc(cc1)I 7a_100012291149_100000758301 [0,1,0,0,0,1|1,0,1]=4 5421 B14R1.13 CCC(C)OCCc1ccc(cc1)N 34a_100011204434_100011215416 [0,1,0,0,0,1|1,0,1]=4 5422 B14R1.13 CCC(C)OCCc1ccc(cc1)O 7a_100000210228_100009816426 [0,1,0,0,0,1|1,0,1]=4 5423 B14R1.13 CCC(C)SCCc1ccc(cc1)Br 62a_100000758301_100011740612 [0,1,0,0,0,1|1,0,1]=4 5424 B14R1.13 CCC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000758301 [0,1,0,0,0,1|1,0,1]=4 5425 B14R1.13 CCC(C)SCCc1ccc(cc1)C 62a_100000758301_100011713686 [0,1,0,0,0,1|1,0,1]=4 5426 B14R1.13 CCC(C)SCCc1ccc(cc1)C 62a_100011713686_100000758301 [0,1,0,0,0,1|1,0,1]=4 5427 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100000758301_100011713675 [0,1,0,0,0,1|1,0,1]=4 5428 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000758301 [0,1,0,0,0,1|1,0,1]=4 5429 B14R1.13 CCC(C)SCCc1ccc(cc1)F 62a_100000758301_100011217392 [0,1,0,0,0,1|1,0,1]=4 5430 B14R1.13 CCC(C)SCCc1ccc(cc1)F 62a_100011217392_100000758301 [0,1,0,0,0,1|1,0,1]=4 5431 B14R1.13 CCC(C)SCCc1ccc(cc1)O 62a_100000758301_100009816426 [0,1,0,0,0,1|1,0,1]=4 5432 B14R1.13 CCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000758301 [0,1,0,0,0,1|1,0,1]=4 5433 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Br 2230a_100000174875_100009816398 [0,1,0,0,0,1|1,0,1]=4 5434 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Br 34a_100000174875_100009816398 [0,1,0,0,0,1|1,0,1]=4 5435 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)C 2230a_100000174908_100009816398 [0,1,0,0,0,1|1,0,1]=4 5436 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)C 34a_100000174908_100009816398 [0,1,0,0,0,1|1,0,1]=4 5437 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 2230a_100000174871_100009816398 [0,1,0,0,0,1|1,0,1]=4 5438 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 34a_100000174871_100009816398 [0,1,0,0,0,1|1,0,1]=4 5439 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)F 2230a_100000174882_100009816398 [0,1,0,0,0,1|1,0,1]=4 5440 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)F 34a_100000174882_100009816398 [0,1,0,0,0,1|1,0,1]=4 5441 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)I 2230a_100016989417_100009816398 [0,1,0,0,0,1|1,0,1]=4 5442 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)I 34a_100016989417_100009816398 [0,1,0,0,0,1|1,0,1]=4 5443 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)O 34a_100000185549_100009816398 [0,1,0,0,0,1|1,0,1]=4 5444 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 34a_100000695286_100009816398 [0,1,0,0,0,1|1,0,1]=4 5445 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 7a_100009816381_100011217064 [0,1,0,0,0,1|1,0,1]=4 5446 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 34a_100011215236_100009816398 [0,1,0,0,0,1|1,0,1]=4 5447 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100009816381_100000210814 [0,1,0,0,0,1|1,0,1]=4 5448 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100011215236_100009816398 [0,1,0,0,0,1|1,0,1]=4 5449 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 34a_100000211118_100009816398 [0,1,0,0,0,1|1,0,1]=4 5450 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100000211118_100009816398 [0,1,0,0,0,1|1,0,1]=4 5451 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100009816381_100000187161 [0,1,0,0,0,1|1,0,1]=4 5452 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 34a_100000210977_100009816398 [0,1,0,0,0,1|1,0,1]=4 5453 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100000210977_100009816398 [0,1,0,0,0,1|1,0,1]=4 5454 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100009816381_100000198546 [0,1,0,0,0,1|1,0,1]=4 5455 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 34a_100000690907_100009816398 [0,1,0,0,0,1|1,0,1]=4 5456 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100000690907_100009816398 [0,1,0,0,0,1|1,0,1]=4 5457 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100009816381_100000189116 [0,1,0,0,0,1|1,0,1]=4 5458 B14R1.13 CC[C@H](C)COCc1ccc(cc1)N 34a_100011215238_100009816398 [0,1,0,0,0,1|1,0,1]=4 5459 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Br 62a_100000189115_100009816398 [0,1,0,0,0,1|1,0,1]=4 5460 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Br 62a_100009816398_100000189115 [0,1,0,0,0,1|1,0,1]=4 5461 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)C 62a_100000210814_100009816398 [0,1,0,0,0,1|1,0,1]=4 5462 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)C 62a_100009816398_100000210814 [0,1,0,0,0,1|1,0,1]=4 5463 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100000187161_100009816398 [0,1,0,0,0,1|1,0,1]=4 5464 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100009816398_100000187161 [0,1,0,0,0,1|1,0,1]=4 5465 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)F 62a_100000198546_100009816398 [0,1,0,0,0,1|1,0,1]=4 5466 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)F 62a_100009816398_100000187164 [0,1,0,0,0,1|1,0,1]=4 5467 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)I 62a_100000189116_100009816398 [0,1,0,0,0,1|1,0,1]=4 5468 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)I 62a_100009816398_100000189116 [0,1,0,0,0,1|1,0,1]=4 5469 B14R1.13 CNC(C)CCSc1ccc(cc1)F 270004a_106832991635_100000208766 [0,1,0,0,0,1|2,0,0]=4 5470 B14R1.13 COC(C)COCc1ccc(cc1)Br 34a_100000690652_100000189115 [0,1,0,0,0,1|2,0,0]=4 5471 B14R1.13 COC(C)COCc1ccc(cc1)C 34a_100000690652_100000210814 [0,1,0,0,0,1|2,0,0]=4 5472 B14R1.13 COC(C)COCc1ccc(cc1)Cl 34a_100000690652_100000694040 [0,1,0,0,0,1|2,0,0]=4 5473 B14R1.13 COC(C)COCc1ccc(cc1)F 34a_100000690652_100000198546 [0,1,0,0,0,1|2,0,0]=4 5474 B14R1.13 COC(C)COCc1ccc(cc1)I 34a_100000690652_100000189116 [0,1,0,0,0,1|2,0,0]=4 5475 B14R1.13 COC(C)SCCc1ccc(cc1)Br 62a_100009879195_100011740612 [0,1,0,0,0,1|2,0,0]=4 5476 B14R1.13 COC(C)SCCc1ccc(cc1)Br 62a_100011740612_100009879195 [0,1,0,0,0,1|2,0,0]=4 5477 B14R1.13 COC(C)SCCc1ccc(cc1)C 62a_100009879195_100011713686 [0,1,0,0,0,1|2,0,0]=4 5478 B14R1.13 COC(C)SCCc1ccc(cc1)C 62a_100011713686_100009879195 [0,1,0,0,0,1|2,0,0]=4 5479 B14R1.13 COC(C)SCCc1ccc(cc1)Cl 62a_100009879195_100011713675 [0,1,0,0,0,1|2,0,0]=4 5480 B14R1.13 COC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100009879195 [0,1,0,0,0,1|2,0,0]=4 5481 B14R1.13 COC(C)SCCc1ccc(cc1)F 62a_100009879195_100011217392 [0,1,0,0,0,1|2,0,0]=4 5482 B14R1.13 COC(C)SCCc1ccc(cc1)F 62a_100011217392_100009879195 [0,1,0,0,0,1|2,0,0]=4 5483 B14R1.13 COC(C)SCCc1ccc(cc1)O 62a_100009816426_100009879195 [0,1,0,0,0,1|2,0,0]=4 5484 B14R1.13 COC(C)SCCc1ccc(cc1)O 62a_100009879195_100009816426 [0,1,0,0,0,1|2,0,0]=4 5485 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Br 207a_100020591295_100000186029 [0,1,0,0,0,1|2,0,0]=4 5486 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Br 2230a_100020591295_100011217064 [0,1,0,0,0,1|2,0,0]=4 5487 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Br 270004a_100020591295_100000186029 [0,1,0,0,0,1|2,0,0]=4 5488 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)C 207a_100020591295_100000211033 [0,1,0,0,0,1|2,0,0]=4 5489 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)C 2230a_100020591295_100000210814 [0,1,0,0,0,1|2,0,0]=4 5490 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)C 270004a_100020591295_100000211033 [0,1,0,0,0,1|2,0,0]=4 5491 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Cl 207a_100020591295_100000189385 [0,1,0,0,0,1|2,0,0]=4 5492 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Cl 2230a_100020591295_100000694040 [0,1,0,0,0,1|2,0,0]=4 5493 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)Cl 270004a_100020591295_100000189385 [0,1,0,0,0,1|2,0,0]=4 5494 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)F 207a_100020591295_100000210084 [0,1,0,0,0,1|2,0,0]=4 5495 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)F 2230a_100020591295_100000198546 [0,1,0,0,0,1|2,0,0]=4 5496 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)F 270004a_100020591295_100000210084 [0,1,0,0,0,1|2,0,0]=4 5497 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)I 207a_100020591295_100000188517 [0,1,0,0,0,1|2,0,0]=4 5498 B14R1.13 CO[C@H](C)CNCc1ccc(cc1)I 2230a_100020591295_100000189116 [0,1,0,0,0,1|2,0,0]=4 5499 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 2230a_100000174875_100000059175 [0,1,0,0,0,1|0,0,2]=4 5500 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 34a_100000174875_100000059175 [0,1,0,0,0,1|0,0,2]=4 5501 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 2230a_100000174871_100000059175 [0,1,0,0,0,1|0,0,2]=4 5502 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 34a_100000174871_100000059175 [0,1,0,0,0,1|0,0,2]=4 5503 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 2230a_100000174882_100000059175 [0,1,0,0,0,1|0,0,2]=4 5504 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 34a_100000174882_100000059175 [0,1,0,0,0,1|0,0,2]=4 5505 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 2230a_100016989417_100000059175 [0,1,0,0,0,1|0,0,2]=4 5506 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 34a_100016989417_100000059175 [0,1,0,0,0,1|0,0,2]=4 5507 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)O 34a_100000185549_100000059175 [0,1,0,0,0,1|0,0,2]=4 5508 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Br 34a_100000695286_100000059175 [0,1,0,0,0,1|0,0,2]=4 5509 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 34a_100000211118_100000059175 [0,1,0,0,0,1|0,0,2]=4 5510 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 7a_100000211118_100000059175 [0,1,0,0,0,1|0,0,2]=4 5511 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 34a_100000210977_100000059175 [0,1,0,0,0,1|0,0,2]=4 5512 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 7a_100000210977_100000059175 [0,1,0,0,0,1|0,0,2]=4 5513 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 34a_100000690907_100000059175 [0,1,0,0,0,1|0,0,2]=4 5514 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 7a_100000690907_100000059175 [0,1,0,0,0,1|0,0,2]=4 5515 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)N 34a_100011215238_100000059175 [0,1,0,0,0,1|0,0,2]=4 5516 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000059175_100000189115 [0,1,0,0,0,1|0,0,2]=4 5517 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000189115_100000059175 [0,1,0,0,0,1|0,0,2]=4 5518 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000059175_100000187161 [0,1,0,0,0,1|0,0,2]=4 5519 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000187161_100000059175 [0,1,0,0,0,1|0,0,2]=4 5520 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000059175_100000187164 [0,1,0,0,0,1|0,0,2]=4 5521 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000198546_100000059175 [0,1,0,0,0,1|0,0,2]=4 5522 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000059175_100000189116 [0,1,0,0,0,1|0,0,2]=4 5523 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000189116_100000059175 [0,1,0,0,0,1|0,0,2]=4 5524 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Br 2230a_100000737577_100011740612 [0,1,0,0,0,1|0,0,2]=4 5525 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Cl 2230a_100000737577_100011713675 [0,1,0,0,0,1|0,0,2]=4 5526 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)F 2230a_100000737577_100011217392 [0,1,0,0,0,1|0,0,2]=4 5527 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)O 2230a_100000737577_100009816426 [0,1,0,0,0,1|0,0,2]=4 5528 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100011740612_100016084084 [0,1,0,0,0,1|0,0,2]=4 5529 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100016084084_100011740612 [0,1,0,0,0,1|0,0,2]=4 5530 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100011713675_100016084084 [0,1,0,0,0,1|0,0,2]=4 5531 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100016084084_100011713675 [0,1,0,0,0,1|0,0,2]=4 5532 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100011217392_100016084084 [0,1,0,0,0,1|0,0,2]=4 5533 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100016084084_100011217392 [0,1,0,0,0,1|0,0,2]=4 5534 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100009816426_100016084084 [0,1,0,0,0,1|0,0,2]=4 5535 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100016084084_100009816426 [0,1,0,0,0,1|0,0,2]=4 5536 B14R1.13 Cc1ccc(cc1)CCNC(C)C#N 2230a_100000705350_100000184139 [0,1,0,0,0,1|1,0,1]=4 5537 B14R1.13 Cc1ccc(cc1)CCNC(C)C#N 2230a_100000737613_100011713686 [0,1,0,0,0,1|1,0,1]=4 5538 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 2230a_100000705350_100012180447 [0,1,0,0,0,1|0,0,2]=4 5539 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 34a_100000705350_100012180447 [0,1,0,0,0,1|0,0,2]=4 5540 B14R1.13 Cc1ccc(cc1)CCN[C@H](C)CO 2230a_100000737577_100011713686 [0,1,0,0,0,1|0,0,2]=4 5541 B14R1.13 Cc1ccc(cc1)CCOC(C)C#N 34a_100011218135_100011713686 [0,1,0,0,0,1|1,0,1]=4 5542 B14R1.13 Cc1ccc(cc1)CCOC(C)C#N 7a_100000756670_100000703298 [0,1,0,0,0,1|1,0,1]=4 5543 B14R1.13 Cc1ccc(cc1)CCOC(C)CF 34a_100016041109_100011713686 [0,1,0,0,0,1|1,0,1]=4 5544 B14R1.13 Cc1ccc(cc1)CCOC(C)CF 7a_100016041109_100011713686 [0,1,0,0,0,1|1,0,1]=4 5545 B14R1.13 Cc1ccc(cc1)CCOC(C)CN 34a_100000210904_100011713686 [0,1,0,0,0,1|1,0,1]=4 5546 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 34a_100000756670_100012180447 [0,1,0,0,0,1|0,0,2]=4 5547 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 7a_100000756670_100012180447 [0,1,0,0,0,1|0,0,2]=4 5548 B14R1.13 Cc1ccc(cc1)CCSC(C)C#N 62a_100000703298_100011713686 [0,1,0,0,0,1|1,0,1]=4 5549 B14R1.13 Cc1ccc(cc1)CCSC(C)C#N 62a_100011713686_100000703298 [0,1,0,0,0,1|1,0,1]=4 5550 B14R1.13 Cc1ccc(cc1)CCSC(C)CO 62a_100012180447_100011713686 [0,1,0,0,0,1|0,0,2]=4 5551 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100011713686_100016084084 [0,1,0,0,0,1|0,0,2]=4 5552 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100016084084_100011713686 [0,1,0,0,0,1|0,0,2]=4 5553 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 207a_100000744482_100000211033 [0,1,0,0,0,1|0,0,2]=4 5554 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 34a_100000744482_100000210814 [0,1,0,0,0,1|0,0,2]=4 5555 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 2230a_100000174908_100000059175 [0,1,0,0,0,1|0,0,2]=4 5556 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 34a_100000174908_100000059175 [0,1,0,0,0,1|0,0,2]=4 5557 B14R1.13 Cc1ccc(cc1)COCC(C)CN 34a_100000744482_100000210814 [0,1,0,0,0,1|1,0,1]=4 5558 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 34a_100011215236_100000059175 [0,1,0,0,0,1|0,0,2]=4 5559 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 7a_100011215236_100000059175 [0,1,0,0,0,1|0,0,2]=4 5560 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000059175_100000210814 [0,1,0,0,0,1|0,0,2]=4 5561 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000210814_100000059175 [0,1,0,0,0,1|0,0,2]=4 5562 B14R1.163 C#CC(C)NCC(C)c1ccccc1 2230a_100000707721_100000756946 [0,1,0,0,0,1|1,0,1]=4 5563 B14R1.163 C#CC(C)NCC(C)c1ccccc1 270004a_100000707721_100000212034 [0,1,0,0,0,1|1,0,1]=4 5564 B14R1.163 C#CC(C)NCC(C)c1ccccc1 34a_100000701038_200000035995 [0,1,0,0,0,1|1,0,1]=4 5565 B14R1.163 C#CC(C)NCC(C)c1ccccc1 34a_100000707721_100000756946 [0,1,0,0,0,1|1,0,1]=4 5566 B14R1.163 C#CC(C)NCC(O)c1ccccc1 2230a_100000707721_100000185958 [0,1,0,0,0,1|1,0,1]=4 5567 B14R1.163 C#CC(C)NCC(O)c1ccccc1 34a_100000707721_100000185958 [0,1,0,0,0,1|1,0,1]=4 5568 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 2230a_100000707721_100011933945 [0,1,0,0,0,1|1,0,1]=4 5569 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 34a_100000707721_100011933945 [0,1,0,0,0,1|1,0,1]=4 5570 B14R1.163 C#CC(C)OCC(C)c1ccccc1 34a_100011215166_200000035995 [0,1,0,0,0,1|1,0,1]=4 5571 B14R1.163 C#CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_200000035995 [0,1,0,0,0,1|1,0,1]=4 5572 B14R1.163 C#CC(C)SCC(C)c1ccccc1 62a_200000035995_100000756946 [0,1,0,0,0,1|1,0,1]=4 5573 B14R1.163 C#CC(C)SCC(O)c1ccccc1 62a_200000035995_100000185958 [0,1,0,0,0,1|1,0,1]=4 5574 B14R1.163 C#CC(C)SC[C@@H](O)c1ccccc1 62a_200000035995_100011933945 [0,1,0,0,0,1|1,0,1]=4 5575 B14R1.163 C#C[C@@H](C)OCC(C)c1ccccc1 34a_100009815206_100000756946 [0,1,0,0,0,1|1,0,1]=4 5576 B14R1.163 C#C[C@@H](C)OCC(C)c1ccccc1 7a_100009815206_100000756946 [0,1,0,0,0,1|1,0,1]=4 5577 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 34a_100009815206_100000185958 [0,1,0,0,0,1|1,0,1]=4 5578 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 7a_100009815206_100000185958 [0,1,0,0,0,1|1,0,1]=4 5579 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100009815206_100011933945 [0,1,0,0,0,1|1,0,1]=4 5580 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100009815206_100011933945 [0,1,0,0,0,1|1,0,1]=4 5581 B14R1.163 C=CC(C)COC(C)c1ccccc1 34a_100011215527_100000211855 [0,1,0,0,0,1|1,0,0]=3 5582 B14R1.163 C=CC(C)COC(C)c1ccccc1 7a_100011215527_100000230085 [0,1,0,0,0,1|1,0,0]=3 5583 B14R1.163 C=CC(C)OCC(C)c1ccccc1 34a_100000695699_100000756946 [0,1,0,0,0,1|1,0,0]=3 5584 B14R1.163 C=CC(C)OCC(O)c1ccccc1 34a_100000695699_100000185958 [0,1,0,0,0,1|1,0,0]=3 5585 B14R1.163 C=CC(C)OC[C@@H](O)c1ccccc1 34a_100000695699_100011933945 [0,1,0,0,0,1|1,0,0]=3 5586 B14R1.163 C=CC(C)SCC(=O)c1ccccc1 62a_100011215867_100000211460 [0,1,0,0,0,1|1,0,1]=4 5587 B14R1.163 C=CC(C)SCC(C)c1ccccc1 62a_100011215867_100000756946 [0,1,0,0,0,1|1,0,0]=3 5588 B14R1.163 C=CC(C)SCC(O)c1ccccc1 62a_100011215867_100000185958 [0,1,0,0,0,1|1,0,0]=3 5589 B14R1.163 C=CC(C)SCS(=O)c1ccccc1 62a_100011215867_100000031784 [0,1,0,0,0,1|2,0,0]=4 5590 B14R1.163 C=CC(C)SC[C@@H](O)c1ccccc1 62a_100011215867_100011933945 [0,1,0,0,0,1|1,0,0]=3 5591 B14R1.163 C=CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000730141 [0,1,0,0,0,1|2,0,0]=4 5592 B14R1.163 C=CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100000730141 [0,1,0,0,0,1|2,0,0]=4 5593 B14R1.163 C=CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100000730141 [0,1,0,0,0,1|2,0,0]=4 5594 B14R1.163 C=CC(O)CSC(C)c1ccccc1 62a_100000230085_100000730141 [0,1,0,0,0,1|2,0,0]=4 5595 B14R1.163 C=CC(O)CSC(C)c1ccccc1 62a_100000730141_100000230085 [0,1,0,0,0,1|2,0,0]=4 5596 B14R1.163 C=C[C@H](N)COC(C)c1ccccc1 34a_100016989147_100000211855 [0,1,0,0,0,1|2,0,0]=4 5597 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000701038_100000184139 [0,1,0,0,0,1|1,0,1]=4 5598 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000737613_100000756946 [0,1,0,0,0,1|1,0,1]=4 5599 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000210709_100000184139 [0,1,0,0,0,1|1,0,1]=4 5600 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000737613_100000185958 [0,1,0,0,0,1|1,0,1]=4 5601 B14R1.163 CC(C#N)NC[C@@H](O)c1ccccc1 2230a_100000737613_100011933945 [0,1,0,0,0,1|1,0,1]=4 5602 B14R1.163 CC(C#N)OCC(C)c1ccccc1 34a_100011218135_100000756946 [0,1,0,0,0,1|1,0,1]=4 5603 B14R1.163 CC(C#N)OCC(C)c1ccccc1 7a_100011215166_100000703298 [0,1,0,0,0,1|1,0,1]=4 5604 B14R1.163 CC(C#N)OCC(O)c1ccccc1 34a_100011218135_100000185958 [0,1,0,0,0,1|1,0,1]=4 5605 B14R1.163 CC(C#N)OC[C@@H](O)c1ccccc1 34a_100011218135_100011933945 [0,1,0,0,0,1|1,0,1]=4 5606 B14R1.163 CC(C#N)SCC(C)c1ccccc1 62a_100000703298_100000756946 [0,1,0,0,0,1|1,0,1]=4 5607 B14R1.163 CC(C#N)SCC(C)c1ccccc1 62a_100000756946_100000703298 [0,1,0,0,0,1|1,0,1]=4 5608 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000185958_100000703298 [0,1,0,0,0,1|1,0,1]=4 5609 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000703298_100000185958 [0,1,0,0,0,1|1,0,1]=4 5610 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100000703298_100011933945 [0,1,0,0,0,1|1,0,1]=4 5611 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100000703298 [0,1,0,0,0,1|1,0,1]=4 5612 B14R1.163 CC(CCC(=O)c1ccccc1)O[13CH3] 7a_200012571355_200025704644 [0,1,0,0,0,1|2,0,0]=4 5613 B14R1.163 CC(CF)OCC(C)c1ccccc1 34a_100016041109_100000756946 [0,1,0,0,0,1|1,0,1]=4 5614 B14R1.163 CC(CF)OCC(C)c1ccccc1 7a_100016041109_100000756946 [0,1,0,0,0,1|1,0,1]=4 5615 B14R1.163 CC(CF)OCC(O)c1ccccc1 34a_100016041109_100000185958 [0,1,0,0,0,1|1,0,1]=4 5616 B14R1.163 CC(CF)OCC(O)c1ccccc1 7a_100016041109_100000185958 [0,1,0,0,0,1|1,0,1]=4 5617 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 34a_100016041109_100011933945 [0,1,0,0,0,1|1,0,1]=4 5618 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 7a_100016041109_100011933945 [0,1,0,0,0,1|1,0,1]=4 5619 B14R1.163 CC(CN)COC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,0,1|1,0,1]=4 5620 B14R1.163 CC(CN)OCC(C)c1ccccc1 34a_100000210904_100000756946 [0,1,0,0,0,1|1,0,1]=4 5621 B14R1.163 CC(CN)OCC(O)c1ccccc1 34a_100000210904_100000185958 [0,1,0,0,0,1|1,0,1]=4 5622 B14R1.163 CC(CN)OC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,1,0,0,0,1|1,0,1]=4 5623 B14R1.163 CC(CN[C@H](C)CF)c1ccccc1 270004a_100102880703_100000212034 [0,1,0,0,0,1|1,0,1]=4 5624 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 2230a_100000737577_100000756946 [0,1,0,0,0,1|0,0,2]=4 5625 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 270004a_100000737577_100000212034 [0,1,0,0,0,1|0,0,2]=4 5626 B14R1.163 CC(CO)CNC(C)c1ccccc1 269862a_100000744482_100000185851 [0,1,0,0,0,1|0,0,2]=4 5627 B14R1.163 CC(CO)CNC(C)c1ccccc1 34a_100000744482_100000211855 [0,1,0,0,0,1|0,0,2]=4 5628 B14R1.163 CC(CO)NCC(C)c1ccccc1 2230a_100000701038_100012180447 [0,1,0,0,0,1|0,0,2]=4 5629 B14R1.163 CC(CO)NCC(C)c1ccccc1 34a_100000701038_100012180447 [0,1,0,0,0,1|0,0,2]=4 5630 B14R1.163 CC(CO)NCC(O)c1ccccc1 2230a_100000210709_100012180447 [0,1,0,0,0,1|0,0,2]=4 5631 B14R1.163 CC(CO)OCC(C)c1ccccc1 34a_100011215166_100012180447 [0,1,0,0,0,1|0,0,2]=4 5632 B14R1.163 CC(CO)OCC(C)c1ccccc1 7a_100011215166_100012180447 [0,1,0,0,0,1|0,0,2]=4 5633 B14R1.163 CC(CO)OC[C@@H](N)c1ccccc1 34a_100000751927_100012180447 [0,1,0,0,0,1|0,0,2]=4 5634 B14R1.163 CC(CO)SCC(C)c1ccccc1 62a_100012180447_100000756946 [0,1,0,0,0,1|0,0,2]=4 5635 B14R1.163 CC(CO)SCC(O)c1ccccc1 62a_100012180447_100000185958 [0,1,0,0,0,1|0,0,2]=4 5636 B14R1.163 CC(CO)SC[C@@H](O)c1ccccc1 62a_100012180447_100011933945 [0,1,0,0,0,1|0,0,2]=4 5637 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100000756946_100016084084 [0,1,0,0,0,1|0,0,2]=4 5638 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100016084084_100000756946 [0,1,0,0,0,1|0,0,2]=4 5639 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000230085 [0,1,0,0,0,1|0,0,2]=4 5640 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000230085_100000059175 [0,1,0,0,0,1|0,0,2]=4 5641 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,1,0,0,0,1|1,0,1]=4 5642 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,1,0,0,0,1|1,0,1]=4 5643 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,1,0,0,0,1|1,0,1]=4 5644 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,1,0,0,0,1|1,0,1]=4 5645 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,1,0,0,0,1|1,0,1]=4 5646 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,1,0,0,0,1|1,0,1]=4 5647 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000230085_100000748023 [0,1,0,0,0,1|1,0,1]=4 5648 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000748023_100000230085 [0,1,0,0,0,1|1,0,1]=4 5649 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000209981_100000756946 [0,1,0,0,0,1|1,0,1]=4 5650 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000758301 [0,1,0,0,0,1|1,0,1]=4 5651 B14R1.163 CCC(C)NCC(C)c1ccccc1 270004a_100000209981_100000212034 [0,1,0,0,0,1|1,0,1]=4 5652 B14R1.163 CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011215416 [0,1,0,0,0,1|1,0,1]=4 5653 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000209981_100000185958 [0,1,0,0,0,1|1,0,1]=4 5654 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000758301 [0,1,0,0,0,1|1,0,1]=4 5655 B14R1.163 CCC(C)NC[C@@H](O)c1ccccc1 2230a_100000209981_100011933945 [0,1,0,0,0,1|1,0,1]=4 5656 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,1,0,0,0,1|1,0,1]=4 5657 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,1,0,0,0,1|1,0,1]=4 5658 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,1,0,0,0,1|1,0,1]=4 5659 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,1,0,0,0,1|1,0,1]=4 5660 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [0,1,0,0,0,1|1,0,1]=4 5661 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,1,0,0,0,1|1,0,1]=4 5662 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000756946_100000758301 [0,1,0,0,0,1|1,0,1]=4 5663 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000758301_100000756946 [0,1,0,0,0,1|1,0,1]=4 5664 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000185958_100000758301 [0,1,0,0,0,1|1,0,1]=4 5665 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000758301_100000185958 [0,1,0,0,0,1|1,0,1]=4 5666 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100000758301_100011933945 [0,1,0,0,0,1|1,0,1]=4 5667 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000758301 [0,1,0,0,0,1|1,0,1]=4 5668 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,1,0,0,0,1|1,0,1]=4 5669 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,1,0,0,0,1|1,0,1]=4 5670 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,1,0,0,0,1|1,0,1]=4 5671 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,1,0,0,0,1|1,0,1]=4 5672 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100000230085_100009816398 [0,1,0,0,0,1|1,0,1]=4 5673 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100009816398_100000230085 [0,1,0,0,0,1|1,0,1]=4 5674 B14R1.163 COC(C)CCC(=O)c1ccccc1 7a_200012571355_200000210301 [0,1,0,0,0,1|2,0,0]=4 5675 B14R1.163 COC(C)COC(C)c1ccccc1 34a_100000690652_100000211855 [0,1,0,0,0,1|2,0,0]=4 5676 B14R1.163 COC(C)SCC(C)c1ccccc1 62a_100000756946_100009879195 [0,1,0,0,0,1|2,0,0]=4 5677 B14R1.163 COC(C)SCC(C)c1ccccc1 62a_100009879195_100000756946 [0,1,0,0,0,1|2,0,0]=4 5678 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100000185958_100009879195 [0,1,0,0,0,1|2,0,0]=4 5679 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100009879195_100000185958 [0,1,0,0,0,1|2,0,0]=4 5680 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100009879195_100011933945 [0,1,0,0,0,1|2,0,0]=4 5681 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100009879195 [0,1,0,0,0,1|2,0,0]=4 5682 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 2230a_100020591295_100000230085 [0,1,0,0,0,1|2,0,0]=4 5683 B14R1.163 CO[C@H](C)CNC(C)c1ccccc1 269862a_100020591295_100000185851 [0,1,0,0,0,1|2,0,0]=4 5684 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 2230a_100000751104_100000059175 [0,1,0,0,0,1|0,0,2]=4 5685 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [0,1,0,0,0,1|0,0,2]=4 5686 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [0,1,0,0,0,1|0,0,2]=4 5687 B14R1.163 C[C@H](CO)NCC(O)c1ccccc1 2230a_100000737577_100000185958 [0,1,0,0,0,1|0,0,2]=4 5688 B14R1.163 C[C@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000737577_100011933945 [0,1,0,0,0,1|0,0,2]=4 5689 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100000185958_100016084084 [0,1,0,0,0,1|0,0,2]=4 5690 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100016084084_100000185958 [0,1,0,0,0,1|0,0,2]=4 5691 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100011933945_100016084084 [0,1,0,0,0,1|0,0,2]=4 5692 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100016084084_100011933945 [0,1,0,0,0,1|0,0,2]=4 5693 B14R1.292 C#CC(C)(C)NCCc1ccccc1 34a_100000054563_100000765856 [0,1,0,0,0,1|1,0,1]=4 5694 B14R1.292 C#CC(C)(C)NCCc1ccccc1 34a_100000106460_100000038118 [0,1,0,0,0,1|1,0,1]=4 5695 B14R1.292 C#CC(C)(C)OCCc1ccccc1 34a_100000189450_100000765856 [0,1,0,0,0,1|1,0,1]=4 5696 B14R1.292 C#CC(C)(C)OCCc1ccccc1 34a_100000210268_100000038118 [0,1,0,0,0,1|1,0,1]=4 5697 B14R1.292 C#CC(C)(C)OCCc1ccccc1 7a_100000189450_100000765856 [0,1,0,0,0,1|1,0,1]=4 5698 B14R1.292 C#CC(C)(C)SCCc1ccccc1 62a_100000038118_100011218657 [0,1,0,0,0,1|1,0,1]=4 5699 B14R1.292 C#CC(C)(C)SCCc1ccccc1 62a_100000765856_100000038118 [0,1,0,0,0,1|1,0,1]=4 5700 B14R1.292 C=CC(C)(C)OCCc1ccccc1 34a_100011215311_100000765856 [0,1,0,0,0,1|1,0,0]=3 5701 B14R1.292 C=CC(C)(C)OCCc1ccccc1 7a_100011215311_100000765856 [0,1,0,0,0,1|1,0,0]=3 5702 B14R1.292 C=CC(C)(C)OCCc1ccccn1 7a_100011215311_100015183660 [0,1,0,0,0,1|2,0,0]=4 5703 B14R1.292 C=CC(C)(C)OCCc1cccnc1 7a_100011215311_200011713674 [0,1,0,0,0,1|2,0,0]=4 5704 B14R1.292 C=CC(C)(C)OCCc1ccncc1 7a_100011215311_100000723409 [0,1,0,0,0,1|2,0,0]=4 5705 B14R1.292 C=CC(F)(F)SCCc1ccccc1 62a_100000765856_100009814244 [0,1,0,0,0,1|2,0,0]=4 5706 B14R1.292 C=CC(F)(F)SCCc1ccccc1 62a_100009814244_100011218657 [0,1,0,0,0,1|2,0,0]=4 5707 B14R1.292 C=C[Si](C)(C)CNCc1ccccc1 2230a_100015324214_100000038793 [0,1,0,0,0,1|1,1,0]=4 5708 B14R1.292 C=C[Si](C)(C)CSCc1ccccc1 62a_100000038793_100015291786 [0,1,0,0,0,1|1,1,0]=4 5709 B14R1.292 C=C[Si](C)(C)CSCc1ccccc1 62a_100000211182_100000038793 [0,1,0,0,0,1|1,1,0]=4 5710 B14R1.292 CC(C)(C#N)NCCc1ccccc1 34a_100000106460_100011162410 [0,1,0,0,0,1|1,0,1]=4 5711 B14R1.292 CC(C)(C#N)OCCc1ccccc1 34a_100000210268_100011162410 [0,1,0,0,0,1|1,0,1]=4 5712 B14R1.292 CC(C)(C#N)OCCc1ccccc1 34a_200015195151_100000765856 [0,1,0,0,0,1|1,0,1]=4 5713 B14R1.292 CC(C)(C#N)OCCc1ccccc1 7a_100000210268_100011162410 [0,1,0,0,0,1|1,0,1]=4 5714 B14R1.292 CC(C)(C#N)SCCc1ccccc1 62a_100000765856_100011162410 [0,1,0,0,0,1|1,0,1]=4 5715 B14R1.292 CC(C)(C#N)SCCc1ccccc1 62a_100011162410_100011218657 [0,1,0,0,0,1|1,0,1]=4 5716 B14R1.292 CC(C)(CCl)COCc1ccccc1 7a_100011217199_100000211182 [0,1,0,0,0,1|1,0,1]=4 5717 B14R1.292 CC(C)(CCl)OCCc1ccccc1 7a_100000764493_100000765856 [0,1,0,0,0,1|1,0,1]=4 5718 B14R1.292 CC(C)(CO)CNCc1ccccc1 207a_100020635058_100015611070 [0,1,0,0,0,1|0,0,2]=4 5719 B14R1.292 CC(C)(CO)CNCc1ccccc1 2230a_100020635058_100015291786 [0,1,0,0,0,1|0,0,2]=4 5720 B14R1.292 CC(C)(CO)CNCc1ccccc1 270004a_100020635058_100015611070 [0,1,0,0,0,1|0,0,2]=4 5721 B14R1.292 CC(C)(CO)CNCc1ccccc1 34a_100015324214_100009813988 [0,1,0,0,0,1|0,0,2]=4 5722 B14R1.292 CC(C)(CO)COCc1ccccc1 34a_100000210790_100009813988 [0,1,0,0,0,1|0,0,2]=4 5723 B14R1.292 CC(C)(CO)COCc1ccccc1 7a_100000210790_100009813988 [0,1,0,0,0,1|0,0,2]=4 5724 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100000211182_100009813988 [0,1,0,0,0,1|0,0,2]=4 5725 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100009813988_100015291786 [0,1,0,0,0,1|0,0,2]=4 5726 B14R1.292 CC(C)(CO)NCCc1ccccc1 2230a_100000210608_100000765856 [0,1,0,0,0,1|0,0,2]=4 5727 B14R1.292 CCC(C)(C)COCc1ccccc1 7a_100000765029_100000211182 [0,1,0,0,0,1|1,0,1]=4 5728 B14R1.292 CCC(C)(C)NCCc1ccccc1 2230a_100000211385_100000765856 [0,1,0,0,0,1|1,0,1]=4 5729 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210230_100000765856 [0,1,0,0,0,1|1,0,1]=4 5730 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210268_100000210677 [0,1,0,0,0,1|1,0,1]=4 5731 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000032637_100011218657 [0,1,0,0,0,1|1,0,1]=4 5732 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000765856_100000032637 [0,1,0,0,0,1|1,0,1]=4 5733 B14R1.292 COC(C)(C)CNCc1ccccc1 207a_100000763424_100015611070 [0,1,0,0,0,1|2,0,0]=4 5734 B14R1.292 COC(C)(C)CNCc1ccccc1 2230a_100000763424_100015291786 [0,1,0,0,0,1|2,0,0]=4 5735 B14R1.292 COC(C)(C)CNCc1ccccc1 270004a_100000763424_100015611070 [0,1,0,0,0,1|2,0,0]=4 5736 B14R1.292 COC(C)(C)CNCc1ccccc1 34a_100015324214_100000701081 [0,1,0,0,0,1|2,0,0]=4 5737 B14R1.292 COC(C)(C)COCc1ccccc1 34a_100000210790_100000701081 [0,1,0,0,0,1|2,0,0]=4 5738 B14R1.292 COC(C)(C)CSCc1ccccc1 62a_100000211182_100000701081 [0,1,0,0,0,1|2,0,0]=4 5739 B14R1.292 COC(C)(C)CSCc1ccccc1 62a_100000701081_100015291786 [0,1,0,0,0,1|2,0,0]=4 5740 B14R1.292 CSC(C)(C)CNCc1ccccc1 270004a_100015324214_100009845794 [0,1,0,0,0,1|2,0,0]=4 5741 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [0,1,0,0,0,1|1,0,1]=4 5742 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [0,1,0,0,0,1|1,0,1]=4 5743 B14R1.520 C/C=C/C(C)OCCc1ccccc1 34a_200102604097_100000765856 [0,1,0,0,0,1|1,0,0]=3 5744 B14R1.520 C=CCC(C)COCc1ccccc1 34a_100009832082_100015291786 [0,1,0,0,0,1|1,0,0]=3 5745 B14R1.520 C=CCC(C)COCc1ccccc1 7a_100009832082_100000211182 [0,1,0,0,0,1|1,0,0]=3 5746 B14R1.520 C=CCC(C)COCc1ccccn1 34a_100009832082_100000721315 [0,1,0,0,0,1|2,0,0]=4 5747 B14R1.520 C=CCC(C)COCc1ccccn1 7a_100009832082_100000721315 [0,1,0,0,0,1|2,0,0]=4 5748 B14R1.520 C=CCC(C)COCc1cccnc1 34a_100009832082_100000733263 [0,1,0,0,0,1|2,0,0]=4 5749 B14R1.520 C=CCC(C)COCc1cccnc1 7a_100009832082_100000741622 [0,1,0,0,0,1|2,0,0]=4 5750 B14R1.520 C=CCC(C)COCc1ccncc1 7a_100009832082_100015193705 [0,1,0,0,0,1|2,0,0]=4 5751 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000225617_100000211621 [0,1,0,0,0,1|2,0,0]=4 5752 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000693637_100000210623 [0,1,0,0,0,1|2,0,0]=4 5753 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000225617_100000211621 [0,1,0,0,0,1|2,0,0]=4 5754 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000693637_100000210623 [0,1,0,0,0,1|2,0,0]=4 5755 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000184383_100000210623 [0,1,0,0,0,1|2,0,0]=4 5756 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000225617_100000184471 [0,1,0,0,0,1|2,0,0]=4 5757 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000184383_100000210623 [0,1,0,0,0,1|2,0,0]=4 5758 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000225617_100000184471 [0,1,0,0,0,1|2,0,0]=4 5759 B14R1.520 C=CCN(C)CCOc1ccccc1 270004a_100000225617_100000758736 [0,1,0,0,0,1|2,0,0]=4 5760 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000225617_100000246102 [0,1,0,0,0,1|2,0,0]=4 5761 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000232750_200000210301 [0,1,0,0,0,1|2,0,0]=4 5762 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000225617_100000246102 [0,1,0,0,0,1|2,0,0]=4 5763 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000232750_200000210301 [0,1,0,0,0,1|2,0,0]=4 5764 B14R1.520 C=CCN(C)COCc1ccccc1 2230a_100000225617_100000763385 [0,1,0,0,0,1|2,0,0]=4 5765 B14R1.520 C=CCN(C)CSCc1ccccc1 2230a_100000225617_200011217039 [0,1,0,0,0,1|2,0,0]=4 5766 B14R1.520 C=CCN(C)CSCc1ccccc1 269982a_100000225617_200011217039 [0,1,0,0,0,1|2,0,0]=4 5767 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 2230a_100000232750_200025704644 [0,1,0,0,0,1|2,0,0]=4 5768 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 269982a_100000232750_200025704644 [0,1,0,0,0,1|2,0,0]=4 5769 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 34a_100000731007_100000765856 [0,1,0,0,0,1|1,0,0]=3 5770 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 7a_100000731007_100000765856 [0,1,0,0,0,1|1,0,0]=3 5771 B14R1.520 C=CC[C@@H](C)OCCc1ccccn1 7a_100000731007_100015183660 [0,1,0,0,0,1|2,0,0]=4 5772 B14R1.520 C=CC[C@@H](C)OCCc1cccnc1 7a_100000731007_200011713674 [0,1,0,0,0,1|2,0,0]=4 5773 B14R1.520 C=CC[C@@H](C)OCCc1ccncc1 7a_100000731007_100000723409 [0,1,0,0,0,1|2,0,0]=4 5774 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 34a_100020615467_100015291786 [0,1,0,0,0,1|2,0,0]=4 5775 B14R1.520 CC#CC(C)OCCc1ccccc1 34a_100011216543_100000765856 [0,1,0,0,0,1|1,0,1]=4 5776 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [0,1,0,0,0,1|1,0,1]=4 5777 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [0,1,0,0,0,1|1,0,1]=4 5778 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [0,1,0,0,0,1|1,0,1]=4 5779 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [0,1,0,0,0,1|1,0,1]=4 5780 B14R1.520 CC(CCBr)OCCc1ccccc1 34a_100012276601_100000765856 [0,1,0,0,0,1|1,0,1]=4 5781 B14R1.520 CC(CCCc1ccccc1)SCF 62a_100015361967_200010759516 [0,1,0,0,0,1|1,0,1]=4 5782 B14R1.520 CC(CCCc1ccccc1)SCF 62a_200010759516_100015361967 [0,1,0,0,0,1|1,0,1]=4 5783 B14R1.520 CC(CCN)COCc1ccccc1 34a_106354213184_100015291786 [0,1,0,0,0,1|1,0,1]=4 5784 B14R1.520 CC(CCO)NCCc1ccccc1 2230a_100000106460_100009893172 [0,1,0,0,0,1|0,0,2]=4 5785 B14R1.520 CC(CCO)NCCc1ccccc1 34a_100000106460_100009893172 [0,1,0,0,0,1|0,0,2]=4 5786 B14R1.520 CC(CCO)OCCc1ccccc1 34a_100000210268_100009893172 [0,1,0,0,0,1|0,0,2]=4 5787 B14R1.520 CC(CCO)OCCc1ccccc1 7a_100000210268_100009893172 [0,1,0,0,0,1|0,0,2]=4 5788 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100000765856_100009893172 [0,1,0,0,0,1|0,0,2]=4 5789 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100009893172_100011218657 [0,1,0,0,0,1|0,0,2]=4 5790 B14R1.520 CC(CNCc1ccccc1)CO[13CH3] 34a_100015184949_200025704644 [0,1,0,0,0,1|0,0,2]=4 5791 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_100011216253_200025704644 [0,1,0,0,0,1|0,1,1]=4 5792 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_200025704644_100011216253 [0,1,0,0,0,1|0,1,1]=4 5793 B14R1.520 CC(COCc1ccccc1)OCF 34a_100000764311_100015361967 [0,1,0,0,0,1|1,0,1]=4 5794 B14R1.520 CC(COCc1ccccc1)OCF 7a_100000764311_100015361967 [0,1,0,0,0,1|1,0,1]=4 5795 B14R1.520 CC(CO[13CH3])COCc1ccccc1 34a_200011216033_200025704644 [0,1,0,0,0,1|0,0,2]=4 5796 B14R1.520 CC(CO[13CH3])COCc1ccccc1 7a_200011216033_200025704644 [0,1,0,0,0,1|0,0,2]=4 5797 B14R1.520 CCCC(C)CNCc1ccccc1 2230a_100015324214_100011216630 [0,1,0,0,0,1|1,0,1]=4 5798 B14R1.520 CCCC(C)CNCc1ccccc1 270004a_100015324214_100000243154 [0,1,0,0,0,1|1,0,1]=4 5799 B14R1.520 CCCC(C)CNCc1ccccc1 34a_100015324214_100011216630 [0,1,0,0,0,1|1,0,1]=4 5800 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000210790_100011216630 [0,1,0,0,0,1|1,0,1]=4 5801 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000688023_100015291786 [0,1,0,0,0,1|1,0,1]=4 5802 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000210790_100011216630 [0,1,0,0,0,1|1,0,1]=4 5803 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000688023_100000211182 [0,1,0,0,0,1|1,0,1]=4 5804 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100000211182_100011216630 [0,1,0,0,0,1|1,0,1]=4 5805 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100011216630_100015291786 [0,1,0,0,0,1|1,0,1]=4 5806 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [0,1,0,0,0,1|1,0,1]=4 5807 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [0,1,0,0,0,1|1,0,1]=4 5808 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [0,1,0,0,0,1|1,0,1]=4 5809 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [0,1,0,0,0,1|1,0,1]=4 5810 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000210268_100000766640 [0,1,0,0,0,1|1,0,1]=4 5811 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000764384_100000765856 [0,1,0,0,0,1|1,0,1]=4 5812 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000210268_100000766640 [0,1,0,0,0,1|1,0,1]=4 5813 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000764384_100000765856 [0,1,0,0,0,1|1,0,1]=4 5814 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000765856_100000766640 [0,1,0,0,0,1|1,0,1]=4 5815 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000766640_100011218657 [0,1,0,0,0,1|1,0,1]=4 5816 B14R1.520 CCNC(C)CCCc1ccccc1 2230a_100015525214_200010759516 [0,1,0,0,0,1|1,0,1]=4 5817 B14R1.520 CCNC(C)COCc1ccccc1 270004a_100015525214_100011215004 [0,1,0,0,0,1|1,0,1]=4 5818 B14R1.520 CCNC(C)CSCc1ccccc1 270004a_100015525214_100000172147 [0,1,0,0,0,1|1,0,1]=4 5819 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [0,1,0,0,0,1|1,0,1]=4 5820 B14R1.520 CCOC(C)COCc1ccccc1 34a_100000764311_100000210202 [0,1,0,0,0,1|1,0,1]=4 5821 B14R1.520 CCOC(C)COCc1ccccc1 7a_100000764311_100000210202 [0,1,0,0,0,1|1,0,1]=4 5822 B14R1.520 CCSC(C)CCCc1ccccc1 62a_100000210202_200010759516 [0,1,0,0,0,1|1,0,1]=4 5823 B14R1.520 CCSC(C)CCCc1ccccc1 62a_200010759516_100000210202 [0,1,0,0,0,1|1,0,1]=4 5824 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,1,0,0,0,1|1,0,0]=3 5825 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,1,0,0,0,1|1,0,0]=3 5826 B14R1.520 CN(CC=O)CCOc1ccccc1 2230a_100000184383_200015260668 [0,1,0,0,0,1|1,0,0]=3 5827 B14R1.520 CN(CC=O)CCOc1ccccc1 269982a_100000184383_200015260668 [0,1,0,0,0,1|1,0,0]=3 5828 B14R1.520 CNCC(C)COCc1ccccc1 2230a_106832991635_100011216253 [0,1,0,0,0,1|1,0,1]=4 5829 B14R1.520 CNCC(C)COCc1ccccc1 34a_100102657272_100011216253 [0,1,0,0,0,1|1,0,1]=4 5830 B14R1.520 CNCC(C)COCc1ccccc1 7a_106832991635_100011216253 [0,1,0,0,0,1|1,0,1]=4 5831 B14R1.520 COCC(C)CNCc1ccccc1 34a_100015184949_200000210301 [0,1,0,0,0,1|0,0,2]=4 5832 B14R1.520 COCC(C)COCc1ccccc1 34a_100138415774_100011216253 [0,1,0,0,0,1|0,0,2]=4 5833 B14R1.520 COCC(C)COCc1ccccc1 34a_200011216033_200000210301 [0,1,0,0,0,1|0,0,2]=4 5834 B14R1.520 COCC(C)COCc1ccccc1 7a_200011216033_200000210301 [0,1,0,0,0,1|0,0,2]=4 5835 B14R1.520 COCC(C)NCCc1ccccc1 2230a_100000106460_100000765312 [0,1,0,0,0,1|0,0,2]=4 5836 B14R1.520 COCC(C)NCCc1ccccc1 270004a_100000106460_100000749346 [0,1,0,0,0,1|0,0,2]=4 5837 B14R1.520 COCC(C)NCCc1ccccc1 34a_100000106460_100000765312 [0,1,0,0,0,1|0,0,2]=4 5838 B14R1.520 COCC(C)OCCc1ccccc1 34a_100000210268_100000765312 [0,1,0,0,0,1|0,0,2]=4 5839 B14R1.520 COCC(C)OCCc1ccccc1 7a_100000210268_100000765312 [0,1,0,0,0,1|0,0,2]=4 5840 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765312_100011218657 [0,1,0,0,0,1|0,0,2]=4 5841 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765856_100000765312 [0,1,0,0,0,1|0,0,2]=4 5842 B14R1.520 COC[C@@H](C)NCCc1ccccc1 2230a_100000764878_100000765856 [0,1,0,0,0,1|0,0,2]=4 5843 B14R1.520 COC[C@@H](C)OCCc1ccccc1 34a_100011934205_100000765856 [0,1,0,0,0,1|0,0,2]=4 5844 B14R1.520 CSCC(C)COCc1ccccc1 62a_100011216253_200000210301 [0,1,0,0,0,1|0,1,1]=4 5845 B14R1.520 CSCC(C)COCc1ccccc1 62a_200000210301_100011216253 [0,1,0,0,0,1|0,1,1]=4 5846 B14R1.520 CSCC(C)NCCc1ccccc1 270004a_100000106460_100011216314 [0,1,0,0,0,1|0,1,1]=4 5847 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [0,1,0,0,0,1|1,0,1]=4 5848 B14R1.520 C[C@H](CCO)NCCc1ccccc1 2230a_100000706166_100000765856 [0,1,0,0,0,1|0,0,2]=4 5849 B14R1.520 C[C@H](CCO)NCCc1ccccc1 34a_100000706166_100000765856 [0,1,0,0,0,1|0,0,2]=4 5850 B14R1.546 C#CC(CC)OCCc1ccccc1 34a_100000758843_100000765856 [0,1,0,0,0,1|1,0,1]=4 5851 B14R1.546 C#CC(CC)OCCc1ccccc1 7a_100000758843_100000765856 [0,1,0,0,0,1|1,0,1]=4 5852 B14R1.546 C=CC(C=C)OCCc1ccccc1 34a_100000033096_100000765856 [0,1,0,0,0,1|1,0,1]=4 5853 B14R1.546 C=CC(CC)OCCc1ccccc1 34a_100000766422_100000765856 [0,1,0,0,0,1|1,0,0]=3 5854 B14R1.546 C=CC(CC)OCCc1ccccc1 7a_100000766422_100000765856 [0,1,0,0,0,1|1,0,0]=3 5855 B14R1.546 C=CC(CC)OCCc1ccccn1 7a_100000766422_100015183660 [0,1,0,0,0,1|2,0,0]=4 5856 B14R1.546 C=CC(CC)OCCc1cccnc1 7a_100000766422_200011713674 [0,1,0,0,0,1|2,0,0]=4 5857 B14R1.546 C=CC(CC)OCCc1ccncc1 7a_100000766422_100000723409 [0,1,0,0,0,1|2,0,0]=4 5858 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 2230a_100016989147_100000765856 [0,1,0,0,0,1|1,0,0]=3 5859 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 34a_100016989147_100000765856 [0,1,0,0,0,1|1,0,0]=3 5860 B14R1.546 C=C[C@@H](CO)NCCc1ccccn1 2230a_100016989147_100015183660 [0,1,0,0,0,1|2,0,0]=4 5861 B14R1.546 C=C[C@@H](CO)NCCc1cccnc1 2230a_100016989147_200011713674 [0,1,0,0,0,1|2,0,0]=4 5862 B14R1.546 C=C[C@@H](CO)NCCc1ccncc1 2230a_100016989147_100000723409 [0,1,0,0,0,1|2,0,0]=4 5863 B14R1.546 C=C[C@@H](CO)NCSc1ccccc1 2230a_100016989147_100011218342 [0,1,0,0,0,1|2,0,0]=4 5864 B14R1.546 CCC(CC)CNCc1ccccc1 207a_100102946423_100015611070 [0,1,0,0,0,1|1,0,1]=4 5865 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100015324214_100011215472 [0,1,0,0,0,1|1,0,1]=4 5866 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100102946423_100015291786 [0,1,0,0,0,1|1,0,1]=4 5867 B14R1.546 CCC(CC)CNCc1ccccc1 269862a_100015324214_100000211137 [0,1,0,0,0,1|1,0,1]=4 5868 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100015324214_100000211137 [0,1,0,0,0,1|1,0,1]=4 5869 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100102946423_100015611070 [0,1,0,0,0,1|1,0,1]=4 5870 B14R1.546 CCC(CC)CNCc1ccccc1 34a_100015324214_100011215472 [0,1,0,0,0,1|1,0,1]=4 5871 B14R1.546 CCC(CC)COCc1ccccc1 34a_100000210790_100011215472 [0,1,0,0,0,1|1,0,1]=4 5872 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000210790_100011215472 [0,1,0,0,0,1|1,0,1]=4 5873 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000703878_100000211182 [0,1,0,0,0,1|1,0,1]=4 5874 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100000211182_100011215472 [0,1,0,0,0,1|1,0,1]=4 5875 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100011215472_100015291786 [0,1,0,0,0,1|1,0,1]=4 5876 B14R1.546 CCC(CC)NCCc1ccccc1 2230a_100000199018_100000765856 [0,1,0,0,0,1|1,0,1]=4 5877 B14R1.546 CCC(CC)NCCc1ccccc1 270004a_100000106460_100000210860 [0,1,0,0,0,1|1,0,1]=4 5878 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000210268_100000210505 [0,1,0,0,0,1|1,0,1]=4 5879 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000688536_100000765856 [0,1,0,0,0,1|1,0,1]=4 5880 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000210505_100011218657 [0,1,0,0,0,1|1,0,1]=4 5881 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000765856_100000210505 [0,1,0,0,0,1|1,0,1]=4 5882 B14R1.546 CCC(CNCc1ccccc1)OC 207a_100000731041_100015611070 [0,1,0,0,0,1|1,0,1]=4 5883 B14R1.546 CCC(CNCc1ccccc1)OC 270004a_100000731041_100015611070 [0,1,0,0,0,1|1,0,1]=4 5884 B14R1.546 CCC(COCc1ccccc1)NC 270004a_106832991635_100011595450 [0,1,0,0,0,1|1,0,1]=4 5885 B14R1.546 CCC(COCc1ccccc1)OC 34a_100011934954_100015291786 [0,1,0,0,0,1|1,0,1]=4 5886 B14R1.546 CCC(COCc1ccccc1)OC 7a_100011934954_100000211182 [0,1,0,0,0,1|1,0,1]=4 5887 B14R1.546 CC[C@@H](CO)NCCc1ccccc1 2230a_100000709445_100000765856 [0,1,0,0,0,1|0,0,2]=4 5888 B14R1.546 CN[C@H](CO)COCc1ccccc1 2230a_100016995297_200000210301 [0,1,0,0,0,1|0,0,2]=4 5889 B14R1.546 CN[C@H](CO)COCc1ccccc1 34a_100016995297_200000210301 [0,1,0,0,0,1|0,0,2]=4 5890 B14R1.546 COC(CCNc1ccccc1)OC 34a_100000106764_100000139399 [0,1,0,0,0,1|2,0,0]=4 5891 B14R1.546 COC(CCOc1ccccc1)OC 34a_100000210340_100000139399 [0,1,0,0,0,1|2,0,0]=4 5892 B14R1.546 COC(CCOc1ccccc1)OC 7a_100000210340_100009813347 [0,1,0,0,0,1|2,0,0]=4 5893 B14R1.546 COC(CCSc1ccccc1)OC 62a_100000139399_100000041952 [0,1,0,0,0,1|2,0,0]=4 5894 B14R1.546 COC(CCSc1ccccc1)OC 62a_100000719477_100000139399 [0,1,0,0,0,1|2,0,0]=4 5895 B14R1.546 COC(CNCc1ccccc1)OC 207a_100000210479_100015611070 [0,1,0,0,0,1|2,0,0]=4 5896 B14R1.546 COC(CNCc1ccccc1)OC 2230a_100015324214_100000751394 [0,1,0,0,0,1|2,0,0]=4 5897 B14R1.546 COC(CNCc1ccccc1)OC 270004a_100000210479_100015611070 [0,1,0,0,0,1|2,0,0]=4 5898 B14R1.546 COC(CNCc1ccccc1)OC 270004a_100015324214_100000752162 [0,1,0,0,0,1|2,0,0]=4 5899 B14R1.546 COC(CNCc1ccccc1)OC 34a_100015324214_100000211822 [0,1,0,0,0,1|2,0,0]=4 5900 B14R1.546 COC(COCc1ccccc1)OC 34a_100000210790_100000211822 [0,1,0,0,0,1|2,0,0]=4 5901 B14R1.546 COC(COCc1ccccc1)OC 34a_100011216393_100015291786 [0,1,0,0,0,1|2,0,0]=4 5902 B14R1.546 COC(COCc1ccccc1)OC 7a_100000210790_100000751394 [0,1,0,0,0,1|2,0,0]=4 5903 B14R1.546 COC(CSCc1ccccc1)OC 62a_100000211182_100000751394 [0,1,0,0,0,1|2,0,0]=4 5904 B14R1.546 COC(CSCc1ccccc1)OC 62a_100000751394_100015291786 [0,1,0,0,0,1|2,0,0]=4 5905 B14R1.546 ClCC(CCl)OCCc1ccccc1 7a_100000737055_100000765856 [0,1,0,0,0,1|1,0,1]=4 5906 B14R1.546 FCC(CF)OCCc1ccccc1 34a_100000032261_100000765856 [0,1,0,0,0,1|1,0,1]=4 5907 B14R1.546 FCC(CF)OCCc1ccccc1 7a_100000032261_100000765856 [0,1,0,0,0,1|1,0,1]=4 5908 B14R1.546 FC[C@@H](CCl)OCCc1ccccc1 34a_100015614560_100000765856 [0,1,0,0,0,1|1,0,1]=4 5909 B14R1.546 FC[C@@H](CCl)OCCc1ccccc1 7a_100015614560_100000765856 [0,1,0,0,0,1|1,0,1]=4 5910 B14R1.546 NCC(CN)OCCc1ccccc1 34a_100000031598_100000765856 [0,1,0,0,0,1|1,0,1]=4 5911 B14R1.546 O=CC(C=O)NCCc1ccccc1 2230a_100000106460_100000736813 [0,1,0,0,0,1|0,0,1]=3 5912 B14R1.546 O=CC(C=O)NCCc1ccccc1 34a_100000106460_100000736813 [0,1,0,0,0,1|0,0,1]=3 5913 B14R1.546 O=CC(C=O)NCCc1cccnc1 2230a_100000736294_100000736813 [0,1,0,0,0,1|1,0,1]=4 5914 B14R1.546 O=CC(C=O)OCCc1ccccc1 34a_100000210268_100000736813 [0,1,0,0,0,1|0,0,1]=3 5915 B14R1.546 O=CC(C=O)OCCc1ccccn1 34a_100000210271_100000736813 [0,1,0,0,0,1|1,0,1]=4 5916 B14R1.546 O=CC(C=O)OCCc1cccnc1 34a_100011217484_100000736813 [0,1,0,0,0,1|1,0,1]=4 5917 B14R1.546 O=CC(C=O)OCCc1ccncc1 34a_100011216225_100000736813 [0,1,0,0,0,1|1,0,1]=4 5918 B14R1.546 O=CC(C=O)SCCc1ccccc1 62a_100000736813_100011218657 [0,1,0,0,0,1|0,0,1]=3 5919 B14R1.546 O=CC(C=O)SCCc1ccccc1 62a_100000765856_100000736813 [0,1,0,0,0,1|0,0,1]=3 5920 B14R1.546 O=CC(C=O)SCCc1ccccn1 62a_100000736813_100015183660 [0,1,0,0,0,1|1,0,1]=4 5921 B14R1.546 O=CC(C=O)SCCc1ccccn1 62a_100015183660_100000736813 [0,1,0,0,0,1|1,0,1]=4 5922 B14R1.546 O=CC(C=O)SCCc1cccnc1 62a_100000736813_200011713674 [0,1,0,0,0,1|1,0,1]=4 5923 B14R1.546 O=CC(C=O)SCCc1cccnc1 62a_200011713674_100000736813 [0,1,0,0,0,1|1,0,1]=4 5924 B14R1.546 O=CC(C=O)SCCc1ccncc1 62a_100000723409_100000736813 [0,1,0,0,0,1|1,0,1]=4 5925 B14R1.546 O=CC(C=O)SCCc1ccncc1 62a_100000736813_100000723409 [0,1,0,0,0,1|1,0,1]=4 5926 B14R1.546 O=CC(C=O)SCSc1ccccc1 62a_100000736813_100011218342 [0,1,0,0,0,1|1,0,1]=4 5927 B14R1.546 O=CC(C=O)SCSc1ccccc1 62a_100011218342_100000736813 [0,1,0,0,0,1|1,0,1]=4 5928 B14R1.546 OCC(CO)NCCc1ccccc1 2230a_100000759517_100000765856 [0,1,0,0,0,1|0,0,2]=4 5929 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 2230a_100016995297_200025704644 [0,1,0,0,0,1|0,0,2]=4 5930 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 34a_100016995297_200025704644 [0,1,0,0,0,1|0,0,2]=4 5931 B14R1.743 C#CC(C)NC(C)Cc1ccccc1 34a_100000707721_200011218536 [0,1,0,0,0,1|1,0,1]=4 5932 B14R1.743 C#CC(C)OC(C)Cc1ccccc1 34a_100000748627_200000035995 [0,1,0,0,0,1|1,0,1]=4 5933 B14R1.743 C#CC(C)SC(C)Cc1ccccc1 62a_200000035995_200011218536 [0,1,0,0,0,1|1,0,1]=4 5934 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 34a_100009815206_200011218536 [0,1,0,0,0,1|1,0,1]=4 5935 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 7a_100009815206_200011218536 [0,1,0,0,0,1|1,0,1]=4 5936 B14R1.743 C=CC(C)CC(=O)Cc1ccccc1 1458a_100011934298_100015291786 [0,1,0,0,0,1|1,0,0]=3 5937 B14R1.743 C=CC(C)CC(=O)Cc1ccccn1 1458a_100011934298_100000721315 [0,1,0,0,0,1|2,0,0]=4 5938 B14R1.743 C=CC(C)CC(=O)Cc1cccnc1 1458a_100011934298_100000733263 [0,1,0,0,0,1|2,0,0]=4 5939 B14R1.743 C=CC(C)CC(=O)Cc1ccncc1 1458a_100011934298_100000705612 [0,1,0,0,0,1|2,0,0]=4 5940 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100011934298 [0,1,0,0,0,1|1,0,1]=4 5941 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100011934298 [0,1,0,0,0,1|1,0,1]=4 5942 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100011934298 [0,1,0,0,0,1|1,0,1]=4 5943 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100011934298 [0,1,0,0,0,1|1,0,1]=4 5944 B14R1.743 C=CC(C)OC(C)Cc1ccccc1 34a_100000695699_200011218536 [0,1,0,0,0,1|1,0,0]=3 5945 B14R1.743 C=CC(C)SC(C)Cc1ccccc1 62a_100011215867_200011218536 [0,1,0,0,0,1|1,0,0]=3 5946 B14R1.743 C=CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100000730141 [0,1,0,0,0,1|2,0,0]=4 5947 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 34a_100011218135_200011218536 [0,1,0,0,0,1|1,0,1]=4 5948 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 7a_100000748627_100000703298 [0,1,0,0,0,1|1,0,1]=4 5949 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_100000703298_200011218536 [0,1,0,0,0,1|1,0,1]=4 5950 B14R1.743 CC(C#N)SC(C)Cc1ccccc1 62a_200011218536_100000703298 [0,1,0,0,0,1|1,0,1]=4 5951 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [0,1,0,0,0,1|1,0,1]=4 5952 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [0,1,0,0,0,1|1,0,1]=4 5953 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,1,0,0,0,1|1,0,1]=4 5954 B14R1.743 CC(CO)CN(C)Cc1ccccc1 2230a_100015184949_200000210301 [0,1,0,0,0,1|0,0,2]=4 5955 B14R1.743 CC(CO)CN(C)Cc1ccccc1 269982a_100015184949_200000210301 [0,1,0,0,0,1|0,0,2]=4 5956 B14R1.743 CC(CO)CN(C)Cc1ccccc1 34a_100015184949_200000210301 [0,1,0,0,0,1|0,0,2]=4 5957 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 2230a_100015184949_200025704644 [0,1,0,0,0,1|0,0,2]=4 5958 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 269982a_100015184949_200025704644 [0,1,0,0,0,1|0,0,2]=4 5959 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 34a_100015184949_200025704644 [0,1,0,0,0,1|0,0,2]=4 5960 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [0,1,0,0,0,1|0,0,2]=4 5961 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [0,1,0,0,0,1|0,0,2]=4 5962 B14R1.743 CC(CO)SC(C)Cc1ccccc1 62a_100012180447_200011218536 [0,1,0,0,0,1|0,0,2]=4 5963 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_100016084084_200011218536 [0,1,0,0,0,1|0,0,2]=4 5964 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_200011218536_100016084084 [0,1,0,0,0,1|0,0,2]=4 5965 B14R1.743 CCC(C)CC(=O)Cc1ccccc1 1458a_100000708755_100015291786 [0,1,0,0,0,1|1,0,1]=4 5966 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748023 [0,1,0,0,0,1|1,0,1]=4 5967 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000753921_100015291786 [0,1,0,0,0,1|1,0,1]=4 5968 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748023 [0,1,0,0,0,1|1,0,1]=4 5969 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000753921_100000211182 [0,1,0,0,0,1|1,0,1]=4 5970 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243153 [0,1,0,0,0,1|1,0,1]=4 5971 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000753921_100015611070 [0,1,0,0,0,1|1,0,1]=4 5972 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,1,0,0,0,1|1,0,1]=4 5973 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,1,0,0,0,1|1,0,1]=4 5974 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,1,0,0,0,1|1,0,1]=4 5975 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [0,1,0,0,0,1|1,0,1]=4 5976 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [0,1,0,0,0,1|1,0,1]=4 5977 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 2230a_100000186898_100009816398 [0,1,0,0,0,1|1,0,1]=4 5978 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 269982a_100000186898_100009816398 [0,1,0,0,0,1|1,0,1]=4 5979 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_100009879195_200011218536 [0,1,0,0,0,1|2,0,0]=4 5980 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_200011218536_100009879195 [0,1,0,0,0,1|2,0,0]=4 5981 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 2230a_100000186898_100000059175 [0,1,0,0,0,1|0,0,2]=4 5982 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 269982a_100000186898_100000059175 [0,1,0,0,0,1|0,0,2]=4 5983 B14R1.756 C#CC(C)C(=O)CCc1ccccc1 1458a_100000185753_200000035995 [0,1,0,0,0,1|1,0,1]=4 5984 B14R1.756 C/C=C(\C)/C(=O)CCc1ccccc1 1458a_100020587367_100000765856 [0,1,0,0,0,1|1,0,1]=4 5985 B14R1.756 C/C=C(\C)/C(C)NCc1ccccc1 269862a_100015324214_100020675665 [0,1,0,0,0,1|1,0,1]=4 5986 B14R1.756 C=CC(C)C(=O)CCc1ccccc1 1458a_100011216780_100000765856 [0,1,0,0,0,1|1,0,0]=3 5987 B14R1.756 C=CC(C)C(=O)CCc1ccccn1 1458a_100011216780_100015183660 [0,1,0,0,0,1|2,0,0]=4 5988 B14R1.756 C=CC(C)C(=O)CCc1cccnc1 1458a_100011216780_200011713674 [0,1,0,0,0,1|2,0,0]=4 5989 B14R1.756 C=CC(C)C(=O)CCc1ccncc1 1458a_100011216780_100000723409 [0,1,0,0,0,1|2,0,0]=4 5990 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 11a_100015324214_100011216780 [0,1,0,0,0,1|1,0,1]=4 5991 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100011216780 [0,1,0,0,0,1|1,0,1]=4 5992 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100011216780 [0,1,0,0,0,1|1,0,1]=4 5993 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 527a_100015324214_100011216780 [0,1,0,0,0,1|1,0,1]=4 5994 B14R1.756 C=CC(C)N(C)CCc1ccccc1 269982a_100000207497_100011215867 [0,1,0,0,0,1|1,0,0]=3 5995 B14R1.756 C=CC(C)N(C)CCc1ccccn1 269982a_100000737206_100011215867 [0,1,0,0,0,1|2,0,0]=4 5996 B14R1.756 C=CC(C)N(C)CCc1cccnc1 269982a_100000763209_100011215867 [0,1,0,0,0,1|2,0,0]=4 5997 B14R1.756 C=CC(C)N(C)CCc1ccncc1 269982a_100000742850_100011215867 [0,1,0,0,0,1|2,0,0]=4 5998 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccc1 34a_100015455354_100015291786 [0,1,0,0,0,1|1,0,0]=3 5999 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccc1 7a_100015455354_100000211182 [0,1,0,0,0,1|1,0,0]=3 6000 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccn1 34a_100015455354_100000721315 [0,1,0,0,0,1|2,0,0]=4 6001 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccccn1 7a_100015455354_100000721315 [0,1,0,0,0,1|2,0,0]=4 6002 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1cccnc1 34a_100015455354_100000733263 [0,1,0,0,0,1|2,0,0]=4 6003 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1cccnc1 7a_100015455354_100000741622 [0,1,0,0,0,1|2,0,0]=4 6004 B14R1.756 C=C[C@@H](C)[C@@H](C)OCc1ccncc1 7a_100015455354_100015193705 [0,1,0,0,0,1|2,0,0]=4 6005 B14R1.756 CC(C#N)C(=O)CCc1ccccc1 1458a_100000185753_100000703298 [0,1,0,0,0,1|1,0,1]=4 6006 B14R1.756 CC(C#N)C(=O)CCc1ccccc1 1458a_100000753662_100000765856 [0,1,0,0,0,1|1,0,1]=4 6007 B14R1.756 CC(C#N)N(C)CCc1ccccc1 2230a_100000207497_100000184139 [0,1,0,0,0,1|1,0,1]=4 6008 B14R1.756 CC(C#N)N(C)CCc1ccccc1 269982a_100000207497_100000703298 [0,1,0,0,0,1|1,0,1]=4 6009 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000207497_100012180447 [0,1,0,0,0,1|0,0,2]=4 6010 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000693034_100000765856 [0,1,0,0,0,1|0,0,2]=4 6011 B14R1.756 CC(CO)N(C)CCc1ccccc1 269982a_100000693034_100000765856 [0,1,0,0,0,1|0,0,2]=4 6012 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000758301 [0,1,0,0,0,1|1,0,1]=4 6013 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100011192722_100000765856 [0,1,0,0,0,1|1,0,1]=4 6014 B14R1.756 CCC(C)C(C)NCc1ccccc1 269862a_100015324214_100000210599 [0,1,0,0,0,1|1,0,1]=4 6015 B14R1.756 CCC(C)C(C)NCc1ccccc1 270004a_100015324214_100000210599 [0,1,0,0,0,1|1,0,1]=4 6016 B14R1.756 CCC(C)C(C)OCc1ccccc1 7a_100011215189_100000211182 [0,1,0,0,0,1|1,0,1]=4 6017 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000207497_100000758301 [0,1,0,0,0,1|1,0,1]=4 6018 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000741768_100000765856 [0,1,0,0,0,1|1,0,1]=4 6019 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000207497_100000758301 [0,1,0,0,0,1|1,0,1]=4 6020 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000741768_100000765856 [0,1,0,0,0,1|1,0,1]=4 6021 B14R1.756 COC(C)C(=O)CCc1ccccc1 1458a_100000743197_100000765856 [0,1,0,0,0,1|2,0,0]=4 6022 B14R1.756 COC(C)N(C)CCc1ccccc1 269982a_100000207497_100009879195 [0,1,0,0,0,1|2,0,0]=4 6023 B14R1.756 CSC(C)C(=O)CCc1ccccc1 1458a_100000149566_100000765856 [0,1,0,0,0,1|2,0,0]=4 6024 B14R1.756 C[C@H](CO)N(C)CCc1ccccc1 269982a_100000207497_100016084084 [0,1,0,0,0,1|0,0,2]=4 6025 B14R1.837 C#CC(C)NCCc1ccccc1Br 2230a_100000707721_100012161201 [0,1,0,0,0,1|1,0,1]=4 6026 B14R1.837 C#CC(C)NCCc1ccccc1Br 34a_100000707721_100012161201 [0,1,0,0,0,1|1,0,1]=4 6027 B14R1.837 C#CC(C)NCCc1ccccc1Br 34a_100000747383_200000035995 [0,1,0,0,0,1|1,0,1]=4 6028 B14R1.837 C#CC(C)NCCc1ccccc1C 2230a_100000707721_100011713688 [0,1,0,0,0,1|1,0,1]=4 6029 B14R1.837 C#CC(C)NCCc1ccccc1C 34a_100000685071_200000035995 [0,1,0,0,0,1|1,0,1]=4 6030 B14R1.837 C#CC(C)NCCc1ccccc1C 34a_100000707721_100011713688 [0,1,0,0,0,1|1,0,1]=4 6031 B14R1.837 C#CC(C)NCCc1ccccc1Cl 2230a_100000707721_100011713703 [0,1,0,0,0,1|1,0,1]=4 6032 B14R1.837 C#CC(C)NCCc1ccccc1Cl 270004a_100000707721_200011713468 [0,1,0,0,0,1|1,0,1]=4 6033 B14R1.837 C#CC(C)NCCc1ccccc1Cl 34a_100000707721_100011713703 [0,1,0,0,0,1|1,0,1]=4 6034 B14R1.837 C#CC(C)NCCc1ccccc1Cl 34a_100011207228_200000035995 [0,1,0,0,0,1|1,0,1]=4 6035 B14R1.837 C#CC(C)NCCc1ccccc1F 2230a_100000707721_100011713696 [0,1,0,0,0,1|1,0,1]=4 6036 B14R1.837 C#CC(C)NCCc1ccccc1F 34a_100000185272_200000035995 [0,1,0,0,0,1|1,0,1]=4 6037 B14R1.837 C#CC(C)NCCc1ccccc1F 34a_100000707721_100000720011 [0,1,0,0,0,1|1,0,1]=4 6038 B14R1.837 C#CC(C)NCCc1ccccc1O 34a_100000707721_100000722297 [0,1,0,0,0,1|1,0,1]=4 6039 B14R1.837 C#CC(C)NCCc1ccccc1O 34a_100011207237_200000035995 [0,1,0,0,0,1|1,0,1]=4 6040 B14R1.837 C#CC(C)OCCc1ccccc1Br 34a_100000731337_200000035995 [0,1,0,0,0,1|1,0,1]=4 6041 B14R1.837 C#CC(C)OCCc1ccccc1C 34a_100011220023_200000035995 [0,1,0,0,0,1|1,0,1]=4 6042 B14R1.837 C#CC(C)OCCc1ccccc1Cl 34a_100011215284_200000035995 [0,1,0,0,0,1|1,0,1]=4 6043 B14R1.837 C#CC(C)OCCc1ccccc1F 34a_100000753711_200000035995 [0,1,0,0,0,1|1,0,1]=4 6044 B14R1.837 C#CC(C)OCCc1ccccc1I 34a_100010255290_200000035995 [0,1,0,0,0,1|1,0,1]=4 6045 B14R1.837 C#CC(C)OCCc1ccccc1N 34a_100011215289_200000035995 [0,1,0,0,0,1|1,0,1]=4 6046 B14R1.837 C#CC(C)SCCc1ccccc1Br 62a_200000035995_100012161201 [0,1,0,0,0,1|1,0,1]=4 6047 B14R1.837 C#CC(C)SCCc1ccccc1C 62a_200000035995_100011713688 [0,1,0,0,0,1|1,0,1]=4 6048 B14R1.837 C#CC(C)SCCc1ccccc1Cl 62a_200000035995_100011713703 [0,1,0,0,0,1|1,0,1]=4 6049 B14R1.837 C#CC(C)SCCc1ccccc1F 62a_200000035995_100011713696 [0,1,0,0,0,1|1,0,1]=4 6050 B14R1.837 C#CC(C)SCCc1ccccc1O 62a_200000035995_100000722297 [0,1,0,0,0,1|1,0,1]=4 6051 B14R1.837 C#C[C@@H](C)OCCc1ccccc1Br 34a_100009815206_100012161201 [0,1,0,0,0,1|1,0,1]=4 6052 B14R1.837 C#C[C@@H](C)OCCc1ccccc1Br 7a_100009815206_100012161201 [0,1,0,0,0,1|1,0,1]=4 6053 B14R1.837 C#C[C@@H](C)OCCc1ccccc1C 34a_100009815206_100011713688 [0,1,0,0,0,1|1,0,1]=4 6054 B14R1.837 C#C[C@@H](C)OCCc1ccccc1C 7a_100009815206_100011713688 [0,1,0,0,0,1|1,0,1]=4 6055 B14R1.837 C#C[C@@H](C)OCCc1ccccc1Cl 34a_100009815206_100011713703 [0,1,0,0,0,1|1,0,1]=4 6056 B14R1.837 C#C[C@@H](C)OCCc1ccccc1Cl 7a_100009815206_100011713703 [0,1,0,0,0,1|1,0,1]=4 6057 B14R1.837 C#C[C@@H](C)OCCc1ccccc1F 34a_100009815206_100000720011 [0,1,0,0,0,1|1,0,1]=4 6058 B14R1.837 C#C[C@@H](C)OCCc1ccccc1F 7a_100009815206_100000720011 [0,1,0,0,0,1|1,0,1]=4 6059 B14R1.837 C#C[C@@H](C)OCCc1ccccc1O 34a_100009815206_100000722297 [0,1,0,0,0,1|1,0,1]=4 6060 B14R1.837 C#C[C@@H](C)OCCc1ccccc1O 7a_100009815206_100000722297 [0,1,0,0,0,1|1,0,1]=4 6061 B14R1.837 C=CC(C)COCc1ccccc1Br 34a_100011215527_100000184730 [0,1,0,0,0,1|1,0,0]=3 6062 B14R1.837 C=CC(C)COCc1ccccc1Br 7a_100011215527_100000184730 [0,1,0,0,0,1|1,0,0]=3 6063 B14R1.837 C=CC(C)COCc1ccccc1C 34a_100011215527_100000211839 [0,1,0,0,0,1|1,0,0]=3 6064 B14R1.837 C=CC(C)COCc1ccccc1C 7a_100011215527_100000211839 [0,1,0,0,0,1|1,0,0]=3 6065 B14R1.837 C=CC(C)COCc1ccccc1Cl 34a_100011215527_100000187162 [0,1,0,0,0,1|1,0,0]=3 6066 B14R1.837 C=CC(C)COCc1ccccc1Cl 7a_100011215527_100000187162 [0,1,0,0,0,1|1,0,0]=3 6067 B14R1.837 C=CC(C)COCc1ccccc1F 34a_100011215527_100000211605 [0,1,0,0,0,1|1,0,0]=3 6068 B14R1.837 C=CC(C)COCc1ccccc1F 7a_100011215527_100000211605 [0,1,0,0,0,1|1,0,0]=3 6069 B14R1.837 C=CC(C)COCc1ccccc1I 34a_100011215527_100011215278 [0,1,0,0,0,1|1,0,0]=3 6070 B14R1.837 C=CC(C)COCc1ccccc1I 7a_100011215527_100011215278 [0,1,0,0,0,1|1,0,0]=3 6071 B14R1.837 C=CC(C)COCc1cccnc1Br 34a_100011215527_100010140945 [0,1,0,0,0,1|2,0,0]=4 6072 B14R1.837 C=CC(C)COCc1cccnc1Br 7a_100011215527_100010140945 [0,1,0,0,0,1|2,0,0]=4 6073 B14R1.837 C=CC(C)COCc1cccnc1C 34a_100011215527_100000732876 [0,1,0,0,0,1|2,0,0]=4 6074 B14R1.837 C=CC(C)COCc1cccnc1C 7a_100011215527_100000732876 [0,1,0,0,0,1|2,0,0]=4 6075 B14R1.837 C=CC(C)COCc1cccnc1Cl 34a_100011215527_100000045678 [0,1,0,0,0,1|2,0,0]=4 6076 B14R1.837 C=CC(C)COCc1cccnc1Cl 7a_100011215527_100000045678 [0,1,0,0,0,1|2,0,0]=4 6077 B14R1.837 C=CC(C)COCc1cccnc1F 34a_100011215527_100000099810 [0,1,0,0,0,1|2,0,0]=4 6078 B14R1.837 C=CC(C)COCc1cccnc1F 7a_100011215527_100000099810 [0,1,0,0,0,1|2,0,0]=4 6079 B14R1.837 C=CC(C)COCc1ccncc1C 34a_100011215527_100020672809 [0,1,0,0,0,1|2,0,0]=4 6080 B14R1.837 C=CC(C)COCc1ccncc1C 7a_100011215527_100020672808 [0,1,0,0,0,1|2,0,0]=4 6081 B14R1.837 C=CC(C)COCc1ccncc1Cl 7a_100011215527_100000763264 [0,1,0,0,0,1|2,0,0]=4 6082 B14R1.837 C=CC(C)COCc1cnccc1C 34a_100011215527_100000690890 [0,1,0,0,0,1|2,0,0]=4 6083 B14R1.837 C=CC(C)COCc1cnccc1C 7a_100011215527_100000690890 [0,1,0,0,0,1|2,0,0]=4 6084 B14R1.837 C=CC(C)COCc1ncccc1Br 34a_100011215527_100025702911 [0,1,0,0,0,1|2,0,0]=4 6085 B14R1.837 C=CC(C)COCc1ncccc1Br 7a_100011215527_100025702911 [0,1,0,0,0,1|2,0,0]=4 6086 B14R1.837 C=CC(C)COCc1ncccc1C 34a_100011215527_100000696600 [0,1,0,0,0,1|2,0,0]=4 6087 B14R1.837 C=CC(C)COCc1ncccc1C 7a_100011215527_100000696600 [0,1,0,0,0,1|2,0,0]=4 6088 B14R1.837 C=CC(C)COCc1ncccc1Cl 7a_100011215527_100000099807 [0,1,0,0,0,1|2,0,0]=4 6089 B14R1.837 C=CC(C)COCc1ncccc1F 34a_100011215527_100000104219 [0,1,0,0,0,1|2,0,0]=4 6090 B14R1.837 C=CC(C)COCc1ncccc1F 7a_100011215527_100000104219 [0,1,0,0,0,1|2,0,0]=4 6091 B14R1.837 C=CC(C)COCc1ncccc1O 34a_100011215527_200020655725 [0,1,0,0,0,1|2,0,0]=4 6092 B14R1.837 C=CC(C)COCc1ncccc1O 7a_100011215527_200020655725 [0,1,0,0,0,1|2,0,0]=4 6093 B14R1.837 C=CC(C)OCCc1ccccc1Br 34a_100000695699_100012161201 [0,1,0,0,0,1|1,0,0]=3 6094 B14R1.837 C=CC(C)OCCc1ccccc1C 34a_100000695699_100011713688 [0,1,0,0,0,1|1,0,0]=3 6095 B14R1.837 C=CC(C)OCCc1ccccc1Cl 34a_100000695699_100011713703 [0,1,0,0,0,1|1,0,0]=3 6096 B14R1.837 C=CC(C)OCCc1ccccc1F 34a_100000695699_100000720011 [0,1,0,0,0,1|1,0,0]=3 6097 B14R1.837 C=CC(C)OCCc1ccccc1O 34a_100000695699_100000722297 [0,1,0,0,0,1|1,0,0]=3 6098 B14R1.837 C=CC(C)SCCc1ccccc1Br 62a_100011215867_100012161201 [0,1,0,0,0,1|1,0,0]=3 6099 B14R1.837 C=CC(C)SCCc1ccccc1C 62a_100011215867_100011713688 [0,1,0,0,0,1|1,0,0]=3 6100 B14R1.837 C=CC(C)SCCc1ccccc1Cl 62a_100011215867_100011713703 [0,1,0,0,0,1|1,0,0]=3 6101 B14R1.837 C=CC(C)SCCc1ccccc1F 62a_100011215867_100011713696 [0,1,0,0,0,1|1,0,0]=3 6102 B14R1.837 C=CC(C)SCCc1ccccc1O 62a_100011215867_100000722297 [0,1,0,0,0,1|1,0,0]=3 6103 B14R1.837 C=CC(O)CNCc1ccccc1Br 2230a_100000689332_100000730141 [0,1,0,0,0,1|2,0,0]=4 6104 B14R1.837 C=CC(O)CNCc1ccccc1Br 34a_100000689332_100000730141 [0,1,0,0,0,1|2,0,0]=4 6105 B14R1.837 C=CC(O)CNCc1ccccc1C 34a_100000174972_100000730141 [0,1,0,0,0,1|2,0,0]=4 6106 B14R1.837 C=CC(O)CNCc1ccccc1Cl 2230a_100000174879_100000730141 [0,1,0,0,0,1|2,0,0]=4 6107 B14R1.837 C=CC(O)CNCc1ccccc1Cl 34a_100000174879_100000730141 [0,1,0,0,0,1|2,0,0]=4 6108 B14R1.837 C=CC(O)CNCc1ccccc1F 34a_100000174869_100000730141 [0,1,0,0,0,1|2,0,0]=4 6109 B14R1.837 C=CC(O)CNCc1ccccc1O 34a_100000185550_100000730141 [0,1,0,0,0,1|2,0,0]=4 6110 B14R1.837 C=CC(O)COCc1ccccc1Br 34a_100000756307_100000730141 [0,1,0,0,0,1|2,0,0]=4 6111 B14R1.837 C=CC(O)COCc1ccccc1Br 7a_100000756307_100000730141 [0,1,0,0,0,1|2,0,0]=4 6112 B14R1.837 C=CC(O)COCc1ccccc1C 34a_100000698903_100000730141 [0,1,0,0,0,1|2,0,0]=4 6113 B14R1.837 C=CC(O)COCc1ccccc1C 7a_100000698903_100000730141 [0,1,0,0,0,1|2,0,0]=4 6114 B14R1.837 C=CC(O)COCc1ccccc1Cl 34a_100000210847_100000730141 [0,1,0,0,0,1|2,0,0]=4 6115 B14R1.837 C=CC(O)COCc1ccccc1Cl 7a_100000210847_100000730141 [0,1,0,0,0,1|2,0,0]=4 6116 B14R1.837 C=CC(O)COCc1ccccc1F 34a_100000211962_100000730141 [0,1,0,0,0,1|2,0,0]=4 6117 B14R1.837 C=CC(O)COCc1ccccc1F 7a_100000211962_100000730141 [0,1,0,0,0,1|2,0,0]=4 6118 B14R1.837 C=CC(O)COCc1ccccc1I 34a_100000187465_100000730141 [0,1,0,0,0,1|2,0,0]=4 6119 B14R1.837 C=CC(O)COCc1ccccc1I 7a_100000187465_100000730141 [0,1,0,0,0,1|2,0,0]=4 6120 B14R1.837 C=CC(O)COCc1ccccc1N 34a_100000212039_100000730141 [0,1,0,0,0,1|2,0,0]=4 6121 B14R1.837 C=CC(O)CSCc1ccccc1Br 62a_100000184730_100000730141 [0,1,0,0,0,1|2,0,0]=4 6122 B14R1.837 C=CC(O)CSCc1ccccc1Br 62a_100000730141_100000184730 [0,1,0,0,0,1|2,0,0]=4 6123 B14R1.837 C=CC(O)CSCc1ccccc1C 62a_100000211839_100000730141 [0,1,0,0,0,1|2,0,0]=4 6124 B14R1.837 C=CC(O)CSCc1ccccc1C 62a_100000730141_100000211839 [0,1,0,0,0,1|2,0,0]=4 6125 B14R1.837 C=CC(O)CSCc1ccccc1Cl 62a_100000187162_100000730141 [0,1,0,0,0,1|2,0,0]=4 6126 B14R1.837 C=CC(O)CSCc1ccccc1Cl 62a_100000730141_100000187162 [0,1,0,0,0,1|2,0,0]=4 6127 B14R1.837 C=CC(O)CSCc1ccccc1F 62a_100000211605_100000730141 [0,1,0,0,0,1|2,0,0]=4 6128 B14R1.837 C=CC(O)CSCc1ccccc1F 62a_100000730141_100000211605 [0,1,0,0,0,1|2,0,0]=4 6129 B14R1.837 C=CC(O)CSCc1ccccc1I 62a_100000730141_100011216222 [0,1,0,0,0,1|2,0,0]=4 6130 B14R1.837 C=CC(O)CSCc1ccccc1I 62a_100011216222_100000730141 [0,1,0,0,0,1|2,0,0]=4 6131 B14R1.837 C=C[C@H](N)COCc1ccccc1Br 34a_100016989147_100000184730 [0,1,0,0,0,1|2,0,0]=4 6132 B14R1.837 C=C[C@H](N)COCc1ccccc1C 34a_100016989147_100000211839 [0,1,0,0,0,1|2,0,0]=4 6133 B14R1.837 C=C[C@H](N)COCc1ccccc1Cl 34a_100016989147_100000187162 [0,1,0,0,0,1|2,0,0]=4 6134 B14R1.837 C=C[C@H](N)COCc1ccccc1F 34a_100016989147_100000211605 [0,1,0,0,0,1|2,0,0]=4 6135 B14R1.837 C=C[C@H](N)COCc1ccccc1I 34a_100016989147_100011215278 [0,1,0,0,0,1|2,0,0]=4 6136 B14R1.837 CC(C#N)NCCc1ccccc1Br 2230a_100000737613_100012161201 [0,1,0,0,0,1|1,0,1]=4 6137 B14R1.837 CC(C#N)NCCc1ccccc1Br 2230a_100000747383_100000184139 [0,1,0,0,0,1|1,0,1]=4 6138 B14R1.837 CC(C#N)NCCc1ccccc1Cl 2230a_100000737613_100011713703 [0,1,0,0,0,1|1,0,1]=4 6139 B14R1.837 CC(C#N)NCCc1ccccc1Cl 2230a_100011207228_100000184139 [0,1,0,0,0,1|1,0,1]=4 6140 B14R1.837 CC(C#N)NCCc1ccccc1F 2230a_100000185272_100000184139 [0,1,0,0,0,1|1,0,1]=4 6141 B14R1.837 CC(C#N)NCCc1ccccc1F 2230a_100000737613_100011713696 [0,1,0,0,0,1|1,0,1]=4 6142 B14R1.837 CC(C#N)OCCc1ccccc1Br 34a_100011218135_100012161201 [0,1,0,0,0,1|1,0,1]=4 6143 B14R1.837 CC(C#N)OCCc1ccccc1Br 7a_100000731337_100000703298 [0,1,0,0,0,1|1,0,1]=4 6144 B14R1.837 CC(C#N)OCCc1ccccc1Cl 34a_100011218135_100011713703 [0,1,0,0,0,1|1,0,1]=4 6145 B14R1.837 CC(C#N)OCCc1ccccc1Cl 7a_100011215284_100000703298 [0,1,0,0,0,1|1,0,1]=4 6146 B14R1.837 CC(C#N)OCCc1ccccc1F 34a_100011218135_100000720011 [0,1,0,0,0,1|1,0,1]=4 6147 B14R1.837 CC(C#N)OCCc1ccccc1F 7a_100000753711_100000703298 [0,1,0,0,0,1|1,0,1]=4 6148 B14R1.837 CC(C#N)OCCc1ccccc1I 7a_100010255290_100000703298 [0,1,0,0,0,1|1,0,1]=4 6149 B14R1.837 CC(C#N)OCCc1ccccc1O 34a_100011218135_100000722297 [0,1,0,0,0,1|1,0,1]=4 6150 B14R1.837 CC(C#N)SCCc1ccccc1Br 62a_100000703298_100012161201 [0,1,0,0,0,1|1,0,1]=4 6151 B14R1.837 CC(C#N)SCCc1ccccc1Br 62a_100012161201_100000703298 [0,1,0,0,0,1|1,0,1]=4 6152 B14R1.837 CC(C#N)SCCc1ccccc1Cl 62a_100000703298_100011713703 [0,1,0,0,0,1|1,0,1]=4 6153 B14R1.837 CC(C#N)SCCc1ccccc1Cl 62a_100011713703_100000703298 [0,1,0,0,0,1|1,0,1]=4 6154 B14R1.837 CC(C#N)SCCc1ccccc1F 62a_100000703298_100011713696 [0,1,0,0,0,1|1,0,1]=4 6155 B14R1.837 CC(C#N)SCCc1ccccc1F 62a_100011713696_100000703298 [0,1,0,0,0,1|1,0,1]=4 6156 B14R1.837 CC(C#N)SCCc1ccccc1O 62a_100000703298_100000722297 [0,1,0,0,0,1|1,0,1]=4 6157 B14R1.837 CC(C#N)SCCc1ccccc1O 62a_100000722297_100000703298 [0,1,0,0,0,1|1,0,1]=4 6158 B14R1.837 CC(CF)OCCc1ccccc1Br 34a_100016041109_100012161201 [0,1,0,0,0,1|1,0,1]=4 6159 B14R1.837 CC(CF)OCCc1ccccc1Br 7a_100016041109_100012161201 [0,1,0,0,0,1|1,0,1]=4 6160 B14R1.837 CC(CF)OCCc1ccccc1Cl 34a_100016041109_100011713703 [0,1,0,0,0,1|1,0,1]=4 6161 B14R1.837 CC(CF)OCCc1ccccc1Cl 7a_100016041109_100011713703 [0,1,0,0,0,1|1,0,1]=4 6162 B14R1.837 CC(CF)OCCc1ccccc1F 34a_100016041109_100000720011 [0,1,0,0,0,1|1,0,1]=4 6163 B14R1.837 CC(CF)OCCc1ccccc1F 7a_100016041109_100000720011 [0,1,0,0,0,1|1,0,1]=4 6164 B14R1.837 CC(CF)OCCc1ccccc1O 34a_100016041109_100000722297 [0,1,0,0,0,1|1,0,1]=4 6165 B14R1.837 CC(CF)OCCc1ccccc1O 7a_100016041109_100000722297 [0,1,0,0,0,1|1,0,1]=4 6166 B14R1.837 CC(CN)COCc1ccccc1Br 34a_100000744482_100000184730 [0,1,0,0,0,1|1,0,1]=4 6167 B14R1.837 CC(CN)COCc1ccccc1Cl 34a_100000744482_100000187162 [0,1,0,0,0,1|1,0,1]=4 6168 B14R1.837 CC(CN)COCc1ccccc1F 34a_100000744482_100000211605 [0,1,0,0,0,1|1,0,1]=4 6169 B14R1.837 CC(CN)COCc1ccccc1I 34a_100000744482_100011215278 [0,1,0,0,0,1|1,0,1]=4 6170 B14R1.837 CC(CN)OCCc1ccccc1Br 34a_100000210904_100012161201 [0,1,0,0,0,1|1,0,1]=4 6171 B14R1.837 CC(CN)OCCc1ccccc1Cl 34a_100000210904_100011713703 [0,1,0,0,0,1|1,0,1]=4 6172 B14R1.837 CC(CN)OCCc1ccccc1F 34a_100000210904_100000720011 [0,1,0,0,0,1|1,0,1]=4 6173 B14R1.837 CC(CN)OCCc1ccccc1O 34a_100000210904_100000722297 [0,1,0,0,0,1|1,0,1]=4 6174 B14R1.837 CC(CO)CNCc1ccccc1Br 207a_100000744482_100000211189 [0,1,0,0,0,1|0,0,2]=4 6175 B14R1.837 CC(CO)CNCc1ccccc1Br 34a_100000744482_100000184730 [0,1,0,0,0,1|0,0,2]=4 6176 B14R1.837 CC(CO)CNCc1ccccc1Cl 207a_100000744482_100000210073 [0,1,0,0,0,1|0,0,2]=4 6177 B14R1.837 CC(CO)CNCc1ccccc1Cl 34a_100000744482_100000187162 [0,1,0,0,0,1|0,0,2]=4 6178 B14R1.837 CC(CO)CNCc1ccccc1F 207a_100000744482_100000210811 [0,1,0,0,0,1|0,0,2]=4 6179 B14R1.837 CC(CO)CNCc1ccccc1F 34a_100000744482_100000211605 [0,1,0,0,0,1|0,0,2]=4 6180 B14R1.837 CC(CO)CNCc1ccccc1I 207a_100000744482_100000010305 [0,1,0,0,0,1|0,0,2]=4 6181 B14R1.837 CC(CO)CNCc1ccccc1I 34a_100000744482_100011215278 [0,1,0,0,0,1|0,0,2]=4 6182 B14R1.837 CC(CO)NCCc1ccccc1Br 2230a_100000747383_100012180447 [0,1,0,0,0,1|0,0,2]=4 6183 B14R1.837 CC(CO)NCCc1ccccc1Br 34a_100000747383_100012180447 [0,1,0,0,0,1|0,0,2]=4 6184 B14R1.837 CC(CO)NCCc1ccccc1Cl 2230a_100011207228_100012180447 [0,1,0,0,0,1|0,0,2]=4 6185 B14R1.837 CC(CO)NCCc1ccccc1Cl 34a_100011207228_100012180447 [0,1,0,0,0,1|0,0,2]=4 6186 B14R1.837 CC(CO)NCCc1ccccc1F 2230a_100000185272_100012180447 [0,1,0,0,0,1|0,0,2]=4 6187 B14R1.837 CC(CO)NCCc1ccccc1F 34a_100000185272_100012180447 [0,1,0,0,0,1|0,0,2]=4 6188 B14R1.837 CC(CO)NCCc1ccccc1O 34a_100011207237_100012180447 [0,1,0,0,0,1|0,0,2]=4 6189 B14R1.837 CC(CO)OCCc1ccccc1Br 34a_100000731337_100012180447 [0,1,0,0,0,1|0,0,2]=4 6190 B14R1.837 CC(CO)OCCc1ccccc1Br 7a_100000731337_100012180447 [0,1,0,0,0,1|0,0,2]=4 6191 B14R1.837 CC(CO)OCCc1ccccc1Cl 34a_100011215284_100012180447 [0,1,0,0,0,1|0,0,2]=4 6192 B14R1.837 CC(CO)OCCc1ccccc1Cl 7a_100011215284_100012180447 [0,1,0,0,0,1|0,0,2]=4 6193 B14R1.837 CC(CO)OCCc1ccccc1F 34a_100000753711_100012180447 [0,1,0,0,0,1|0,0,2]=4 6194 B14R1.837 CC(CO)OCCc1ccccc1F 7a_100000753711_100012180447 [0,1,0,0,0,1|0,0,2]=4 6195 B14R1.837 CC(CO)OCCc1ccccc1I 34a_100010255290_100012180447 [0,1,0,0,0,1|0,0,2]=4 6196 B14R1.837 CC(CO)OCCc1ccccc1I 7a_100010255290_100012180447 [0,1,0,0,0,1|0,0,2]=4 6197 B14R1.837 CC(CO)OCCc1ccccc1N 34a_100011215289_100012180447 [0,1,0,0,0,1|0,0,2]=4 6198 B14R1.837 CC(CO)SCCc1ccccc1Br 62a_100012180447_100012161201 [0,1,0,0,0,1|0,0,2]=4 6199 B14R1.837 CC(CO)SCCc1ccccc1Cl 62a_100012180447_100011713703 [0,1,0,0,0,1|0,0,2]=4 6200 B14R1.837 CC(CO)SCCc1ccccc1F 62a_100012180447_100011713696 [0,1,0,0,0,1|0,0,2]=4 6201 B14R1.837 CC(CO)SCCc1ccccc1O 62a_100012180447_100000722297 [0,1,0,0,0,1|0,0,2]=4 6202 B14R1.837 CCC(C)CNCc1ccccc1Br 207a_100020588543_100000211189 [0,1,0,0,0,1|1,0,1]=4 6203 B14R1.837 CCC(C)CNCc1ccccc1Br 2230a_100000689332_100000748023 [0,1,0,0,0,1|1,0,1]=4 6204 B14R1.837 CCC(C)CNCc1ccccc1Br 2230a_100020588543_100000184730 [0,1,0,0,0,1|1,0,1]=4 6205 B14R1.837 CCC(C)CNCc1ccccc1Br 26a_100020588543_100000181306 [0,1,0,0,0,1|1,0,1]=4 6206 B14R1.837 CCC(C)CNCc1ccccc1Br 270004a_100000689332_100000243153 [0,1,0,0,0,1|1,0,1]=4 6207 B14R1.837 CCC(C)CNCc1ccccc1Br 270004a_100020588543_100000211189 [0,1,0,0,0,1|1,0,1]=4 6208 B14R1.837 CCC(C)CNCc1ccccc1Br 34a_100000689332_100000748023 [0,1,0,0,0,1|1,0,1]=4 6209 B14R1.837 CCC(C)CNCc1ccccc1C 207a_100020588543_100000211143 [0,1,0,0,0,1|1,0,1]=4 6210 B14R1.837 CCC(C)CNCc1ccccc1C 2230a_100020588543_100000211839 [0,1,0,0,0,1|1,0,1]=4 6211 B14R1.837 CCC(C)CNCc1ccccc1C 270004a_100000174972_100000243153 [0,1,0,0,0,1|1,0,1]=4 6212 B14R1.837 CCC(C)CNCc1ccccc1C 270004a_100020588543_100000211143 [0,1,0,0,0,1|1,0,1]=4 6213 B14R1.837 CCC(C)CNCc1ccccc1C 34a_100000174972_100000748023 [0,1,0,0,0,1|1,0,1]=4 6214 B14R1.837 CCC(C)CNCc1ccccc1Cl 207a_100020588543_100000210073 [0,1,0,0,0,1|1,0,1]=4 6215 B14R1.837 CCC(C)CNCc1ccccc1Cl 2230a_100000174879_100000748023 [0,1,0,0,0,1|1,0,1]=4 6216 B14R1.837 CCC(C)CNCc1ccccc1Cl 2230a_100020588543_100000187162 [0,1,0,0,0,1|1,0,1]=4 6217 B14R1.837 CCC(C)CNCc1ccccc1Cl 26a_100020588543_100000210172 [0,1,0,0,0,1|1,0,1]=4 6218 B14R1.837 CCC(C)CNCc1ccccc1Cl 270004a_100000174879_100000243153 [0,1,0,0,0,1|1,0,1]=4 6219 B14R1.837 CCC(C)CNCc1ccccc1Cl 270004a_100020588543_100000210073 [0,1,0,0,0,1|1,0,1]=4 6220 B14R1.837 CCC(C)CNCc1ccccc1Cl 34a_100000174879_100000748023 [0,1,0,0,0,1|1,0,1]=4 6221 B14R1.837 CCC(C)CNCc1ccccc1F 207a_100020588543_100000210811 [0,1,0,0,0,1|1,0,1]=4 6222 B14R1.837 CCC(C)CNCc1ccccc1F 2230a_100020588543_100000211605 [0,1,0,0,0,1|1,0,1]=4 6223 B14R1.837 CCC(C)CNCc1ccccc1F 270004a_100000174869_100000243153 [0,1,0,0,0,1|1,0,1]=4 6224 B14R1.837 CCC(C)CNCc1ccccc1F 270004a_100020588543_100000210811 [0,1,0,0,0,1|1,0,1]=4 6225 B14R1.837 CCC(C)CNCc1ccccc1F 34a_100000174869_100000748023 [0,1,0,0,0,1|1,0,1]=4 6226 B14R1.837 CCC(C)CNCc1ccccc1I 207a_100020588543_100000010305 [0,1,0,0,0,1|1,0,1]=4 6227 B14R1.837 CCC(C)CNCc1ccccc1I 2230a_100020588543_100011215278 [0,1,0,0,0,1|1,0,1]=4 6228 B14R1.837 CCC(C)CNCc1ccccc1I 270004a_100015347259_100000243153 [0,1,0,0,0,1|1,0,1]=4 6229 B14R1.837 CCC(C)CNCc1ccccc1I 270004a_100020588543_100000010305 [0,1,0,0,0,1|1,0,1]=4 6230 B14R1.837 CCC(C)CNCc1ccccc1O 270004a_100000185550_100000243153 [0,1,0,0,0,1|1,0,1]=4 6231 B14R1.837 CCC(C)CNCc1ccccc1O 34a_100000185550_100000748023 [0,1,0,0,0,1|1,0,1]=4 6232 B14R1.837 CCC(C)COCc1ccccc1Br 34a_100000756307_100000748023 [0,1,0,0,0,1|1,0,1]=4 6233 B14R1.837 CCC(C)COCc1ccccc1Br 7a_100000756307_100000748023 [0,1,0,0,0,1|1,0,1]=4 6234 B14R1.837 CCC(C)COCc1ccccc1C 34a_100000698903_100000748023 [0,1,0,0,0,1|1,0,1]=4 6235 B14R1.837 CCC(C)COCc1ccccc1C 7a_100000698903_100000748023 [0,1,0,0,0,1|1,0,1]=4 6236 B14R1.837 CCC(C)COCc1ccccc1Cl 34a_100000210847_100000748023 [0,1,0,0,0,1|1,0,1]=4 6237 B14R1.837 CCC(C)COCc1ccccc1Cl 7a_100000210847_100000748023 [0,1,0,0,0,1|1,0,1]=4 6238 B14R1.837 CCC(C)COCc1ccccc1F 34a_100000211962_100000748023 [0,1,0,0,0,1|1,0,1]=4 6239 B14R1.837 CCC(C)COCc1ccccc1F 7a_100000211962_100000748023 [0,1,0,0,0,1|1,0,1]=4 6240 B14R1.837 CCC(C)COCc1ccccc1I 34a_100000187465_100000748023 [0,1,0,0,0,1|1,0,1]=4 6241 B14R1.837 CCC(C)COCc1ccccc1I 7a_100000187465_100000748023 [0,1,0,0,0,1|1,0,1]=4 6242 B14R1.837 CCC(C)COCc1ccccc1N 34a_100000212039_100000748023 [0,1,0,0,0,1|1,0,1]=4 6243 B14R1.837 CCC(C)CSCc1ccccc1Br 62a_100000184730_100000748023 [0,1,0,0,0,1|1,0,1]=4 6244 B14R1.837 CCC(C)CSCc1ccccc1Br 62a_100000748023_100000184730 [0,1,0,0,0,1|1,0,1]=4 6245 B14R1.837 CCC(C)CSCc1ccccc1C 62a_100000211839_100000748023 [0,1,0,0,0,1|1,0,1]=4 6246 B14R1.837 CCC(C)CSCc1ccccc1C 62a_100000748023_100000211839 [0,1,0,0,0,1|1,0,1]=4 6247 B14R1.837 CCC(C)CSCc1ccccc1Cl 62a_100000187162_100000748023 [0,1,0,0,0,1|1,0,1]=4 6248 B14R1.837 CCC(C)CSCc1ccccc1Cl 62a_100000748023_100000187162 [0,1,0,0,0,1|1,0,1]=4 6249 B14R1.837 CCC(C)CSCc1ccccc1F 62a_100000211605_100000748023 [0,1,0,0,0,1|1,0,1]=4 6250 B14R1.837 CCC(C)CSCc1ccccc1F 62a_100000748023_100000211605 [0,1,0,0,0,1|1,0,1]=4 6251 B14R1.837 CCC(C)CSCc1ccccc1I 62a_100000748023_100011216222 [0,1,0,0,0,1|1,0,1]=4 6252 B14R1.837 CCC(C)CSCc1ccccc1I 62a_100011216222_100000748023 [0,1,0,0,0,1|1,0,1]=4 6253 B14R1.837 CCC(C)NCCc1ccccc1Br 2230a_100000209981_100012161201 [0,1,0,0,0,1|1,0,1]=4 6254 B14R1.837 CCC(C)NCCc1ccccc1Br 2230a_100000747383_100000758301 [0,1,0,0,0,1|1,0,1]=4 6255 B14R1.837 CCC(C)NCCc1ccccc1Br 34a_100000747383_100011215416 [0,1,0,0,0,1|1,0,1]=4 6256 B14R1.837 CCC(C)NCCc1ccccc1C 2230a_100000209981_100011713688 [0,1,0,0,0,1|1,0,1]=4 6257 B14R1.837 CCC(C)NCCc1ccccc1C 2230a_100000685071_100000758301 [0,1,0,0,0,1|1,0,1]=4 6258 B14R1.837 CCC(C)NCCc1ccccc1C 34a_100000685071_100011215416 [0,1,0,0,0,1|1,0,1]=4 6259 B14R1.837 CCC(C)NCCc1ccccc1Cl 2230a_100000209981_100011713703 [0,1,0,0,0,1|1,0,1]=4 6260 B14R1.837 CCC(C)NCCc1ccccc1Cl 2230a_100011207228_100000758301 [0,1,0,0,0,1|1,0,1]=4 6261 B14R1.837 CCC(C)NCCc1ccccc1Cl 270004a_100000209981_200011713468 [0,1,0,0,0,1|1,0,1]=4 6262 B14R1.837 CCC(C)NCCc1ccccc1Cl 34a_100011207228_100011215416 [0,1,0,0,0,1|1,0,1]=4 6263 B14R1.837 CCC(C)NCCc1ccccc1F 2230a_100000185272_100000758301 [0,1,0,0,0,1|1,0,1]=4 6264 B14R1.837 CCC(C)NCCc1ccccc1F 2230a_100000209981_100011713696 [0,1,0,0,0,1|1,0,1]=4 6265 B14R1.837 CCC(C)NCCc1ccccc1F 34a_100000185272_100011215416 [0,1,0,0,0,1|1,0,1]=4 6266 B14R1.837 CCC(C)NCCc1ccccc1O 34a_100011207237_100011215416 [0,1,0,0,0,1|1,0,1]=4 6267 B14R1.837 CCC(C)OCCc1ccccc1Br 34a_100000731337_100011215416 [0,1,0,0,0,1|1,0,1]=4 6268 B14R1.837 CCC(C)OCCc1ccccc1Br 7a_100000210228_100012161201 [0,1,0,0,0,1|1,0,1]=4 6269 B14R1.837 CCC(C)OCCc1ccccc1Br 7a_100000731337_100000758301 [0,1,0,0,0,1|1,0,1]=4 6270 B14R1.837 CCC(C)OCCc1ccccc1C 34a_100011220023_100011215416 [0,1,0,0,0,1|1,0,1]=4 6271 B14R1.837 CCC(C)OCCc1ccccc1C 7a_100000210228_100011713688 [0,1,0,0,0,1|1,0,1]=4 6272 B14R1.837 CCC(C)OCCc1ccccc1C 7a_100011220023_100000758301 [0,1,0,0,0,1|1,0,1]=4 6273 B14R1.837 CCC(C)OCCc1ccccc1Cl 34a_100011215284_100011215416 [0,1,0,0,0,1|1,0,1]=4 6274 B14R1.837 CCC(C)OCCc1ccccc1Cl 7a_100000210228_100011713703 [0,1,0,0,0,1|1,0,1]=4 6275 B14R1.837 CCC(C)OCCc1ccccc1Cl 7a_100011215284_100000758301 [0,1,0,0,0,1|1,0,1]=4 6276 B14R1.837 CCC(C)OCCc1ccccc1F 34a_100000753711_100011215416 [0,1,0,0,0,1|1,0,1]=4 6277 B14R1.837 CCC(C)OCCc1ccccc1F 7a_100000210228_100000720011 [0,1,0,0,0,1|1,0,1]=4 6278 B14R1.837 CCC(C)OCCc1ccccc1F 7a_100000753711_100000758301 [0,1,0,0,0,1|1,0,1]=4 6279 B14R1.837 CCC(C)OCCc1ccccc1I 34a_100010255290_100011215416 [0,1,0,0,0,1|1,0,1]=4 6280 B14R1.837 CCC(C)OCCc1ccccc1I 7a_100010255290_100000758301 [0,1,0,0,0,1|1,0,1]=4 6281 B14R1.837 CCC(C)OCCc1ccccc1N 34a_100011215289_100011215416 [0,1,0,0,0,1|1,0,1]=4 6282 B14R1.837 CCC(C)OCCc1ccccc1O 7a_100000210228_100000722297 [0,1,0,0,0,1|1,0,1]=4 6283 B14R1.837 CCC(C)SCCc1ccccc1Br 62a_100000758301_100012161201 [0,1,0,0,0,1|1,0,1]=4 6284 B14R1.837 CCC(C)SCCc1ccccc1Br 62a_100012161201_100000758301 [0,1,0,0,0,1|1,0,1]=4 6285 B14R1.837 CCC(C)SCCc1ccccc1C 62a_100000758301_100011713688 [0,1,0,0,0,1|1,0,1]=4 6286 B14R1.837 CCC(C)SCCc1ccccc1C 62a_100011713688_100000758301 [0,1,0,0,0,1|1,0,1]=4 6287 B14R1.837 CCC(C)SCCc1ccccc1Cl 62a_100000758301_100011713703 [0,1,0,0,0,1|1,0,1]=4 6288 B14R1.837 CCC(C)SCCc1ccccc1Cl 62a_100011713703_100000758301 [0,1,0,0,0,1|1,0,1]=4 6289 B14R1.837 CCC(C)SCCc1ccccc1F 62a_100000758301_100011713696 [0,1,0,0,0,1|1,0,1]=4 6290 B14R1.837 CCC(C)SCCc1ccccc1F 62a_100011713696_100000758301 [0,1,0,0,0,1|1,0,1]=4 6291 B14R1.837 CCC(C)SCCc1ccccc1O 62a_100000722297_100000758301 [0,1,0,0,0,1|1,0,1]=4 6292 B14R1.837 CCC(C)SCCc1ccccc1O 62a_100000758301_100000722297 [0,1,0,0,0,1|1,0,1]=4 6293 B14R1.837 CC[C@H](C)CNCc1ccccc1Br 2230a_100000689332_100009816398 [0,1,0,0,0,1|1,0,1]=4 6294 B14R1.837 CC[C@H](C)CNCc1ccccc1Br 34a_100000689332_100009816398 [0,1,0,0,0,1|1,0,1]=4 6295 B14R1.837 CC[C@H](C)CNCc1ccccc1C 34a_100000174972_100009816398 [0,1,0,0,0,1|1,0,1]=4 6296 B14R1.837 CC[C@H](C)CNCc1ccccc1Cl 2230a_100000174879_100009816398 [0,1,0,0,0,1|1,0,1]=4 6297 B14R1.837 CC[C@H](C)CNCc1ccccc1Cl 34a_100000174879_100009816398 [0,1,0,0,0,1|1,0,1]=4 6298 B14R1.837 CC[C@H](C)CNCc1ccccc1F 34a_100000174869_100009816398 [0,1,0,0,0,1|1,0,1]=4 6299 B14R1.837 CC[C@H](C)CNCc1ccccc1O 34a_100000185550_100009816398 [0,1,0,0,0,1|1,0,1]=4 6300 B14R1.837 CC[C@H](C)COCc1ccccc1Br 34a_100000756307_100009816398 [0,1,0,0,0,1|1,0,1]=4 6301 B14R1.837 CC[C@H](C)COCc1ccccc1Br 7a_100000756307_100009816398 [0,1,0,0,0,1|1,0,1]=4 6302 B14R1.837 CC[C@H](C)COCc1ccccc1Br 7a_100009816381_100000184730 [0,1,0,0,0,1|1,0,1]=4 6303 B14R1.837 CC[C@H](C)COCc1ccccc1C 34a_100000698903_100009816398 [0,1,0,0,0,1|1,0,1]=4 6304 B14R1.837 CC[C@H](C)COCc1ccccc1C 7a_100000698903_100009816398 [0,1,0,0,0,1|1,0,1]=4 6305 B14R1.837 CC[C@H](C)COCc1ccccc1C 7a_100009816381_100000211839 [0,1,0,0,0,1|1,0,1]=4 6306 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 34a_100000210847_100009816398 [0,1,0,0,0,1|1,0,1]=4 6307 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 7a_100000210847_100009816398 [0,1,0,0,0,1|1,0,1]=4 6308 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 7a_100009816381_100000187162 [0,1,0,0,0,1|1,0,1]=4 6309 B14R1.837 CC[C@H](C)COCc1ccccc1F 34a_100000211962_100009816398 [0,1,0,0,0,1|1,0,1]=4 6310 B14R1.837 CC[C@H](C)COCc1ccccc1F 7a_100000211962_100009816398 [0,1,0,0,0,1|1,0,1]=4 6311 B14R1.837 CC[C@H](C)COCc1ccccc1F 7a_100009816381_100000211605 [0,1,0,0,0,1|1,0,1]=4 6312 B14R1.837 CC[C@H](C)COCc1ccccc1I 34a_100000187465_100009816398 [0,1,0,0,0,1|1,0,1]=4 6313 B14R1.837 CC[C@H](C)COCc1ccccc1I 7a_100000187465_100009816398 [0,1,0,0,0,1|1,0,1]=4 6314 B14R1.837 CC[C@H](C)COCc1ccccc1I 7a_100009816381_100011215278 [0,1,0,0,0,1|1,0,1]=4 6315 B14R1.837 CC[C@H](C)COCc1ccccc1N 34a_100000212039_100009816398 [0,1,0,0,0,1|1,0,1]=4 6316 B14R1.837 CC[C@H](C)CSCc1ccccc1Br 62a_100000184730_100009816398 [0,1,0,0,0,1|1,0,1]=4 6317 B14R1.837 CC[C@H](C)CSCc1ccccc1Br 62a_100009816398_100000184730 [0,1,0,0,0,1|1,0,1]=4 6318 B14R1.837 CC[C@H](C)CSCc1ccccc1C 62a_100000211839_100009816398 [0,1,0,0,0,1|1,0,1]=4 6319 B14R1.837 CC[C@H](C)CSCc1ccccc1C 62a_100009816398_100000211839 [0,1,0,0,0,1|1,0,1]=4 6320 B14R1.837 CC[C@H](C)CSCc1ccccc1Cl 62a_100000187162_100009816398 [0,1,0,0,0,1|1,0,1]=4 6321 B14R1.837 CC[C@H](C)CSCc1ccccc1Cl 62a_100009816398_100000187162 [0,1,0,0,0,1|1,0,1]=4 6322 B14R1.837 CC[C@H](C)CSCc1ccccc1F 62a_100000211605_100009816398 [0,1,0,0,0,1|1,0,1]=4 6323 B14R1.837 CC[C@H](C)CSCc1ccccc1F 62a_100009816398_100000211605 [0,1,0,0,0,1|1,0,1]=4 6324 B14R1.837 CC[C@H](C)CSCc1ccccc1I 62a_100009816398_100011216222 [0,1,0,0,0,1|1,0,1]=4 6325 B14R1.837 CC[C@H](C)CSCc1ccccc1I 62a_100011216222_100009816398 [0,1,0,0,0,1|1,0,1]=4 6326 B14R1.837 COC(C)COCc1ccccc1Br 34a_100000690652_100000184730 [0,1,0,0,0,1|2,0,0]=4 6327 B14R1.837 COC(C)COCc1ccccc1C 34a_100000690652_100000211839 [0,1,0,0,0,1|2,0,0]=4 6328 B14R1.837 COC(C)COCc1ccccc1Cl 34a_100000690652_100000187162 [0,1,0,0,0,1|2,0,0]=4 6329 B14R1.837 COC(C)COCc1ccccc1F 34a_100000690652_100000211605 [0,1,0,0,0,1|2,0,0]=4 6330 B14R1.837 COC(C)COCc1ccccc1I 34a_100000690652_100011215278 [0,1,0,0,0,1|2,0,0]=4 6331 B14R1.837 COC(C)SCCc1ccccc1Br 62a_100009879195_100012161201 [0,1,0,0,0,1|2,0,0]=4 6332 B14R1.837 COC(C)SCCc1ccccc1Br 62a_100012161201_100009879195 [0,1,0,0,0,1|2,0,0]=4 6333 B14R1.837 COC(C)SCCc1ccccc1C 62a_100009879195_100011713688 [0,1,0,0,0,1|2,0,0]=4 6334 B14R1.837 COC(C)SCCc1ccccc1C 62a_100011713688_100009879195 [0,1,0,0,0,1|2,0,0]=4 6335 B14R1.837 COC(C)SCCc1ccccc1Cl 62a_100009879195_100011713703 [0,1,0,0,0,1|2,0,0]=4 6336 B14R1.837 COC(C)SCCc1ccccc1Cl 62a_100011713703_100009879195 [0,1,0,0,0,1|2,0,0]=4 6337 B14R1.837 COC(C)SCCc1ccccc1F 62a_100009879195_100011713696 [0,1,0,0,0,1|2,0,0]=4 6338 B14R1.837 COC(C)SCCc1ccccc1F 62a_100011713696_100009879195 [0,1,0,0,0,1|2,0,0]=4 6339 B14R1.837 COC(C)SCCc1ccccc1O 62a_100000722297_100009879195 [0,1,0,0,0,1|2,0,0]=4 6340 B14R1.837 COC(C)SCCc1ccccc1O 62a_100009879195_100000722297 [0,1,0,0,0,1|2,0,0]=4 6341 B14R1.837 CO[C@H](C)CNCc1ccccc1Br 207a_100020591295_100000211189 [0,1,0,0,0,1|2,0,0]=4 6342 B14R1.837 CO[C@H](C)CNCc1ccccc1Br 2230a_100020591295_100000184730 [0,1,0,0,0,1|2,0,0]=4 6343 B14R1.837 CO[C@H](C)CNCc1ccccc1Br 270004a_100020591295_100000211189 [0,1,0,0,0,1|2,0,0]=4 6344 B14R1.837 CO[C@H](C)CNCc1ccccc1C 207a_100020591295_100000211143 [0,1,0,0,0,1|2,0,0]=4 6345 B14R1.837 CO[C@H](C)CNCc1ccccc1C 2230a_100020591295_100000211839 [0,1,0,0,0,1|2,0,0]=4 6346 B14R1.837 CO[C@H](C)CNCc1ccccc1C 270004a_100020591295_100000211143 [0,1,0,0,0,1|2,0,0]=4 6347 B14R1.837 CO[C@H](C)CNCc1ccccc1Cl 207a_100020591295_100000210073 [0,1,0,0,0,1|2,0,0]=4 6348 B14R1.837 CO[C@H](C)CNCc1ccccc1Cl 2230a_100020591295_100000187162 [0,1,0,0,0,1|2,0,0]=4 6349 B14R1.837 CO[C@H](C)CNCc1ccccc1Cl 270004a_100020591295_100000210073 [0,1,0,0,0,1|2,0,0]=4 6350 B14R1.837 CO[C@H](C)CNCc1ccccc1F 207a_100020591295_100000210811 [0,1,0,0,0,1|2,0,0]=4 6351 B14R1.837 CO[C@H](C)CNCc1ccccc1F 2230a_100020591295_100000211605 [0,1,0,0,0,1|2,0,0]=4 6352 B14R1.837 CO[C@H](C)CNCc1ccccc1F 270004a_100020591295_100000210811 [0,1,0,0,0,1|2,0,0]=4 6353 B14R1.837 CO[C@H](C)CNCc1ccccc1I 207a_100020591295_100000010305 [0,1,0,0,0,1|2,0,0]=4 6354 B14R1.837 CO[C@H](C)CNCc1ccccc1I 2230a_100020591295_100011215278 [0,1,0,0,0,1|2,0,0]=4 6355 B14R1.837 CO[C@H](C)CNCc1ccccc1I 270004a_100020591295_100000010305 [0,1,0,0,0,1|2,0,0]=4 6356 B14R1.837 C[C@@H](CO)CNCc1ccccc1Br 2230a_100000689332_100000059175 [0,1,0,0,0,1|0,0,2]=4 6357 B14R1.837 C[C@@H](CO)CNCc1ccccc1Br 34a_100000689332_100000059175 [0,1,0,0,0,1|0,0,2]=4 6358 B14R1.837 C[C@@H](CO)CNCc1ccccc1Cl 2230a_100000174879_100000059175 [0,1,0,0,0,1|0,0,2]=4 6359 B14R1.837 C[C@@H](CO)CNCc1ccccc1Cl 34a_100000174879_100000059175 [0,1,0,0,0,1|0,0,2]=4 6360 B14R1.837 C[C@@H](CO)CNCc1ccccc1F 34a_100000174869_100000059175 [0,1,0,0,0,1|0,0,2]=4 6361 B14R1.837 C[C@@H](CO)CNCc1ccccc1O 34a_100000185550_100000059175 [0,1,0,0,0,1|0,0,2]=4 6362 B14R1.837 C[C@@H](CO)COCc1ccccc1Br 34a_100000756307_100000059175 [0,1,0,0,0,1|0,0,2]=4 6363 B14R1.837 C[C@@H](CO)COCc1ccccc1Br 7a_100000756307_100000059175 [0,1,0,0,0,1|0,0,2]=4 6364 B14R1.837 C[C@@H](CO)COCc1ccccc1Cl 34a_100000210847_100000059175 [0,1,0,0,0,1|0,0,2]=4 6365 B14R1.837 C[C@@H](CO)COCc1ccccc1Cl 7a_100000210847_100000059175 [0,1,0,0,0,1|0,0,2]=4 6366 B14R1.837 C[C@@H](CO)COCc1ccccc1F 34a_100000211962_100000059175 [0,1,0,0,0,1|0,0,2]=4 6367 B14R1.837 C[C@@H](CO)COCc1ccccc1F 7a_100000211962_100000059175 [0,1,0,0,0,1|0,0,2]=4 6368 B14R1.837 C[C@@H](CO)COCc1ccccc1I 34a_100000187465_100000059175 [0,1,0,0,0,1|0,0,2]=4 6369 B14R1.837 C[C@@H](CO)COCc1ccccc1I 7a_100000187465_100000059175 [0,1,0,0,0,1|0,0,2]=4 6370 B14R1.837 C[C@@H](CO)COCc1ccccc1N 34a_100000212039_100000059175 [0,1,0,0,0,1|0,0,2]=4 6371 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000059175_100000184730 [0,1,0,0,0,1|0,0,2]=4 6372 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000184730_100000059175 [0,1,0,0,0,1|0,0,2]=4 6373 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000059175_100000187162 [0,1,0,0,0,1|0,0,2]=4 6374 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000187162_100000059175 [0,1,0,0,0,1|0,0,2]=4 6375 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000059175_100000211605 [0,1,0,0,0,1|0,0,2]=4 6376 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000211605_100000059175 [0,1,0,0,0,1|0,0,2]=4 6377 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100000059175_100011216222 [0,1,0,0,0,1|0,0,2]=4 6378 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100011216222_100000059175 [0,1,0,0,0,1|0,0,2]=4 6379 B14R1.837 C[C@H](CF)NCCc1ccccc1Cl 270004a_100102880703_200011713468 [0,1,0,0,0,1|1,0,1]=4 6380 B14R1.837 C[C@H](CO)NCCc1ccccc1Br 2230a_100000737577_100012161201 [0,1,0,0,0,1|0,0,2]=4 6381 B14R1.837 C[C@H](CO)NCCc1ccccc1Cl 2230a_100000737577_100011713703 [0,1,0,0,0,1|0,0,2]=4 6382 B14R1.837 C[C@H](CO)NCCc1ccccc1Cl 270004a_100000737577_200011713468 [0,1,0,0,0,1|0,0,2]=4 6383 B14R1.837 C[C@H](CO)NCCc1ccccc1F 2230a_100000737577_100011713696 [0,1,0,0,0,1|0,0,2]=4 6384 B14R1.837 C[C@H](CO)SCCc1ccccc1Br 62a_100012161201_100016084084 [0,1,0,0,0,1|0,0,2]=4 6385 B14R1.837 C[C@H](CO)SCCc1ccccc1Br 62a_100016084084_100012161201 [0,1,0,0,0,1|0,0,2]=4 6386 B14R1.837 C[C@H](CO)SCCc1ccccc1Cl 62a_100011713703_100016084084 [0,1,0,0,0,1|0,0,2]=4 6387 B14R1.837 C[C@H](CO)SCCc1ccccc1Cl 62a_100016084084_100011713703 [0,1,0,0,0,1|0,0,2]=4 6388 B14R1.837 C[C@H](CO)SCCc1ccccc1F 62a_100011713696_100016084084 [0,1,0,0,0,1|0,0,2]=4 6389 B14R1.837 C[C@H](CO)SCCc1ccccc1F 62a_100016084084_100011713696 [0,1,0,0,0,1|0,0,2]=4 6390 B14R1.837 C[C@H](CO)SCCc1ccccc1O 62a_100000722297_100016084084 [0,1,0,0,0,1|0,0,2]=4 6391 B14R1.837 C[C@H](CO)SCCc1ccccc1O 62a_100016084084_100000722297 [0,1,0,0,0,1|0,0,2]=4 6392 B14R1.837 Cc1ccccc1CCNC(C)C#N 2230a_100000685071_100000184139 [0,1,0,0,0,1|1,0,1]=4 6393 B14R1.837 Cc1ccccc1CCNC(C)C#N 2230a_100000737613_100011713688 [0,1,0,0,0,1|1,0,1]=4 6394 B14R1.837 Cc1ccccc1CCNC(C)CO 2230a_100000685071_100012180447 [0,1,0,0,0,1|0,0,2]=4 6395 B14R1.837 Cc1ccccc1CCNC(C)CO 34a_100000685071_100012180447 [0,1,0,0,0,1|0,0,2]=4 6396 B14R1.837 Cc1ccccc1CCN[C@H](C)CO 2230a_100000737577_100011713688 [0,1,0,0,0,1|0,0,2]=4 6397 B14R1.837 Cc1ccccc1CCOC(C)C#N 34a_100011218135_100011713688 [0,1,0,0,0,1|1,0,1]=4 6398 B14R1.837 Cc1ccccc1CCOC(C)C#N 7a_100011220023_100000703298 [0,1,0,0,0,1|1,0,1]=4 6399 B14R1.837 Cc1ccccc1CCOC(C)CF 34a_100016041109_100011713688 [0,1,0,0,0,1|1,0,1]=4 6400 B14R1.837 Cc1ccccc1CCOC(C)CF 7a_100016041109_100011713688 [0,1,0,0,0,1|1,0,1]=4 6401 B14R1.837 Cc1ccccc1CCOC(C)CN 34a_100000210904_100011713688 [0,1,0,0,0,1|1,0,1]=4 6402 B14R1.837 Cc1ccccc1CCOC(C)CO 34a_100011220023_100012180447 [0,1,0,0,0,1|0,0,2]=4 6403 B14R1.837 Cc1ccccc1CCOC(C)CO 7a_100011220023_100012180447 [0,1,0,0,0,1|0,0,2]=4 6404 B14R1.837 Cc1ccccc1CCSC(C)C#N 62a_100000703298_100011713688 [0,1,0,0,0,1|1,0,1]=4 6405 B14R1.837 Cc1ccccc1CCSC(C)C#N 62a_100011713688_100000703298 [0,1,0,0,0,1|1,0,1]=4 6406 B14R1.837 Cc1ccccc1CCSC(C)CO 62a_100012180447_100011713688 [0,1,0,0,0,1|0,0,2]=4 6407 B14R1.837 Cc1ccccc1CCS[C@H](C)CO 62a_100011713688_100016084084 [0,1,0,0,0,1|0,0,2]=4 6408 B14R1.837 Cc1ccccc1CCS[C@H](C)CO 62a_100016084084_100011713688 [0,1,0,0,0,1|0,0,2]=4 6409 B14R1.837 Cc1ccccc1CNCC(C)CO 207a_100000744482_100000211143 [0,1,0,0,0,1|0,0,2]=4 6410 B14R1.837 Cc1ccccc1CNCC(C)CO 34a_100000744482_100000211839 [0,1,0,0,0,1|0,0,2]=4 6411 B14R1.837 Cc1ccccc1CNC[C@@H](C)CO 34a_100000174972_100000059175 [0,1,0,0,0,1|0,0,2]=4 6412 B14R1.837 Cc1ccccc1COCC(C)CN 34a_100000744482_100000211839 [0,1,0,0,0,1|1,0,1]=4 6413 B14R1.837 Cc1ccccc1COC[C@@H](C)CO 34a_100000698903_100000059175 [0,1,0,0,0,1|0,0,2]=4 6414 B14R1.837 Cc1ccccc1COC[C@@H](C)CO 7a_100000698903_100000059175 [0,1,0,0,0,1|0,0,2]=4 6415 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000059175_100000211839 [0,1,0,0,0,1|0,0,2]=4 6416 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000211839_100000059175 [0,1,0,0,0,1|0,0,2]=4 6417 B14R1.1025 C#CC(C)NCCc1cccc(c1)Br 2230a_100000707721_100011740638 [0,1,0,0,0,1|1,0,1]=4 6418 B14R1.1025 C#CC(C)NCCc1cccc(c1)Br 34a_100000707721_100011740638 [0,1,0,0,0,1|1,0,1]=4 6419 B14R1.1025 C#CC(C)NCCc1cccc(c1)Br 34a_100011207229_200000035995 [0,1,0,0,0,1|1,0,1]=4 6420 B14R1.1025 C#CC(C)NCCc1cccc(c1)C 2230a_100000707721_100011713685 [0,1,0,0,0,1|1,0,1]=4 6421 B14R1.1025 C#CC(C)NCCc1cccc(c1)C 34a_100000707721_100011713685 [0,1,0,0,0,1|1,0,1]=4 6422 B14R1.1025 C#CC(C)NCCc1cccc(c1)C 34a_100000749837_200000035995 [0,1,0,0,0,1|1,0,1]=4 6423 B14R1.1025 C#CC(C)NCCc1cccc(c1)Cl 2230a_100000707721_100011713710 [0,1,0,0,0,1|1,0,1]=4 6424 B14R1.1025 C#CC(C)NCCc1cccc(c1)Cl 34a_100000185263_200000035995 [0,1,0,0,0,1|1,0,1]=4 6425 B14R1.1025 C#CC(C)NCCc1cccc(c1)Cl 34a_100000707721_100011713710 [0,1,0,0,0,1|1,0,1]=4 6426 B14R1.1025 C#CC(C)NCCc1cccc(c1)F 2230a_100000707721_100011217235 [0,1,0,0,0,1|1,0,1]=4 6427 B14R1.1025 C#CC(C)NCCc1cccc(c1)F 34a_100000205154_200000035995 [0,1,0,0,0,1|1,0,1]=4 6428 B14R1.1025 C#CC(C)NCCc1cccc(c1)F 34a_100000707721_100011217235 [0,1,0,0,0,1|1,0,1]=4 6429 B14R1.1025 C#CC(C)NCCc1cccc(c1)O 34a_100000747277_200000035995 [0,1,0,0,0,1|1,0,1]=4 6430 B14R1.1025 C#CC(C)OCCc1cccc(c1)Br 34a_100011217444_200000035995 [0,1,0,0,0,1|1,0,1]=4 6431 B14R1.1025 C#CC(C)OCCc1cccc(c1)C 34a_100011217157_200000035995 [0,1,0,0,0,1|1,0,1]=4 6432 B14R1.1025 C#CC(C)OCCc1cccc(c1)Cl 34a_100000754733_200000035995 [0,1,0,0,0,1|1,0,1]=4 6433 B14R1.1025 C#CC(C)OCCc1cccc(c1)F 34a_100000763591_200000035995 [0,1,0,0,0,1|1,0,1]=4 6434 B14R1.1025 C#CC(C)OCCc1cccc(c1)N 34a_100011996697_200000035995 [0,1,0,0,0,1|1,0,1]=4 6435 B14R1.1025 C#CC(C)SCCc1cccc(c1)Br 62a_200000035995_100011740638 [0,1,0,0,0,1|1,0,1]=4 6436 B14R1.1025 C#CC(C)SCCc1cccc(c1)C 62a_200000035995_100011713685 [0,1,0,0,0,1|1,0,1]=4 6437 B14R1.1025 C#CC(C)SCCc1cccc(c1)Cl 62a_200000035995_100011713710 [0,1,0,0,0,1|1,0,1]=4 6438 B14R1.1025 C#CC(C)SCCc1cccc(c1)F 62a_200000035995_100011217235 [0,1,0,0,0,1|1,0,1]=4 6439 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)Br 34a_100009815206_100011740638 [0,1,0,0,0,1|1,0,1]=4 6440 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)Br 7a_100009815206_100011740638 [0,1,0,0,0,1|1,0,1]=4 6441 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)C 34a_100009815206_100011713685 [0,1,0,0,0,1|1,0,1]=4 6442 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)C 7a_100009815206_100011713685 [0,1,0,0,0,1|1,0,1]=4 6443 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)Cl 34a_100009815206_100011713710 [0,1,0,0,0,1|1,0,1]=4 6444 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)Cl 7a_100009815206_100011713710 [0,1,0,0,0,1|1,0,1]=4 6445 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)F 34a_100009815206_100011217235 [0,1,0,0,0,1|1,0,1]=4 6446 B14R1.1025 C#C[C@@H](C)OCCc1cccc(c1)F 7a_100009815206_100011217235 [0,1,0,0,0,1|1,0,1]=4 6447 B14R1.1025 C=CC(C)COCc1cc(ccn1)Br 34a_100011215527_100010173614 [0,1,0,0,0,1|2,0,0]=4 6448 B14R1.1025 C=CC(C)COCc1cc(ccn1)Br 7a_100011215527_100010173614 [0,1,0,0,0,1|2,0,0]=4 6449 B14R1.1025 C=CC(C)COCc1cc(ccn1)C 34a_100011215527_100000718516 [0,1,0,0,0,1|2,0,0]=4 6450 B14R1.1025 C=CC(C)COCc1cc(ccn1)C 7a_100011215527_100000718516 [0,1,0,0,0,1|2,0,0]=4 6451 B14R1.1025 C=CC(C)COCc1cc(ccn1)Cl 34a_100011215527_100016988179 [0,1,0,0,0,1|2,0,0]=4 6452 B14R1.1025 C=CC(C)COCc1cc(ccn1)Cl 7a_100011215527_100016988179 [0,1,0,0,0,1|2,0,0]=4 6453 B14R1.1025 C=CC(C)COCc1cccc(c1)Br 34a_100011215527_100000698116 [0,1,0,0,0,1|1,0,0]=3 6454 B14R1.1025 C=CC(C)COCc1cccc(c1)Br 7a_100011215527_100000211773 [0,1,0,0,0,1|1,0,0]=3 6455 B14R1.1025 C=CC(C)COCc1cccc(c1)C 34a_100011215527_100000211840 [0,1,0,0,0,1|1,0,0]=3 6456 B14R1.1025 C=CC(C)COCc1cccc(c1)C 7a_100011215527_100000211840 [0,1,0,0,0,1|1,0,0]=3 6457 B14R1.1025 C=CC(C)COCc1cccc(c1)Cl 34a_100011215527_100000187163 [0,1,0,0,0,1|1,0,0]=3 6458 B14R1.1025 C=CC(C)COCc1cccc(c1)Cl 7a_100011215527_100000187163 [0,1,0,0,0,1|1,0,0]=3 6459 B14R1.1025 C=CC(C)COCc1cccc(c1)F 34a_100011215527_100000187166 [0,1,0,0,0,1|1,0,0]=3 6460 B14R1.1025 C=CC(C)COCc1cccc(c1)F 7a_100011215527_100000230114 [0,1,0,0,0,1|1,0,0]=3 6461 B14R1.1025 C=CC(C)COCc1cccc(c1)I 34a_100011215527_100011218688 [0,1,0,0,0,1|1,0,0]=3 6462 B14R1.1025 C=CC(C)COCc1cccc(c1)I 7a_100011215527_100011218688 [0,1,0,0,0,1|1,0,0]=3 6463 B14R1.1025 C=CC(C)COCc1cccc(c1)O 34a_100011215527_100011660834 [0,1,0,0,0,1|1,0,0]=3 6464 B14R1.1025 C=CC(C)COCc1cccc(c1)O 7a_100011215527_100000084143 [0,1,0,0,0,1|1,0,0]=3 6465 B14R1.1025 C=CC(C)COCc1cccc(n1)Br 34a_100011215527_100009889011 [0,1,0,0,0,1|2,0,0]=4 6466 B14R1.1025 C=CC(C)COCc1cccc(n1)Br 7a_100011215527_100009889011 [0,1,0,0,0,1|2,0,0]=4 6467 B14R1.1025 C=CC(C)COCc1cccc(n1)C 34a_100011215527_100000757606 [0,1,0,0,0,1|2,0,0]=4 6468 B14R1.1025 C=CC(C)COCc1cccc(n1)C 7a_100011215527_100000757606 [0,1,0,0,0,1|2,0,0]=4 6469 B14R1.1025 C=CC(C)COCc1cccc(n1)Cl 34a_100011215527_100000086093 [0,1,0,0,0,1|2,0,0]=4 6470 B14R1.1025 C=CC(C)COCc1cccc(n1)Cl 7a_100011215527_100000086093 [0,1,0,0,0,1|2,0,0]=4 6471 B14R1.1025 C=CC(C)COCc1cccc(n1)F 34a_100011215527_100009819644 [0,1,0,0,0,1|2,0,0]=4 6472 B14R1.1025 C=CC(C)COCc1cccc(n1)F 7a_100011215527_100009819644 [0,1,0,0,0,1|2,0,0]=4 6473 B14R1.1025 C=CC(C)COCc1ccnc(c1)Br 34a_100011215527_100010243470 [0,1,0,0,0,1|2,0,0]=4 6474 B14R1.1025 C=CC(C)COCc1ccnc(c1)Br 7a_100011215527_100010254460 [0,1,0,0,0,1|2,0,0]=4 6475 B14R1.1025 C=CC(C)COCc1ccnc(c1)C 34a_100011215527_200020672517 [0,1,0,0,0,1|2,0,0]=4 6476 B14R1.1025 C=CC(C)COCc1ccnc(c1)C 7a_100011215527_200020672517 [0,1,0,0,0,1|2,0,0]=4 6477 B14R1.1025 C=CC(C)COCc1ccnc(c1)Cl 34a_100011215527_100000764220 [0,1,0,0,0,1|2,0,0]=4 6478 B14R1.1025 C=CC(C)COCc1ccnc(c1)Cl 7a_100011215527_100000764220 [0,1,0,0,0,1|2,0,0]=4 6479 B14R1.1025 C=CC(C)COCc1cncc(c1)Br 34a_100011215527_100000738771 [0,1,0,0,0,1|2,0,0]=4 6480 B14R1.1025 C=CC(C)COCc1cncc(c1)Br 7a_100011215527_100000738771 [0,1,0,0,0,1|2,0,0]=4 6481 B14R1.1025 C=CC(C)COCc1cncc(c1)C 34a_100011215527_100000716715 [0,1,0,0,0,1|2,0,0]=4 6482 B14R1.1025 C=CC(C)COCc1cncc(c1)C 7a_100011215527_100000716715 [0,1,0,0,0,1|2,0,0]=4 6483 B14R1.1025 C=CC(C)COCc1cncc(c1)Cl 34a_100011215527_100016992070 [0,1,0,0,0,1|2,0,0]=4 6484 B14R1.1025 C=CC(C)COCc1cncc(c1)Cl 7a_100011215527_100016992070 [0,1,0,0,0,1|2,0,0]=4 6485 B14R1.1025 C=CC(C)COCc1cncc(c1)F 34a_100011215527_100000725299 [0,1,0,0,0,1|2,0,0]=4 6486 B14R1.1025 C=CC(C)COCc1cncc(c1)F 7a_100011215527_100000725299 [0,1,0,0,0,1|2,0,0]=4 6487 B14R1.1025 C=CC(C)OCCc1cccc(c1)Br 34a_100000695699_100011740638 [0,1,0,0,0,1|1,0,0]=3 6488 B14R1.1025 C=CC(C)OCCc1cccc(c1)C 34a_100000695699_100011713685 [0,1,0,0,0,1|1,0,0]=3 6489 B14R1.1025 C=CC(C)OCCc1cccc(c1)Cl 34a_100000695699_100011713710 [0,1,0,0,0,1|1,0,0]=3 6490 B14R1.1025 C=CC(C)OCCc1cccc(c1)F 34a_100000695699_100011217235 [0,1,0,0,0,1|1,0,0]=3 6491 B14R1.1025 C=CC(C)SCCc1cccc(c1)Br 62a_100011215867_100011740638 [0,1,0,0,0,1|1,0,0]=3 6492 B14R1.1025 C=CC(C)SCCc1cccc(c1)C 62a_100011215867_100011713685 [0,1,0,0,0,1|1,0,0]=3 6493 B14R1.1025 C=CC(C)SCCc1cccc(c1)Cl 62a_100011215867_100011713710 [0,1,0,0,0,1|1,0,0]=3 6494 B14R1.1025 C=CC(C)SCCc1cccc(c1)F 62a_100011215867_100011217235 [0,1,0,0,0,1|1,0,0]=3 6495 B14R1.1025 C=CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100000730141 [0,1,0,0,0,1|2,0,0]=4 6496 B14R1.1025 C=CC(O)CNCc1cccc(c1)Br 34a_100000174977_100000730141 [0,1,0,0,0,1|2,0,0]=4 6497 B14R1.1025 C=CC(O)CNCc1cccc(c1)C 2230a_100000185548_100000730141 [0,1,0,0,0,1|2,0,0]=4 6498 B14R1.1025 C=CC(O)CNCc1cccc(c1)C 34a_100000185548_100000730141 [0,1,0,0,0,1|2,0,0]=4 6499 B14R1.1025 C=CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100000730141 [0,1,0,0,0,1|2,0,0]=4 6500 B14R1.1025 C=CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100000730141 [0,1,0,0,0,1|2,0,0]=4 6501 B14R1.1025 C=CC(O)CNCc1cccc(c1)F 2230a_100000174948_100000730141 [0,1,0,0,0,1|2,0,0]=4 6502 B14R1.1025 C=CC(O)CNCc1cccc(c1)F 34a_100000174948_100000730141 [0,1,0,0,0,1|2,0,0]=4 6503 B14R1.1025 C=CC(O)CNCc1cccc(c1)I 2230a_100000106179_100000730141 [0,1,0,0,0,1|2,0,0]=4 6504 B14R1.1025 C=CC(O)CNCc1cccc(c1)I 34a_100000106179_100000730141 [0,1,0,0,0,1|2,0,0]=4 6505 B14R1.1025 C=CC(O)CNCc1cccc(c1)O 2230a_100000743036_100000730141 [0,1,0,0,0,1|2,0,0]=4 6506 B14R1.1025 C=CC(O)CNCc1cccc(c1)O 34a_100000743036_100000730141 [0,1,0,0,0,1|2,0,0]=4 6507 B14R1.1025 C=CC(O)COCc1cccc(c1)Br 34a_100000687537_100000730141 [0,1,0,0,0,1|2,0,0]=4 6508 B14R1.1025 C=CC(O)COCc1cccc(c1)Br 7a_100000687537_100000730141 [0,1,0,0,0,1|2,0,0]=4 6509 B14R1.1025 C=CC(O)COCc1cccc(c1)C 34a_100011217746_100000730141 [0,1,0,0,0,1|2,0,0]=4 6510 B14R1.1025 C=CC(O)COCc1cccc(c1)C 7a_100011217746_100000730141 [0,1,0,0,0,1|2,0,0]=4 6511 B14R1.1025 C=CC(O)COCc1cccc(c1)Cl 34a_100000241301_100000730141 [0,1,0,0,0,1|2,0,0]=4 6512 B14R1.1025 C=CC(O)COCc1cccc(c1)Cl 7a_100000241301_100000730141 [0,1,0,0,0,1|2,0,0]=4 6513 B14R1.1025 C=CC(O)COCc1cccc(c1)F 34a_100000210976_100000730141 [0,1,0,0,0,1|2,0,0]=4 6514 B14R1.1025 C=CC(O)COCc1cccc(c1)F 7a_100000210976_100000730141 [0,1,0,0,0,1|2,0,0]=4 6515 B14R1.1025 C=CC(O)COCc1cccc(c1)I 34a_100011215336_100000730141 [0,1,0,0,0,1|2,0,0]=4 6516 B14R1.1025 C=CC(O)COCc1cccc(c1)I 7a_100011215336_100000730141 [0,1,0,0,0,1|2,0,0]=4 6517 B14R1.1025 C=CC(O)COCc1cccc(c1)N 34a_100000211919_100000730141 [0,1,0,0,0,1|2,0,0]=4 6518 B14R1.1025 C=CC(O)CSCc1cccc(c1)Br 62a_100000211773_100000730141 [0,1,0,0,0,1|2,0,0]=4 6519 B14R1.1025 C=CC(O)CSCc1cccc(c1)Br 62a_100000730141_100000211773 [0,1,0,0,0,1|2,0,0]=4 6520 B14R1.1025 C=CC(O)CSCc1cccc(c1)C 62a_100000211840_100000730141 [0,1,0,0,0,1|2,0,0]=4 6521 B14R1.1025 C=CC(O)CSCc1cccc(c1)C 62a_100000730141_100000211840 [0,1,0,0,0,1|2,0,0]=4 6522 B14R1.1025 C=CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100000730141 [0,1,0,0,0,1|2,0,0]=4 6523 B14R1.1025 C=CC(O)CSCc1cccc(c1)Cl 62a_100000730141_100000187163 [0,1,0,0,0,1|2,0,0]=4 6524 B14R1.1025 C=CC(O)CSCc1cccc(c1)F 62a_100000230114_100000730141 [0,1,0,0,0,1|2,0,0]=4 6525 B14R1.1025 C=CC(O)CSCc1cccc(c1)F 62a_100000730141_100000230114 [0,1,0,0,0,1|2,0,0]=4 6526 B14R1.1025 C=CC(O)CSCc1cccc(c1)I 62a_100000730141_100011218688 [0,1,0,0,0,1|2,0,0]=4 6527 B14R1.1025 C=CC(O)CSCc1cccc(c1)I 62a_100011218688_100000730141 [0,1,0,0,0,1|2,0,0]=4 6528 B14R1.1025 C=CC(O)CSCc1cccc(c1)O 62a_100000730141_100011660834 [0,1,0,0,0,1|2,0,0]=4 6529 B14R1.1025 C=CC(O)CSCc1cccc(c1)O 62a_100011660834_100000730141 [0,1,0,0,0,1|2,0,0]=4 6530 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)Br 34a_100016989147_100000698116 [0,1,0,0,0,1|2,0,0]=4 6531 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)C 34a_100016989147_100000211840 [0,1,0,0,0,1|2,0,0]=4 6532 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)Cl 34a_100016989147_100000187163 [0,1,0,0,0,1|2,0,0]=4 6533 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)F 34a_100016989147_100000187166 [0,1,0,0,0,1|2,0,0]=4 6534 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)I 34a_100016989147_100011218688 [0,1,0,0,0,1|2,0,0]=4 6535 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)O 34a_100016989147_100011660834 [0,1,0,0,0,1|2,0,0]=4 6536 B14R1.1025 CC(C#N)NCCc1cccc(c1)Br 2230a_100000737613_100011740638 [0,1,0,0,0,1|1,0,1]=4 6537 B14R1.1025 CC(C#N)NCCc1cccc(c1)Br 2230a_100011207229_100000184139 [0,1,0,0,0,1|1,0,1]=4 6538 B14R1.1025 CC(C#N)NCCc1cccc(c1)Cl 2230a_100000185263_100000184139 [0,1,0,0,0,1|1,0,1]=4 6539 B14R1.1025 CC(C#N)NCCc1cccc(c1)Cl 2230a_100000737613_100011713710 [0,1,0,0,0,1|1,0,1]=4 6540 B14R1.1025 CC(C#N)NCCc1cccc(c1)F 2230a_100000205154_100000184139 [0,1,0,0,0,1|1,0,1]=4 6541 B14R1.1025 CC(C#N)NCCc1cccc(c1)F 2230a_100000737613_100011217235 [0,1,0,0,0,1|1,0,1]=4 6542 B14R1.1025 CC(C#N)NCCc1cccc(c1)O 2230a_100000747277_100000184139 [0,1,0,0,0,1|1,0,1]=4 6543 B14R1.1025 CC(C#N)OCCc1cccc(c1)Br 34a_100011218135_100011740638 [0,1,0,0,0,1|1,0,1]=4 6544 B14R1.1025 CC(C#N)OCCc1cccc(c1)Br 7a_100011217444_100000703298 [0,1,0,0,0,1|1,0,1]=4 6545 B14R1.1025 CC(C#N)OCCc1cccc(c1)Cl 34a_100011218135_100011713710 [0,1,0,0,0,1|1,0,1]=4 6546 B14R1.1025 CC(C#N)OCCc1cccc(c1)Cl 7a_100000754733_100000703298 [0,1,0,0,0,1|1,0,1]=4 6547 B14R1.1025 CC(C#N)OCCc1cccc(c1)F 34a_100011218135_100011217235 [0,1,0,0,0,1|1,0,1]=4 6548 B14R1.1025 CC(C#N)OCCc1cccc(c1)F 7a_100000763591_100000703298 [0,1,0,0,0,1|1,0,1]=4 6549 B14R1.1025 CC(C#N)SCCc1cccc(c1)Br 62a_100000703298_100011740638 [0,1,0,0,0,1|1,0,1]=4 6550 B14R1.1025 CC(C#N)SCCc1cccc(c1)Br 62a_100011740638_100000703298 [0,1,0,0,0,1|1,0,1]=4 6551 B14R1.1025 CC(C#N)SCCc1cccc(c1)Cl 62a_100000703298_100011713710 [0,1,0,0,0,1|1,0,1]=4 6552 B14R1.1025 CC(C#N)SCCc1cccc(c1)Cl 62a_100011713710_100000703298 [0,1,0,0,0,1|1,0,1]=4 6553 B14R1.1025 CC(C#N)SCCc1cccc(c1)F 62a_100000703298_100011217235 [0,1,0,0,0,1|1,0,1]=4 6554 B14R1.1025 CC(C#N)SCCc1cccc(c1)F 62a_100011217235_100000703298 [0,1,0,0,0,1|1,0,1]=4 6555 B14R1.1025 CC(CF)OCCc1cccc(c1)Br 34a_100016041109_100011740638 [0,1,0,0,0,1|1,0,1]=4 6556 B14R1.1025 CC(CF)OCCc1cccc(c1)Br 7a_100016041109_100011740638 [0,1,0,0,0,1|1,0,1]=4 6557 B14R1.1025 CC(CF)OCCc1cccc(c1)Cl 34a_100016041109_100011713710 [0,1,0,0,0,1|1,0,1]=4 6558 B14R1.1025 CC(CF)OCCc1cccc(c1)Cl 7a_100016041109_100011713710 [0,1,0,0,0,1|1,0,1]=4 6559 B14R1.1025 CC(CF)OCCc1cccc(c1)F 34a_100016041109_100011217235 [0,1,0,0,0,1|1,0,1]=4 6560 B14R1.1025 CC(CF)OCCc1cccc(c1)F 7a_100016041109_100011217235 [0,1,0,0,0,1|1,0,1]=4 6561 B14R1.1025 CC(CN)COCc1cccc(c1)Br 34a_100000744482_100000698116 [0,1,0,0,0,1|1,0,1]=4 6562 B14R1.1025 CC(CN)COCc1cccc(c1)Cl 34a_100000744482_100000187163 [0,1,0,0,0,1|1,0,1]=4 6563 B14R1.1025 CC(CN)COCc1cccc(c1)F 34a_100000744482_100000187166 [0,1,0,0,0,1|1,0,1]=4 6564 B14R1.1025 CC(CN)COCc1cccc(c1)I 34a_100000744482_100011218688 [0,1,0,0,0,1|1,0,1]=4 6565 B14R1.1025 CC(CN)COCc1cccc(c1)O 34a_100000744482_100011660834 [0,1,0,0,0,1|1,0,1]=4 6566 B14R1.1025 CC(CN)OCCc1cccc(c1)Br 34a_100000210904_100011740638 [0,1,0,0,0,1|1,0,1]=4 6567 B14R1.1025 CC(CN)OCCc1cccc(c1)Cl 34a_100000210904_100011713710 [0,1,0,0,0,1|1,0,1]=4 6568 B14R1.1025 CC(CN)OCCc1cccc(c1)F 34a_100000210904_100011217235 [0,1,0,0,0,1|1,0,1]=4 6569 B14R1.1025 CC(CO)CNCc1cccc(c1)Br 207a_100000744482_100000210085 [0,1,0,0,0,1|0,0,2]=4 6570 B14R1.1025 CC(CO)CNCc1cccc(c1)Br 34a_100000744482_100000698116 [0,1,0,0,0,1|0,0,2]=4 6571 B14R1.1025 CC(CO)CNCc1cccc(c1)Cl 207a_100000744482_100000210801 [0,1,0,0,0,1|0,0,2]=4 6572 B14R1.1025 CC(CO)CNCc1cccc(c1)Cl 34a_100000744482_100000187163 [0,1,0,0,0,1|0,0,2]=4 6573 B14R1.1025 CC(CO)CNCc1cccc(c1)F 207a_100000744482_100000210812 [0,1,0,0,0,1|0,0,2]=4 6574 B14R1.1025 CC(CO)CNCc1cccc(c1)F 34a_100000744482_100000187166 [0,1,0,0,0,1|0,0,2]=4 6575 B14R1.1025 CC(CO)CNCc1cccc(c1)I 207a_100000744482_100000014684 [0,1,0,0,0,1|0,0,2]=4 6576 B14R1.1025 CC(CO)CNCc1cccc(c1)I 34a_100000744482_100011218688 [0,1,0,0,0,1|0,0,2]=4 6577 B14R1.1025 CC(CO)CNCc1cccc(c1)O 207a_100000744482_100000188321 [0,1,0,0,0,1|0,0,2]=4 6578 B14R1.1025 CC(CO)CNCc1cccc(c1)O 34a_100000744482_100011660834 [0,1,0,0,0,1|0,0,2]=4 6579 B14R1.1025 CC(CO)NCCc1cccc(c1)Br 2230a_100011207229_100012180447 [0,1,0,0,0,1|0,0,2]=4 6580 B14R1.1025 CC(CO)NCCc1cccc(c1)Br 34a_100011207229_100012180447 [0,1,0,0,0,1|0,0,2]=4 6581 B14R1.1025 CC(CO)NCCc1cccc(c1)Cl 2230a_100000185263_100012180447 [0,1,0,0,0,1|0,0,2]=4 6582 B14R1.1025 CC(CO)NCCc1cccc(c1)Cl 34a_100000185263_100012180447 [0,1,0,0,0,1|0,0,2]=4 6583 B14R1.1025 CC(CO)NCCc1cccc(c1)F 2230a_100000205154_100012180447 [0,1,0,0,0,1|0,0,2]=4 6584 B14R1.1025 CC(CO)NCCc1cccc(c1)F 34a_100000205154_100012180447 [0,1,0,0,0,1|0,0,2]=4 6585 B14R1.1025 CC(CO)NCCc1cccc(c1)O 2230a_100000747277_100012180447 [0,1,0,0,0,1|0,0,2]=4 6586 B14R1.1025 CC(CO)NCCc1cccc(c1)O 34a_100000747277_100012180447 [0,1,0,0,0,1|0,0,2]=4 6587 B14R1.1025 CC(CO)OCCc1cccc(c1)Br 34a_100011217444_100012180447 [0,1,0,0,0,1|0,0,2]=4 6588 B14R1.1025 CC(CO)OCCc1cccc(c1)Br 7a_100011217444_100012180447 [0,1,0,0,0,1|0,0,2]=4 6589 B14R1.1025 CC(CO)OCCc1cccc(c1)Cl 34a_100000754733_100012180447 [0,1,0,0,0,1|0,0,2]=4 6590 B14R1.1025 CC(CO)OCCc1cccc(c1)Cl 7a_100000754733_100012180447 [0,1,0,0,0,1|0,0,2]=4 6591 B14R1.1025 CC(CO)OCCc1cccc(c1)F 34a_100000763591_100012180447 [0,1,0,0,0,1|0,0,2]=4 6592 B14R1.1025 CC(CO)OCCc1cccc(c1)F 7a_100000763591_100012180447 [0,1,0,0,0,1|0,0,2]=4 6593 B14R1.1025 CC(CO)OCCc1cccc(c1)N 34a_100011996697_100012180447 [0,1,0,0,0,1|0,0,2]=4 6594 B14R1.1025 CC(CO)SCCc1cccc(c1)Br 62a_100012180447_100011740638 [0,1,0,0,0,1|0,0,2]=4 6595 B14R1.1025 CC(CO)SCCc1cccc(c1)Cl 62a_100012180447_100011713710 [0,1,0,0,0,1|0,0,2]=4 6596 B14R1.1025 CC(CO)SCCc1cccc(c1)F 62a_100012180447_100011217235 [0,1,0,0,0,1|0,0,2]=4 6597 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 207a_100020588543_100000210085 [0,1,0,0,0,1|1,0,1]=4 6598 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000748023 [0,1,0,0,0,1|1,0,1]=4 6599 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 2230a_100020588543_100000698116 [0,1,0,0,0,1|1,0,1]=4 6600 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 26a_100020588543_100000210342 [0,1,0,0,0,1|1,0,1]=4 6601 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000243153 [0,1,0,0,0,1|1,0,1]=4 6602 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 270004a_100020588543_100000210085 [0,1,0,0,0,1|1,0,1]=4 6603 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 34a_100000174977_100000748023 [0,1,0,0,0,1|1,0,1]=4 6604 B14R1.1025 CCC(C)CNCc1cccc(c1)C 207a_100020588543_100000211157 [0,1,0,0,0,1|1,0,1]=4 6605 B14R1.1025 CCC(C)CNCc1cccc(c1)C 2230a_100000185548_100000748023 [0,1,0,0,0,1|1,0,1]=4 6606 B14R1.1025 CCC(C)CNCc1cccc(c1)C 2230a_100020588543_100000211840 [0,1,0,0,0,1|1,0,1]=4 6607 B14R1.1025 CCC(C)CNCc1cccc(c1)C 270004a_100000185548_100000243153 [0,1,0,0,0,1|1,0,1]=4 6608 B14R1.1025 CCC(C)CNCc1cccc(c1)C 270004a_100020588543_100000211157 [0,1,0,0,0,1|1,0,1]=4 6609 B14R1.1025 CCC(C)CNCc1cccc(c1)C 34a_100000185548_100000748023 [0,1,0,0,0,1|1,0,1]=4 6610 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 207a_100020588543_100000210801 [0,1,0,0,0,1|1,0,1]=4 6611 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000748023 [0,1,0,0,0,1|1,0,1]=4 6612 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 2230a_100020588543_100000181238 [0,1,0,0,0,1|1,0,1]=4 6613 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000243153 [0,1,0,0,0,1|1,0,1]=4 6614 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 270004a_100020588543_100000210801 [0,1,0,0,0,1|1,0,1]=4 6615 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000748023 [0,1,0,0,0,1|1,0,1]=4 6616 B14R1.1025 CCC(C)CNCc1cccc(c1)F 207a_100020588543_100000210812 [0,1,0,0,0,1|1,0,1]=4 6617 B14R1.1025 CCC(C)CNCc1cccc(c1)F 2230a_100000174948_100000748023 [0,1,0,0,0,1|1,0,1]=4 6618 B14R1.1025 CCC(C)CNCc1cccc(c1)F 2230a_100020588543_100000230114 [0,1,0,0,0,1|1,0,1]=4 6619 B14R1.1025 CCC(C)CNCc1cccc(c1)F 270004a_100000174948_100000243153 [0,1,0,0,0,1|1,0,1]=4 6620 B14R1.1025 CCC(C)CNCc1cccc(c1)F 270004a_100020588543_100000210812 [0,1,0,0,0,1|1,0,1]=4 6621 B14R1.1025 CCC(C)CNCc1cccc(c1)F 34a_100000174948_100000748023 [0,1,0,0,0,1|1,0,1]=4 6622 B14R1.1025 CCC(C)CNCc1cccc(c1)I 207a_100020588543_100000014684 [0,1,0,0,0,1|1,0,1]=4 6623 B14R1.1025 CCC(C)CNCc1cccc(c1)I 2230a_100000106179_100000748023 [0,1,0,0,0,1|1,0,1]=4 6624 B14R1.1025 CCC(C)CNCc1cccc(c1)I 2230a_100020588543_100011218688 [0,1,0,0,0,1|1,0,1]=4 6625 B14R1.1025 CCC(C)CNCc1cccc(c1)I 270004a_100000106179_100000243153 [0,1,0,0,0,1|1,0,1]=4 6626 B14R1.1025 CCC(C)CNCc1cccc(c1)I 270004a_100020588543_100000014684 [0,1,0,0,0,1|1,0,1]=4 6627 B14R1.1025 CCC(C)CNCc1cccc(c1)I 34a_100000106179_100000748023 [0,1,0,0,0,1|1,0,1]=4 6628 B14R1.1025 CCC(C)CNCc1cccc(c1)O 207a_100020588543_100000188321 [0,1,0,0,0,1|1,0,1]=4 6629 B14R1.1025 CCC(C)CNCc1cccc(c1)O 2230a_100000743036_100000748023 [0,1,0,0,0,1|1,0,1]=4 6630 B14R1.1025 CCC(C)CNCc1cccc(c1)O 2230a_100020588543_100011660834 [0,1,0,0,0,1|1,0,1]=4 6631 B14R1.1025 CCC(C)CNCc1cccc(c1)O 270004a_100000743036_100000243153 [0,1,0,0,0,1|1,0,1]=4 6632 B14R1.1025 CCC(C)CNCc1cccc(c1)O 270004a_100020588543_100000188321 [0,1,0,0,0,1|1,0,1]=4 6633 B14R1.1025 CCC(C)CNCc1cccc(c1)O 34a_100000743036_100000748023 [0,1,0,0,0,1|1,0,1]=4 6634 B14R1.1025 CCC(C)COCc1cccc(c1)Br 34a_100000687537_100000748023 [0,1,0,0,0,1|1,0,1]=4 6635 B14R1.1025 CCC(C)COCc1cccc(c1)Br 7a_100000687537_100000748023 [0,1,0,0,0,1|1,0,1]=4 6636 B14R1.1025 CCC(C)COCc1cccc(c1)C 34a_100011217746_100000748023 [0,1,0,0,0,1|1,0,1]=4 6637 B14R1.1025 CCC(C)COCc1cccc(c1)C 7a_100011217746_100000748023 [0,1,0,0,0,1|1,0,1]=4 6638 B14R1.1025 CCC(C)COCc1cccc(c1)Cl 34a_100000241301_100000748023 [0,1,0,0,0,1|1,0,1]=4 6639 B14R1.1025 CCC(C)COCc1cccc(c1)Cl 7a_100000241301_100000748023 [0,1,0,0,0,1|1,0,1]=4 6640 B14R1.1025 CCC(C)COCc1cccc(c1)F 34a_100000210976_100000748023 [0,1,0,0,0,1|1,0,1]=4 6641 B14R1.1025 CCC(C)COCc1cccc(c1)F 7a_100000210976_100000748023 [0,1,0,0,0,1|1,0,1]=4 6642 B14R1.1025 CCC(C)COCc1cccc(c1)I 34a_100011215336_100000748023 [0,1,0,0,0,1|1,0,1]=4 6643 B14R1.1025 CCC(C)COCc1cccc(c1)I 7a_100011215336_100000748023 [0,1,0,0,0,1|1,0,1]=4 6644 B14R1.1025 CCC(C)COCc1cccc(c1)N 34a_100000211919_100000748023 [0,1,0,0,0,1|1,0,1]=4 6645 B14R1.1025 CCC(C)CSCc1cccc(c1)Br 62a_100000211773_100000748023 [0,1,0,0,0,1|1,0,1]=4 6646 B14R1.1025 CCC(C)CSCc1cccc(c1)Br 62a_100000748023_100000211773 [0,1,0,0,0,1|1,0,1]=4 6647 B14R1.1025 CCC(C)CSCc1cccc(c1)C 62a_100000211840_100000748023 [0,1,0,0,0,1|1,0,1]=4 6648 B14R1.1025 CCC(C)CSCc1cccc(c1)C 62a_100000748023_100000211840 [0,1,0,0,0,1|1,0,1]=4 6649 B14R1.1025 CCC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000748023 [0,1,0,0,0,1|1,0,1]=4 6650 B14R1.1025 CCC(C)CSCc1cccc(c1)Cl 62a_100000748023_100000187163 [0,1,0,0,0,1|1,0,1]=4 6651 B14R1.1025 CCC(C)CSCc1cccc(c1)F 62a_100000230114_100000748023 [0,1,0,0,0,1|1,0,1]=4 6652 B14R1.1025 CCC(C)CSCc1cccc(c1)F 62a_100000748023_100000230114 [0,1,0,0,0,1|1,0,1]=4 6653 B14R1.1025 CCC(C)CSCc1cccc(c1)I 62a_100000748023_100011218688 [0,1,0,0,0,1|1,0,1]=4 6654 B14R1.1025 CCC(C)CSCc1cccc(c1)I 62a_100011218688_100000748023 [0,1,0,0,0,1|1,0,1]=4 6655 B14R1.1025 CCC(C)CSCc1cccc(c1)O 62a_100000748023_100011660834 [0,1,0,0,0,1|1,0,1]=4 6656 B14R1.1025 CCC(C)CSCc1cccc(c1)O 62a_100011660834_100000748023 [0,1,0,0,0,1|1,0,1]=4 6657 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 2230a_100000209981_100011740638 [0,1,0,0,0,1|1,0,1]=4 6658 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000758301 [0,1,0,0,0,1|1,0,1]=4 6659 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 34a_100011207229_100011215416 [0,1,0,0,0,1|1,0,1]=4 6660 B14R1.1025 CCC(C)NCCc1cccc(c1)C 2230a_100000209981_100011713685 [0,1,0,0,0,1|1,0,1]=4 6661 B14R1.1025 CCC(C)NCCc1cccc(c1)C 2230a_100000749837_100000758301 [0,1,0,0,0,1|1,0,1]=4 6662 B14R1.1025 CCC(C)NCCc1cccc(c1)C 34a_100000749837_100011215416 [0,1,0,0,0,1|1,0,1]=4 6663 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000758301 [0,1,0,0,0,1|1,0,1]=4 6664 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 2230a_100000209981_100011713710 [0,1,0,0,0,1|1,0,1]=4 6665 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 34a_100000185263_100011215416 [0,1,0,0,0,1|1,0,1]=4 6666 B14R1.1025 CCC(C)NCCc1cccc(c1)F 2230a_100000205154_100000758301 [0,1,0,0,0,1|1,0,1]=4 6667 B14R1.1025 CCC(C)NCCc1cccc(c1)F 2230a_100000209981_100011217235 [0,1,0,0,0,1|1,0,1]=4 6668 B14R1.1025 CCC(C)NCCc1cccc(c1)F 34a_100000205154_100011215416 [0,1,0,0,0,1|1,0,1]=4 6669 B14R1.1025 CCC(C)NCCc1cccc(c1)O 2230a_100000747277_100000758301 [0,1,0,0,0,1|1,0,1]=4 6670 B14R1.1025 CCC(C)NCCc1cccc(c1)O 34a_100000747277_100011215416 [0,1,0,0,0,1|1,0,1]=4 6671 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 34a_100011217444_100011215416 [0,1,0,0,0,1|1,0,1]=4 6672 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 7a_100000210228_100011740638 [0,1,0,0,0,1|1,0,1]=4 6673 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 7a_100011217444_100000758301 [0,1,0,0,0,1|1,0,1]=4 6674 B14R1.1025 CCC(C)OCCc1cccc(c1)C 34a_100011217157_100011215416 [0,1,0,0,0,1|1,0,1]=4 6675 B14R1.1025 CCC(C)OCCc1cccc(c1)C 7a_100000210228_100011713685 [0,1,0,0,0,1|1,0,1]=4 6676 B14R1.1025 CCC(C)OCCc1cccc(c1)C 7a_100011217157_100000758301 [0,1,0,0,0,1|1,0,1]=4 6677 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 34a_100000754733_100011215416 [0,1,0,0,0,1|1,0,1]=4 6678 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 7a_100000210228_100011713710 [0,1,0,0,0,1|1,0,1]=4 6679 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000758301 [0,1,0,0,0,1|1,0,1]=4 6680 B14R1.1025 CCC(C)OCCc1cccc(c1)F 34a_100000763591_100011215416 [0,1,0,0,0,1|1,0,1]=4 6681 B14R1.1025 CCC(C)OCCc1cccc(c1)F 7a_100000210228_100011217235 [0,1,0,0,0,1|1,0,1]=4 6682 B14R1.1025 CCC(C)OCCc1cccc(c1)F 7a_100000763591_100000758301 [0,1,0,0,0,1|1,0,1]=4 6683 B14R1.1025 CCC(C)OCCc1cccc(c1)N 34a_100011996697_100011215416 [0,1,0,0,0,1|1,0,1]=4 6684 B14R1.1025 CCC(C)SCCc1cccc(c1)Br 62a_100000758301_100011740638 [0,1,0,0,0,1|1,0,1]=4 6685 B14R1.1025 CCC(C)SCCc1cccc(c1)Br 62a_100011740638_100000758301 [0,1,0,0,0,1|1,0,1]=4 6686 B14R1.1025 CCC(C)SCCc1cccc(c1)C 62a_100000758301_100011713685 [0,1,0,0,0,1|1,0,1]=4 6687 B14R1.1025 CCC(C)SCCc1cccc(c1)C 62a_100011713685_100000758301 [0,1,0,0,0,1|1,0,1]=4 6688 B14R1.1025 CCC(C)SCCc1cccc(c1)Cl 62a_100000758301_100011713710 [0,1,0,0,0,1|1,0,1]=4 6689 B14R1.1025 CCC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000758301 [0,1,0,0,0,1|1,0,1]=4 6690 B14R1.1025 CCC(C)SCCc1cccc(c1)F 62a_100000758301_100011217235 [0,1,0,0,0,1|1,0,1]=4 6691 B14R1.1025 CCC(C)SCCc1cccc(c1)F 62a_100011217235_100000758301 [0,1,0,0,0,1|1,0,1]=4 6692 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Br 2230a_100000174977_100009816398 [0,1,0,0,0,1|1,0,1]=4 6693 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Br 34a_100000174977_100009816398 [0,1,0,0,0,1|1,0,1]=4 6694 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)C 2230a_100000185548_100009816398 [0,1,0,0,0,1|1,0,1]=4 6695 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)C 34a_100000185548_100009816398 [0,1,0,0,0,1|1,0,1]=4 6696 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Cl 2230a_100000174878_100009816398 [0,1,0,0,0,1|1,0,1]=4 6697 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Cl 34a_100000174878_100009816398 [0,1,0,0,0,1|1,0,1]=4 6698 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)F 2230a_100000174948_100009816398 [0,1,0,0,0,1|1,0,1]=4 6699 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)F 34a_100000174948_100009816398 [0,1,0,0,0,1|1,0,1]=4 6700 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)I 2230a_100000106179_100009816398 [0,1,0,0,0,1|1,0,1]=4 6701 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)I 34a_100000106179_100009816398 [0,1,0,0,0,1|1,0,1]=4 6702 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)O 2230a_100000743036_100009816398 [0,1,0,0,0,1|1,0,1]=4 6703 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)O 34a_100000743036_100009816398 [0,1,0,0,0,1|1,0,1]=4 6704 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 34a_100000687537_100009816398 [0,1,0,0,0,1|1,0,1]=4 6705 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 7a_100000687537_100009816398 [0,1,0,0,0,1|1,0,1]=4 6706 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 7a_100009816381_100000211773 [0,1,0,0,0,1|1,0,1]=4 6707 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 34a_100011217746_100009816398 [0,1,0,0,0,1|1,0,1]=4 6708 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 7a_100009816381_100000211840 [0,1,0,0,0,1|1,0,1]=4 6709 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 7a_100011217746_100009816398 [0,1,0,0,0,1|1,0,1]=4 6710 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 34a_100000241301_100009816398 [0,1,0,0,0,1|1,0,1]=4 6711 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 7a_100000241301_100009816398 [0,1,0,0,0,1|1,0,1]=4 6712 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 7a_100009816381_100000187163 [0,1,0,0,0,1|1,0,1]=4 6713 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 34a_100000210976_100009816398 [0,1,0,0,0,1|1,0,1]=4 6714 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 7a_100000210976_100009816398 [0,1,0,0,0,1|1,0,1]=4 6715 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 7a_100009816381_100000230114 [0,1,0,0,0,1|1,0,1]=4 6716 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 34a_100011215336_100009816398 [0,1,0,0,0,1|1,0,1]=4 6717 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 7a_100009816381_100011218688 [0,1,0,0,0,1|1,0,1]=4 6718 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 7a_100011215336_100009816398 [0,1,0,0,0,1|1,0,1]=4 6719 B14R1.1025 CC[C@H](C)COCc1cccc(c1)N 34a_100000211919_100009816398 [0,1,0,0,0,1|1,0,1]=4 6720 B14R1.1025 CC[C@H](C)COCc1cccc(c1)O 7a_100009816381_100000084143 [0,1,0,0,0,1|1,0,1]=4 6721 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Br 62a_100000211773_100009816398 [0,1,0,0,0,1|1,0,1]=4 6722 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Br 62a_100009816398_100000211773 [0,1,0,0,0,1|1,0,1]=4 6723 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)C 62a_100000211840_100009816398 [0,1,0,0,0,1|1,0,1]=4 6724 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)C 62a_100009816398_100000211840 [0,1,0,0,0,1|1,0,1]=4 6725 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Cl 62a_100000187163_100009816398 [0,1,0,0,0,1|1,0,1]=4 6726 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Cl 62a_100009816398_100000187163 [0,1,0,0,0,1|1,0,1]=4 6727 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)F 62a_100000230114_100009816398 [0,1,0,0,0,1|1,0,1]=4 6728 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)F 62a_100009816398_100000230114 [0,1,0,0,0,1|1,0,1]=4 6729 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)I 62a_100009816398_100011218688 [0,1,0,0,0,1|1,0,1]=4 6730 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)I 62a_100011218688_100009816398 [0,1,0,0,0,1|1,0,1]=4 6731 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)O 62a_100009816398_100011660834 [0,1,0,0,0,1|1,0,1]=4 6732 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)O 62a_100011660834_100009816398 [0,1,0,0,0,1|1,0,1]=4 6733 B14R1.1025 COC(C)COCc1cccc(c1)Br 34a_100000690652_100000698116 [0,1,0,0,0,1|2,0,0]=4 6734 B14R1.1025 COC(C)COCc1cccc(c1)C 34a_100000690652_100000211840 [0,1,0,0,0,1|2,0,0]=4 6735 B14R1.1025 COC(C)COCc1cccc(c1)Cl 34a_100000690652_100000187163 [0,1,0,0,0,1|2,0,0]=4 6736 B14R1.1025 COC(C)COCc1cccc(c1)F 34a_100000690652_100000187166 [0,1,0,0,0,1|2,0,0]=4 6737 B14R1.1025 COC(C)COCc1cccc(c1)I 34a_100000690652_100011218688 [0,1,0,0,0,1|2,0,0]=4 6738 B14R1.1025 COC(C)COCc1cccc(c1)O 34a_100000690652_100011660834 [0,1,0,0,0,1|2,0,0]=4 6739 B14R1.1025 COC(C)SCCc1cccc(c1)Br 62a_100009879195_100011740638 [0,1,0,0,0,1|2,0,0]=4 6740 B14R1.1025 COC(C)SCCc1cccc(c1)Br 62a_100011740638_100009879195 [0,1,0,0,0,1|2,0,0]=4 6741 B14R1.1025 COC(C)SCCc1cccc(c1)C 62a_100009879195_100011713685 [0,1,0,0,0,1|2,0,0]=4 6742 B14R1.1025 COC(C)SCCc1cccc(c1)C 62a_100011713685_100009879195 [0,1,0,0,0,1|2,0,0]=4 6743 B14R1.1025 COC(C)SCCc1cccc(c1)Cl 62a_100009879195_100011713710 [0,1,0,0,0,1|2,0,0]=4 6744 B14R1.1025 COC(C)SCCc1cccc(c1)Cl 62a_100011713710_100009879195 [0,1,0,0,0,1|2,0,0]=4 6745 B14R1.1025 COC(C)SCCc1cccc(c1)F 62a_100009879195_100011217235 [0,1,0,0,0,1|2,0,0]=4 6746 B14R1.1025 COC(C)SCCc1cccc(c1)F 62a_100011217235_100009879195 [0,1,0,0,0,1|2,0,0]=4 6747 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Br 207a_100020591295_100000210085 [0,1,0,0,0,1|2,0,0]=4 6748 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Br 2230a_100020591295_100000698116 [0,1,0,0,0,1|2,0,0]=4 6749 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Br 270004a_100020591295_100000210085 [0,1,0,0,0,1|2,0,0]=4 6750 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)C 207a_100020591295_100000211157 [0,1,0,0,0,1|2,0,0]=4 6751 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)C 2230a_100020591295_100000211840 [0,1,0,0,0,1|2,0,0]=4 6752 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)C 270004a_100020591295_100000211157 [0,1,0,0,0,1|2,0,0]=4 6753 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Cl 207a_100020591295_100000210801 [0,1,0,0,0,1|2,0,0]=4 6754 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Cl 2230a_100020591295_100000181238 [0,1,0,0,0,1|2,0,0]=4 6755 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)Cl 270004a_100020591295_100000210801 [0,1,0,0,0,1|2,0,0]=4 6756 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)F 207a_100020591295_100000210812 [0,1,0,0,0,1|2,0,0]=4 6757 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)F 2230a_100020591295_100000230114 [0,1,0,0,0,1|2,0,0]=4 6758 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)F 270004a_100020591295_100000210812 [0,1,0,0,0,1|2,0,0]=4 6759 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)I 207a_100020591295_100000014684 [0,1,0,0,0,1|2,0,0]=4 6760 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)I 2230a_100020591295_100011218688 [0,1,0,0,0,1|2,0,0]=4 6761 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)I 270004a_100020591295_100000014684 [0,1,0,0,0,1|2,0,0]=4 6762 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)O 207a_100020591295_100000188321 [0,1,0,0,0,1|2,0,0]=4 6763 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)O 2230a_100020591295_100011660834 [0,1,0,0,0,1|2,0,0]=4 6764 B14R1.1025 CO[C@H](C)CNCc1cccc(c1)O 270004a_100020591295_100000188321 [0,1,0,0,0,1|2,0,0]=4 6765 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Br 2230a_100000174977_100000059175 [0,1,0,0,0,1|0,0,2]=4 6766 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Br 34a_100000174977_100000059175 [0,1,0,0,0,1|0,0,2]=4 6767 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Cl 2230a_100000174878_100000059175 [0,1,0,0,0,1|0,0,2]=4 6768 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Cl 34a_100000174878_100000059175 [0,1,0,0,0,1|0,0,2]=4 6769 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)F 2230a_100000174948_100000059175 [0,1,0,0,0,1|0,0,2]=4 6770 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)F 34a_100000174948_100000059175 [0,1,0,0,0,1|0,0,2]=4 6771 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)I 2230a_100000106179_100000059175 [0,1,0,0,0,1|0,0,2]=4 6772 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)I 34a_100000106179_100000059175 [0,1,0,0,0,1|0,0,2]=4 6773 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)O 2230a_100000743036_100000059175 [0,1,0,0,0,1|0,0,2]=4 6774 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)O 34a_100000743036_100000059175 [0,1,0,0,0,1|0,0,2]=4 6775 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Br 34a_100000687537_100000059175 [0,1,0,0,0,1|0,0,2]=4 6776 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Br 7a_100000687537_100000059175 [0,1,0,0,0,1|0,0,2]=4 6777 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Cl 34a_100000241301_100000059175 [0,1,0,0,0,1|0,0,2]=4 6778 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Cl 7a_100000241301_100000059175 [0,1,0,0,0,1|0,0,2]=4 6779 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)F 34a_100000210976_100000059175 [0,1,0,0,0,1|0,0,2]=4 6780 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)F 7a_100000210976_100000059175 [0,1,0,0,0,1|0,0,2]=4 6781 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)I 34a_100011215336_100000059175 [0,1,0,0,0,1|0,0,2]=4 6782 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)I 7a_100011215336_100000059175 [0,1,0,0,0,1|0,0,2]=4 6783 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)N 34a_100000211919_100000059175 [0,1,0,0,0,1|0,0,2]=4 6784 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000059175_100000211773 [0,1,0,0,0,1|0,0,2]=4 6785 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000211773_100000059175 [0,1,0,0,0,1|0,0,2]=4 6786 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000059175_100000187163 [0,1,0,0,0,1|0,0,2]=4 6787 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000187163_100000059175 [0,1,0,0,0,1|0,0,2]=4 6788 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000059175_100000230114 [0,1,0,0,0,1|0,0,2]=4 6789 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000230114_100000059175 [0,1,0,0,0,1|0,0,2]=4 6790 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100000059175_100011218688 [0,1,0,0,0,1|0,0,2]=4 6791 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100011218688_100000059175 [0,1,0,0,0,1|0,0,2]=4 6792 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100000059175_100011660834 [0,1,0,0,0,1|0,0,2]=4 6793 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100011660834_100000059175 [0,1,0,0,0,1|0,0,2]=4 6794 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)Br 2230a_100000737577_100011740638 [0,1,0,0,0,1|0,0,2]=4 6795 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)Cl 2230a_100000737577_100011713710 [0,1,0,0,0,1|0,0,2]=4 6796 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)F 2230a_100000737577_100011217235 [0,1,0,0,0,1|0,0,2]=4 6797 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Br 62a_100011740638_100016084084 [0,1,0,0,0,1|0,0,2]=4 6798 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Br 62a_100016084084_100011740638 [0,1,0,0,0,1|0,0,2]=4 6799 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Cl 62a_100011713710_100016084084 [0,1,0,0,0,1|0,0,2]=4 6800 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Cl 62a_100016084084_100011713710 [0,1,0,0,0,1|0,0,2]=4 6801 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)F 62a_100011217235_100016084084 [0,1,0,0,0,1|0,0,2]=4 6802 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)F 62a_100016084084_100011217235 [0,1,0,0,0,1|0,0,2]=4 6803 B14R1.1025 Cc1cccc(c1)CCNC(C)C#N 2230a_100000737613_100011713685 [0,1,0,0,0,1|1,0,1]=4 6804 B14R1.1025 Cc1cccc(c1)CCNC(C)C#N 2230a_100000749837_100000184139 [0,1,0,0,0,1|1,0,1]=4 6805 B14R1.1025 Cc1cccc(c1)CCNC(C)CO 2230a_100000749837_100012180447 [0,1,0,0,0,1|0,0,2]=4 6806 B14R1.1025 Cc1cccc(c1)CCNC(C)CO 34a_100000749837_100012180447 [0,1,0,0,0,1|0,0,2]=4 6807 B14R1.1025 Cc1cccc(c1)CCN[C@H](C)CO 2230a_100000737577_100011713685 [0,1,0,0,0,1|0,0,2]=4 6808 B14R1.1025 Cc1cccc(c1)CCOC(C)C#N 34a_100011218135_100011713685 [0,1,0,0,0,1|1,0,1]=4 6809 B14R1.1025 Cc1cccc(c1)CCOC(C)C#N 7a_100011217157_100000703298 [0,1,0,0,0,1|1,0,1]=4 6810 B14R1.1025 Cc1cccc(c1)CCOC(C)CF 34a_100016041109_100011713685 [0,1,0,0,0,1|1,0,1]=4 6811 B14R1.1025 Cc1cccc(c1)CCOC(C)CF 7a_100016041109_100011713685 [0,1,0,0,0,1|1,0,1]=4 6812 B14R1.1025 Cc1cccc(c1)CCOC(C)CN 34a_100000210904_100011713685 [0,1,0,0,0,1|1,0,1]=4 6813 B14R1.1025 Cc1cccc(c1)CCOC(C)CO 34a_100011217157_100012180447 [0,1,0,0,0,1|0,0,2]=4 6814 B14R1.1025 Cc1cccc(c1)CCOC(C)CO 7a_100011217157_100012180447 [0,1,0,0,0,1|0,0,2]=4 6815 B14R1.1025 Cc1cccc(c1)CCSC(C)C#N 62a_100000703298_100011713685 [0,1,0,0,0,1|1,0,1]=4 6816 B14R1.1025 Cc1cccc(c1)CCSC(C)C#N 62a_100011713685_100000703298 [0,1,0,0,0,1|1,0,1]=4 6817 B14R1.1025 Cc1cccc(c1)CCSC(C)CO 62a_100012180447_100011713685 [0,1,0,0,0,1|0,0,2]=4 6818 B14R1.1025 Cc1cccc(c1)CCS[C@H](C)CO 62a_100011713685_100016084084 [0,1,0,0,0,1|0,0,2]=4 6819 B14R1.1025 Cc1cccc(c1)CCS[C@H](C)CO 62a_100016084084_100011713685 [0,1,0,0,0,1|0,0,2]=4 6820 B14R1.1025 Cc1cccc(c1)CNCC(C)CO 207a_100000744482_100000211157 [0,1,0,0,0,1|0,0,2]=4 6821 B14R1.1025 Cc1cccc(c1)CNCC(C)CO 34a_100000744482_100000211840 [0,1,0,0,0,1|0,0,2]=4 6822 B14R1.1025 Cc1cccc(c1)CNC[C@@H](C)CO 2230a_100000185548_100000059175 [0,1,0,0,0,1|0,0,2]=4 6823 B14R1.1025 Cc1cccc(c1)CNC[C@@H](C)CO 34a_100000185548_100000059175 [0,1,0,0,0,1|0,0,2]=4 6824 B14R1.1025 Cc1cccc(c1)COCC(C)CN 34a_100000744482_100000211840 [0,1,0,0,0,1|1,0,1]=4 6825 B14R1.1025 Cc1cccc(c1)COC[C@@H](C)CO 34a_100011217746_100000059175 [0,1,0,0,0,1|0,0,2]=4 6826 B14R1.1025 Cc1cccc(c1)COC[C@@H](C)CO 7a_100011217746_100000059175 [0,1,0,0,0,1|0,0,2]=4 6827 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000059175_100000211840 [0,1,0,0,0,1|0,0,2]=4 6828 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000211840_100000059175 [0,1,0,0,0,1|0,0,2]=4 6829 B14R1.6449 C=C(C)C(C)NCCc1ccccc1 269862a_100000106460_100011216138 [0,1,0,0,0,1|1,0,0]=3 6830 B14R1.6449 C=C(C)C(C)NCCc1ccccn1 269862a_100000211156_100011216138 [0,1,0,0,0,1|2,0,0]=4 6831 B14R1.6449 C=C(C)C(C)NCCc1cccnc1 269862a_100000736294_100011216138 [0,1,0,0,0,1|2,0,0]=4 6832 B14R1.6449 C=C(C)C(C)NCCc1ccncc1 269862a_100000742849_100011216138 [0,1,0,0,0,1|2,0,0]=4 6833 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 34a_100015324214_100011261029 [0,1,0,0,0,1|1,0,1]=4 6834 B14R1.6449 CC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011261029 [0,1,0,0,0,1|1,0,1]=4 6835 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011261029 [0,1,0,0,0,1|1,0,1]=4 6836 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100011261029_100015291786 [0,1,0,0,0,1|1,0,1]=4 6837 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,1,0,0,0,1|0,0,0]=2 6838 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,1,0,0,0,1|0,0,0]=2 6839 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,1,0,0,0,1|0,0,0]=2 6840 B14R1.6449 CC(=O)C(C)COCc1ccccn1 34a_100000032740_100000721315 [0,1,0,0,0,1|1,0,0]=3 6841 B14R1.6449 CC(=O)C(C)COCc1ccccn1 7a_100000032740_100000721315 [0,1,0,0,0,1|1,0,0]=3 6842 B14R1.6449 CC(=O)C(C)COCc1cccnc1 34a_100000032740_100000733263 [0,1,0,0,0,1|1,0,0]=3 6843 B14R1.6449 CC(=O)C(C)COCc1cccnc1 7a_100000032740_100000741622 [0,1,0,0,0,1|1,0,0]=3 6844 B14R1.6449 CC(=O)C(C)COCc1cccnn1 34a_100000032740_100016990269 [0,1,0,0,0,1|2,0,0]=4 6845 B14R1.6449 CC(=O)C(C)COCc1cccnn1 7a_100000032740_100016990269 [0,1,0,0,0,1|2,0,0]=4 6846 B14R1.6449 CC(=O)C(C)COCc1ccncc1 7a_100000032740_100015193705 [0,1,0,0,0,1|1,0,0]=3 6847 B14R1.6449 CC(=O)C(C)COCc1cnccn1 34a_100000032740_100016995436 [0,1,0,0,0,1|2,0,0]=4 6848 B14R1.6449 CC(=O)C(C)COCc1cnccn1 7a_100000032740_100016995436 [0,1,0,0,0,1|2,0,0]=4 6849 B14R1.6449 CC(=O)C(C)COCc1cncnc1 34a_100000032740_100015196519 [0,1,0,0,0,1|2,0,0]=4 6850 B14R1.6449 CC(=O)C(C)COCc1cncnc1 7a_100000032740_100015196519 [0,1,0,0,0,1|2,0,0]=4 6851 B14R1.6449 CC(=O)C(C)COCc1ncccn1 34a_100000032740_100000703007 [0,1,0,0,0,1|2,0,0]=4 6852 B14R1.6449 CC(=O)C(C)COCc1ncccn1 7a_100000032740_100000703007 [0,1,0,0,0,1|2,0,0]=4 6853 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,1,0,0,0,1|0,0,0]=2 6854 B14R1.6449 CC(=O)C(C)NCCc1cccnc1 2230a_100000736294_100009814033 [0,1,0,0,0,1|1,0,0]=3 6855 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,1,0,0,0,1|0,0,0]=2 6856 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,1,0,0,0,1|0,0,0]=2 6857 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,1,0,0,0,1|0,0,0]=2 6858 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,1,0,0,0,1|0,0,0]=2 6859 B14R1.6449 CC(=O)C(C)SCCc1ccccn1 62a_100009814033_100015183660 [0,1,0,0,0,1|1,0,0]=3 6860 B14R1.6449 CC(=O)C(C)SCCc1ccccn1 62a_100015183660_100009814033 [0,1,0,0,0,1|1,0,0]=3 6861 B14R1.6449 CC(=O)C(C)SCCc1cccnc1 62a_100009814033_200011713674 [0,1,0,0,0,1|1,0,0]=3 6862 B14R1.6449 CC(=O)C(C)SCCc1cccnc1 62a_200011713674_100009814033 [0,1,0,0,0,1|1,0,0]=3 6863 B14R1.6449 CC(=O)C(C)SCCc1ccncc1 62a_100000723409_100009814033 [0,1,0,0,0,1|1,0,0]=3 6864 B14R1.6449 CC(=O)C(C)SCCc1ccncc1 62a_100009814033_100000723409 [0,1,0,0,0,1|1,0,0]=3 6865 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100009814033_100011218342 [0,1,0,0,0,1|1,0,0]=3 6866 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100011218342_100009814033 [0,1,0,0,0,1|1,0,0]=3 6867 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 11a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 6868 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 6869 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100015343762 [0,1,0,0,0,1|1,0,0]=3 6870 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 527a_100000693637_100103153847 [0,1,0,0,0,1|1,0,0]=3 6871 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 11a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6872 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 1626a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6873 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 240690a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6874 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 527a_100000184383_100103153847 [0,1,0,0,0,1|1,0,0]=3 6875 B14R1.6449 CC(C)C(C)NCCc1ccccc1 2230a_100000211541_100000765856 [0,1,0,0,0,1|1,0,1]=4 6876 B14R1.6449 CC(C)C(C)OCCc1ccccc1 7a_100000748068_100000765856 [0,1,0,0,0,1|1,0,1]=4 6877 B14R1.6449 CC(CCCc1ccccc1)N(C)C 2230a_100102631434_200010759516 [0,1,0,0,0,1|2,0,0]=4 6878 B14R1.6449 CC(CCCc1ccccc1)N(C)C 269982a_100102631434_200010759516 [0,1,0,0,0,1|2,0,0]=4 6879 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,1,0,0,0,1|0,0,0]=2 6880 B14R1.6449 CC(CNCc1ccccn1)C(=O)O 269956a_100000749485_100000721315 [0,1,0,0,0,1|1,0,0]=3 6881 B14R1.6449 CC(CNCc1cccnc1)C(=O)O 269956a_100000749485_100000733263 [0,1,0,0,0,1|1,0,0]=3 6882 B14R1.6449 CC(CNCc1cccnn1)C(=O)O 269956a_100000749485_100016990269 [0,1,0,0,0,1|2,0,0]=4 6883 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [0,1,0,0,0,1|1,0,0]=3 6884 B14R1.6449 CC(CNCc1cnccn1)C(=O)O 269956a_100000749485_100016995436 [0,1,0,0,0,1|2,0,0]=4 6885 B14R1.6449 CC(CNCc1cncnc1)C(=O)O 269956a_100000749485_100016991940 [0,1,0,0,0,1|2,0,0]=4 6886 B14R1.6449 CC(CNCc1ncccn1)C(=O)O 269956a_100000749485_100000703007 [0,1,0,0,0,1|2,0,0]=4 6887 B14R1.6449 CC(COCc1ccccc1)N(C)C 270004a_100102631434_100011215004 [0,1,0,0,0,1|2,0,0]=4 6888 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 34a_100000039676_100015291786 [0,1,0,0,0,1|1,0,0]=3 6889 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 7a_100000039676_100000211182 [0,1,0,0,0,1|1,0,0]=3 6890 B14R1.6449 CC(COCc1ccccn1)[N+](=O)[O-] 34a_100000039676_100000721315 [0,1,0,0,0,1|2,0,0]=4 6891 B14R1.6449 CC(COCc1ccccn1)[N+](=O)[O-] 7a_100000039676_100000721315 [0,1,0,0,0,1|2,0,0]=4 6892 B14R1.6449 CC(COCc1cccnc1)[N+](=O)[O-] 34a_100000039676_100000733263 [0,1,0,0,0,1|2,0,0]=4 6893 B14R1.6449 CC(COCc1cccnc1)[N+](=O)[O-] 7a_100000039676_100000741622 [0,1,0,0,0,1|2,0,0]=4 6894 B14R1.6449 CC(COCc1ccncc1)[N+](=O)[O-] 7a_100000039676_100015193705 [0,1,0,0,0,1|2,0,0]=4 6895 B14R1.6449 CC(CSCc1ccccc1)N(C)C 270004a_100102631434_100000172147 [0,1,0,0,0,1|2,0,0]=4 6896 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,1,0,0,0,1|0,0,0]=2 6897 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,1,0,0,0,1|0,0,0]=2 6898 B14R1.6449 CC(NCCc1cccnc1)C(=O)N 2230a_100000736294_100000702099 [0,1,0,0,0,1|1,0,0]=3 6899 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,1,0,0,0,1|0,0,0]=2 6900 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,1,0,0,0,1|0,0,0]=2 6901 B14R1.6449 CC(OCCc1ccccn1)C(=O)N 34a_100000210271_100000702099 [0,1,0,0,0,1|1,0,0]=3 6902 B14R1.6449 CC(OCCc1cccnc1)C(=O)N 34a_100011217484_100000702099 [0,1,0,0,0,1|1,0,0]=3 6903 B14R1.6449 CC(OCCc1ccncc1)C(=O)N 34a_100011216225_100000702099 [0,1,0,0,0,1|1,0,0]=3 6904 B14R1.6449 CC(OCCc1cnccn1)C(=O)N 34a_100011349526_100000702099 [0,1,0,0,0,1|2,0,0]=4 6905 B14R1.6449 CC(OCCc1cncnc1)C(=O)N 34a_100011709255_100000702099 [0,1,0,0,0,1|2,0,0]=4 6906 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,1,0,0,0,1|0,0,0]=2 6907 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,1,0,0,0,1|0,0,0]=2 6908 B14R1.6449 CC(SCCc1ccccn1)C(=O)N 62a_100000702099_100015183660 [0,1,0,0,0,1|1,0,0]=3 6909 B14R1.6449 CC(SCCc1ccccn1)C(=O)N 62a_100015183660_100000702099 [0,1,0,0,0,1|1,0,0]=3 6910 B14R1.6449 CC(SCCc1cccnc1)C(=O)N 62a_100000702099_200011713674 [0,1,0,0,0,1|1,0,0]=3 6911 B14R1.6449 CC(SCCc1cccnc1)C(=O)N 62a_200011713674_100000702099 [0,1,0,0,0,1|1,0,0]=3 6912 B14R1.6449 CC(SCCc1ccncc1)C(=O)N 62a_100000702099_100000723409 [0,1,0,0,0,1|1,0,0]=3 6913 B14R1.6449 CC(SCCc1ccncc1)C(=O)N 62a_100000723409_100000702099 [0,1,0,0,0,1|1,0,0]=3 6914 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100000702099_100011218342 [0,1,0,0,0,1|1,0,0]=3 6915 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100011218342_100000702099 [0,1,0,0,0,1|1,0,0]=3 6916 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,1,0,0,0,1|0,0,0]=2 6917 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,1,0,0,0,1|0,0,0]=2 6918 B14R1.6449 C[C@@H](NCCc1ccccn1)C(=O)N 2230a_100000119354_100015183660 [0,1,0,0,0,1|1,0,0]=3 6919 B14R1.6449 C[C@@H](NCCc1cccnc1)C(=O)N 2230a_100000119354_200011713674 [0,1,0,0,0,1|1,0,0]=3 6920 B14R1.6449 C[C@@H](NCCc1ccncc1)C(=O)N 2230a_100000119354_100000723409 [0,1,0,0,0,1|1,0,0]=3 6921 B14R1.6449 C[C@@H](NCSc1ccccc1)C(=O)N 2230a_100000119354_100011218342 [0,1,0,0,0,1|1,0,0]=3 6922 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,1,0,0,0,1|0,0,0]=2 6923 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,1,0,0,0,1|0,0,0]=2 6924 B14R1.6449 C[C@@H](OCCc1ccccn1)C(=O)N 7a_100000731257_100015183660 [0,1,0,0,0,1|1,0,0]=3 6925 B14R1.6449 C[C@@H](OCCc1cccnc1)C(=O)N 7a_100000731257_200011713674 [0,1,0,0,0,1|1,0,0]=3 6926 B14R1.6449 C[C@@H](OCCc1ccncc1)C(=O)N 7a_100000731257_100000723409 [0,1,0,0,0,1|1,0,0]=3 6927 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,1,0,0,0,1|0,0,0]=2 6928 B14R1.6449 C[C@H](NCCc1ccccn1)C(=O)O 269956a_100000743915_100015183660 [0,1,0,0,0,1|1,0,0]=3 6929 B14R1.6449 C[C@H](NCCc1cccnc1)C(=O)O 269956a_100000743915_200011713674 [0,1,0,0,0,1|1,0,0]=3 6930 B14R1.6449 C[C@H](NCCc1ccncc1)C(=O)O 269956a_100000743915_100000723409 [0,1,0,0,0,1|1,0,0]=3 6931 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,1,0,0,0,1|1,0,0]=3 6932 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,1,0,0,0,1|0,0,0]=2 6933 B14R1.6449 C[C@H](OCCc1ccccn1)C(=O)[O-] 7a_217856618621_100015183660 [0,1,0,0,0,1|1,0,0]=3 6934 B14R1.6449 C[C@H](OCCc1cccnc1)C(=O)[O-] 7a_217856618621_200011713674 [0,1,0,0,0,1|1,0,0]=3 6935 B14R1.6449 C[C@H](OCCc1ccncc1)C(=O)[O-] 7a_217856618621_100000723409 [0,1,0,0,0,1|1,0,0]=3 6936 B14R1.6449 NC(=O)C(=O)NCCc1ccccc1 240690a_100000106460_100011215815 [0,1,0,0,0,1|1,0,1]=4 6937 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 2230a_100000106460_100009813875 [0,1,0,0,0,1|1,0,0]=3 6938 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 34a_100000106460_100009813875 [0,1,0,0,0,1|1,0,0]=3 6939 B14R1.6449 NC(=O)C(F)NCCc1cccnc1 2230a_100000736294_100009813875 [0,1,0,0,0,1|2,0,0]=4 6940 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 34a_100000210268_100009813875 [0,1,0,0,0,1|1,0,0]=3 6941 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 7a_100000210268_100009813875 [0,1,0,0,0,1|1,0,0]=3 6942 B14R1.6449 NC(=O)C(F)OCCc1ccccn1 34a_100000210271_100009813875 [0,1,0,0,0,1|2,0,0]=4 6943 B14R1.6449 NC(=O)C(F)OCCc1cccnc1 34a_100011217484_100009813875 [0,1,0,0,0,1|2,0,0]=4 6944 B14R1.6449 NC(=O)C(F)OCCc1ccncc1 34a_100011216225_100009813875 [0,1,0,0,0,1|2,0,0]=4 6945 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100000765856_100009813875 [0,1,0,0,0,1|1,0,0]=3 6946 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100009813875_100011218657 [0,1,0,0,0,1|1,0,0]=3 6947 B14R1.6449 NC(=O)C(F)SCCc1ccccn1 62a_100009813875_100015183660 [0,1,0,0,0,1|2,0,0]=4 6948 B14R1.6449 NC(=O)C(F)SCCc1ccccn1 62a_100015183660_100009813875 [0,1,0,0,0,1|2,0,0]=4 6949 B14R1.6449 NC(=O)C(F)SCCc1cccnc1 62a_100009813875_200011713674 [0,1,0,0,0,1|2,0,0]=4 6950 B14R1.6449 NC(=O)C(F)SCCc1cccnc1 62a_200011713674_100009813875 [0,1,0,0,0,1|2,0,0]=4 6951 B14R1.6449 NC(=O)C(F)SCCc1ccncc1 62a_100000723409_100009813875 [0,1,0,0,0,1|2,0,0]=4 6952 B14R1.6449 NC(=O)C(F)SCCc1ccncc1 62a_100009813875_100000723409 [0,1,0,0,0,1|2,0,0]=4 6953 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100009813875_100011218342 [0,1,0,0,0,1|2,0,0]=4 6954 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100011218342_100009813875 [0,1,0,0,0,1|2,0,0]=4 6955 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,1,0,0,0,1|1,0,0]=3 6956 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccn1 34a_100000729942_100000721315 [0,1,0,0,0,1|2,0,0]=4 6957 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnc1 34a_100000729942_100000733263 [0,1,0,0,0,1|2,0,0]=4 6958 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,1,0,0,0,1|1,0,0]=3 6959 B14R1.6449 O=C(O)C(F)CNCc1ccccn1 269956a_100000084737_100000721315 [0,1,0,0,0,1|2,0,0]=4 6960 B14R1.6449 O=C(O)C(F)CNCc1cccnc1 269956a_100000084737_100000733263 [0,1,0,0,0,1|2,0,0]=4 6961 B14R1.6449 O=C(O)C(F)CNCc1ccncc1 269956a_100000084737_100015193705 [0,1,0,0,0,1|2,0,0]=4 6962 B14R1.6449 O=C([O-])C(F)NCCc1ccccc1 34a_100000106460_100020610796 [0,1,0,0,0,1|1,0,0]=3 6963 B14R1.6449 O=C([O-])C(F)OCCc1ccccc1 34a_100000210268_100020610796 [0,1,0,0,0,1|1,0,0]=3 6964 B14R1.6449 O=C([O-])C(F)OCCc1ccccn1 34a_100000210271_100020610796 [0,1,0,0,0,1|2,0,0]=4 6965 B14R1.6449 O=C([O-])C(F)OCCc1cccnc1 34a_100011217484_100020610796 [0,1,0,0,0,1|2,0,0]=4 6966 B14R1.6449 O=C([O-])C(F)OCCc1ccncc1 34a_100011216225_100020610796 [0,1,0,0,0,1|2,0,0]=4 6967 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100000765856_100020610796 [0,1,0,0,0,1|1,0,0]=3 6968 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100020610796_100011218657 [0,1,0,0,0,1|1,0,0]=3 6969 B14R1.6449 O=C([O-])C(F)SCCc1ccccn1 62a_100015183660_100020610796 [0,1,0,0,0,1|2,0,0]=4 6970 B14R1.6449 O=C([O-])C(F)SCCc1ccccn1 62a_100020610796_100015183660 [0,1,0,0,0,1|2,0,0]=4 6971 B14R1.6449 O=C([O-])C(F)SCCc1cccnc1 62a_100020610796_200011713674 [0,1,0,0,0,1|2,0,0]=4 6972 B14R1.6449 O=C([O-])C(F)SCCc1cccnc1 62a_200011713674_100020610796 [0,1,0,0,0,1|2,0,0]=4 6973 B14R1.6449 O=C([O-])C(F)SCCc1ccncc1 62a_100000723409_100020610796 [0,1,0,0,0,1|2,0,0]=4 6974 B14R1.6449 O=C([O-])C(F)SCCc1ccncc1 62a_100020610796_100000723409 [0,1,0,0,0,1|2,0,0]=4 6975 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100011218342_100020610796 [0,1,0,0,0,1|2,0,0]=4 6976 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100020610796_100011218342 [0,1,0,0,0,1|2,0,0]=4 6977 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)Br 34a_100000695699_100000755118 [0,2,0,0,0,0|2,0,0]=4 6978 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)C 34a_100000695699_100011261388 [0,2,0,0,0,0|2,0,0]=4 6979 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)F 34a_100000695699_100000743420 [0,2,0,0,0,0|2,0,0]=4 6980 B14R1.10 C=CC(C)SC(C)c1ccc(cc1)Br 62a_100011215867_100000755118 [0,2,0,0,0,0|2,0,0]=4 6981 B14R1.10 C=CC(C)SC(C)c1ccc(cc1)C 62a_100011215867_100011261388 [0,2,0,0,0,0|2,0,0]=4 6982 B14R1.10 C=CC(C)SC(C)c1ccc(cc1)Cl 62a_100011215867_100000684792 [0,2,0,0,0,0|2,0,0]=4 6983 B14R1.10 C=CC(C)SC(C)c1ccc(cc1)F 62a_100011215867_100000743420 [0,2,0,0,0,0|2,0,0]=4 6984 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 34a_200102604097_100000211855 [0,2,0,0,0,0|2,0,0]=4 6985 B14R1.29 C=CCN(C)CC(C)c1ccccc1 2230a_100000225617_100000756946 [0,2,0,0,0,0|2,0,0]=4 6986 B14R1.29 C=CCN(C)CC(C)c1ccccc1 269982a_100000225617_100000756946 [0,2,0,0,0,0|2,0,0]=4 6987 B14R1.29 C=CCN(C)CC(C)c1ccccc1 270004a_100000225617_100000212034 [0,2,0,0,0,0|2,0,0]=4 6988 B14R1.29 C=CCN(C)CC(O)c1ccccc1 2230a_100000225617_100000185958 [0,2,0,0,0,0|2,0,0]=4 6989 B14R1.29 C=CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210623 [0,2,0,0,0,0|2,0,0]=4 6990 B14R1.29 C=CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210623 [0,2,0,0,0,0|2,0,0]=4 6991 B14R1.29 C=CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225617_100011933945 [0,2,0,0,0,0|2,0,0]=4 6992 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 34a_100000731007_100000211855 [0,2,0,0,0,0|2,0,0]=4 6993 B14R1.29 C=CC[C@@H](C)OC(C)c1ccccc1 7a_100000731007_100000230085 [0,2,0,0,0,0|2,0,0]=4 6994 B14R1.29 CN(CC=O)CC(O)c1ccccc1 2230a_100000227976_200015260668 [0,2,0,0,0,0|1,0,0]=3 6995 B14R1.29 CN(CC=O)CC(O)c1ccccc1 269982a_100000227976_200015260668 [0,2,0,0,0,0|1,0,0]=3 6996 B14R1.58 C=CC(CC)OC(C)c1ccccc1 34a_100000766422_100000211855 [0,2,0,0,0,0|2,0,0]=4 6997 B14R1.58 C=CC(CC)OC(C)c1ccccc1 7a_100000766422_100000230085 [0,2,0,0,0,0|2,0,0]=4 6998 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 2230a_100016989147_100000230085 [0,2,0,0,0,0|2,0,0]=4 6999 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 269862a_100016989147_100000185851 [0,2,0,0,0,0|2,0,0]=4 7000 B14R1.58 C=C[C@@H](CO)NC(C)c1ccccc1 34a_100016989147_100000211855 [0,2,0,0,0,0|2,0,0]=4 7001 B14R1.58 CC(SC(C=O)C=O)c1ccccc1 62a_100000230085_100000736813 [0,2,0,0,0,0|1,0,1]=4 7002 B14R1.58 CC(SC(C=O)C=O)c1ccccc1 62a_100000736813_100000230085 [0,2,0,0,0,0|1,0,1]=4 7003 B14R1.58 C[C@@H](NC(C=O)C=O)c1ccccc1 2230a_100000751104_100000736813 [0,2,0,0,0,0|1,0,1]=4 7004 B14R1.58 C[C@@H](OC(C=O)C=O)c1ccccc1 34a_100000761318_100000736813 [0,2,0,0,0,0|1,0,1]=4 7005 B14R1.85 C=CC(C)C(=O)C(C)c1ccccc1 1458a_100011216780_100000230085 [0,2,0,0,0,0|1,0,1]=4 7006 B14R1.85 C=CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100011215867 [0,2,0,0,0,0|2,0,0]=4 7007 B14R1.290 C=CC(C)(C)OC(C)c1ccccc1 34a_100011215311_100000211855 [0,2,0,0,0,0|2,0,0]=4 7008 B14R1.290 C=CC(C)(C)OC(C)c1ccccc1 7a_100011215311_100000230085 [0,2,0,0,0,0|2,0,0]=4 7009 B14R1.415 C=C(C)C(C)N[C@H](C)c1ccccc1 269862a_100000751104_100011216138 [0,2,0,0,0,0|2,0,0]=4 7010 B14R1.415 CC(=O)C(C)NC(C)c1ccccn1 2230a_100000181244_100009814033 [0,2,0,0,0,0|2,0,0]=4 7011 B14R1.415 CC(=O)C(C)NC(C)c1cccnc1 2230a_100000195435_100009814033 [0,2,0,0,0,0|2,0,0]=4 7012 B14R1.415 CC(=O)C(C)NC(C)c1ccncc1 2230a_100000181269_100009814033 [0,2,0,0,0,0|2,0,0]=4 7013 B14R1.415 CC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100009814033 [0,2,0,0,0,0|1,0,0]=3 7014 B14R1.415 CC(=O)C(C)OC(C)c1ccccc1 34a_100000212229_100000211855 [0,2,0,0,0,0|1,0,0]=3 7015 B14R1.415 CC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100000179758 [0,2,0,0,0,0|1,0,0]=3 7016 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,2,0,0,0,0|1,0,0]=3 7017 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,2,0,0,0,0|1,0,0]=3 7018 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100015343762 [0,2,0,0,0,0|1,0,0]=3 7019 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100103153847 [0,2,0,0,0,0|1,0,0]=3 7020 B14R1.415 CC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_200000210301 [0,2,0,0,0,0|1,0,1]=4 7021 B14R1.415 CC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_200000210301 [0,2,0,0,0,0|1,0,1]=4 7022 B14R1.415 CC(NC(C)c1ccccn1)C(=O)N 2230a_100000181244_100000702099 [0,2,0,0,0,0|2,0,0]=4 7023 B14R1.415 CC(NC(C)c1cccnc1)C(=O)N 2230a_100000195435_100000702099 [0,2,0,0,0,0|2,0,0]=4 7024 B14R1.415 CC(NC(C)c1ccncc1)C(=O)N 2230a_100000181269_100000702099 [0,2,0,0,0,0|2,0,0]=4 7025 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,2,0,0,0,0|1,0,0]=3 7026 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,2,0,0,0,0|1,0,0]=3 7027 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,2,0,0,0,0|1,0,0]=3 7028 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,2,0,0,0,0|1,0,0]=3 7029 B14R1.415 CC(O[C@@H](C)C(=O)[O-])c1ccccc1 7a_217856618621_100000230085 [0,2,0,0,0,0|1,0,0]=3 7030 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,2,0,0,0,0|1,0,0]=3 7031 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,2,0,0,0,0|1,0,0]=3 7032 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,2,0,0,0,0|1,0,0]=3 7033 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,2,0,0,0,0|1,0,0]=3 7034 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,2,0,0,0,0|1,0,0]=3 7035 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,2,0,0,0,0|1,0,0]=3 7036 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,2,0,0,0,0|2,0,0]=4 7037 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,2,0,0,0,0|2,0,0]=4 7038 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100000230085_100020610796 [0,2,0,0,0,0|2,0,0]=4 7039 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000230085 [0,2,0,0,0,0|2,0,0]=4 7040 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 11a_100000119354_100000185807 [0,2,0,0,0,0|1,0,1]=4 7041 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 240690a_100000119354_100000185807 [0,2,0,0,0,0|1,0,1]=4 7042 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 527a_100000119354_100000185807 [0,2,0,0,0,0|1,0,1]=4 7043 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100011504567_200025704644 [0,2,0,0,0,0|1,0,1]=4 7044 B14R1.415 C[C@@H](NC(F)C(=O)N)c1ccccc1 2230a_100000751104_100009813875 [0,2,0,0,0,0|2,0,0]=4 7045 B14R1.415 C[C@@H](OC(=O)c1ccccc1)C(=O)[13CH3] 1458a_200035542198_200025704644 [0,2,0,0,0,0|1,0,1]=4 7046 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 34a_100000761318_100009813875 [0,2,0,0,0,0|2,0,0]=4 7047 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 7a_100000761318_100009813875 [0,2,0,0,0,0|2,0,0]=4 7048 B14R1.415 C[C@@H](OC(F)C(=O)[O-])c1ccccc1 34a_100000761318_100020610796 [0,2,0,0,0,0|2,0,0]=4 7049 B14R1.587 C=CC(C)OC(C)c1ccccc1F 34a_100000695699_200000741388 [0,2,0,0,0,0|2,0,0]=4 7050 B14R1.587 C=CC(C)SC(C)c1ccccc1Cl 62a_100011215867_100000181259 [0,2,0,0,0,0|2,0,0]=4 7051 B14R1.587 C=CC(C)SC(C)c1ccccc1F 62a_100011215867_200000741388 [0,2,0,0,0,0|2,0,0]=4 7052 B14R1.741 C=CC(C)SC(C)(C)c1ccccc1 62a_100011215867_100000034625 [0,2,0,0,0,0|2,0,0]=4 7053 B14R1.741 C=CC(C)SC(F)(F)c1ccccc1 62a_100011215867_100000036403 [0,2,0,0,0,0|2,0,0]=4 7054 B14R1.741 CC(CC(C)(C)c1ccccc1)N[13CH3] 2230a_100000746124_200025704644 [0,2,0,0,0,0|2,0,0]=4 7055 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 2230a_100000746124_200000210301 [0,2,0,0,0,0|2,0,0]=4 7056 B14R1.741 CNC(C)CC(C)(C)c1ccccc1 270004a_106832991635_100000198046 [0,2,0,0,0,0|2,0,0]=4 7057 B14R1.3297 C=CC(C)SC(C=C)c1ccccc1 62a_100011215867_200000085779 [0,2,0,0,0,0|2,0,0]=4 7058 B14R1.5 C#Cc1ccc(cc1)COC(C)C=C 34a_100000695699_100000140223 [0,2,0,0,0,0|2,0,0]=4 7059 B14R1.5 C#Cc1ccc(cc1)CSC(C)C=C 62a_100011215867_100000140223 [0,2,0,0,0,0|2,0,0]=4 7060 B14R1.5 C=CC(C)OCc1ccc(cc1)C#N 34a_100000695699_100000184898 [0,2,0,0,0,0|2,0,0]=4 7061 B14R1.5 C=CC(C)OCc1ccc(cc1)C=O 34a_100000695699_100009816848 [0,2,0,0,0,0|2,0,0]=4 7062 B14R1.5 C=CC(C)OCc1ccc(cc1)CC 34a_100000695699_100000747183 [0,2,0,0,0,0|2,0,0]=4 7063 B14R1.5 C=CC(C)OCc1ccc(cc1)CO 34a_100000695699_100000067286 [0,2,0,0,0,0|2,0,0]=4 7064 B14R1.5 C=CC(C)OCc1ccc(cc1)OC 34a_100000695699_100000742318 [0,2,0,0,0,0|2,0,0]=4 7065 B14R1.5 C=CC(C)OCc1ccc(cc1)SC 34a_100000695699_100000181263 [0,2,0,0,0,0|2,0,0]=4 7066 B14R1.5 C=CC(C)SCc1ccc(cc1)C#N 62a_100011215867_100000184898 [0,2,0,0,0,0|2,0,0]=4 7067 B14R1.5 C=CC(C)SCc1ccc(cc1)C=O 62a_100011215867_100009816848 [0,2,0,0,0,0|2,0,0]=4 7068 B14R1.5 C=CC(C)SCc1ccc(cc1)CC 62a_100011215867_100000747183 [0,2,0,0,0,0|2,0,0]=4 7069 B14R1.5 C=CC(C)SCc1ccc(cc1)CO 62a_100011215867_100000067286 [0,2,0,0,0,0|2,0,0]=4 7070 B14R1.5 C=CC(C)SCc1ccc(cc1)OC 62a_100011215867_100000742318 [0,2,0,0,0,0|2,0,0]=4 7071 B14R1.5 C=CC(C)SCc1ccc(cc1)SC 62a_100011215867_100000181263 [0,2,0,0,0,0|2,0,0]=4 7072 B14R1.5 C=Cc1ccc(cc1)COC(C)C=C 34a_100000695699_100000034074 [0,2,0,0,0,0|2,0,0]=4 7073 B14R1.5 C=Cc1ccc(cc1)CSC(C)C=C 62a_100011215867_100000034074 [0,2,0,0,0,0|2,0,0]=4 7074 B14R1.5 CNC(C)CCc1ccc(cc1)OC 2230a_100000746351_200000210301 [0,2,0,0,0,0|2,0,0]=4 7075 B14R1.5 CNC(C)CCc1ccc(cc1)OC 270004a_106832991635_100000170882 [0,2,0,0,0,0|2,0,0]=4 7076 B14R1.5 CNC(C)CCc1ccc(cc1)OC 34a_100000746351_200000210301 [0,2,0,0,0,0|2,0,0]=4 7077 B14R1.5 COc1ccc(cc1)CCC(C)N[13CH3] 2230a_100000746351_200025704644 [0,2,0,0,0,0|2,0,0]=4 7078 B14R1.5 COc1ccc(cc1)CCC(C)N[13CH3] 34a_100000746351_200025704644 [0,2,0,0,0,0|2,0,0]=4 7079 B14R1.5 COc1ccc(cc1)CCC(C)OC 34a_200000246499_200000210301 [0,2,0,0,0,0|2,0,0]=4 7080 B14R1.5 COc1ccc(cc1)CCC(C)OC 7a_200000246499_200000210301 [0,2,0,0,0,0|2,0,0]=4 7081 B14R1.5 COc1ccc(cc1)CCC(C)O[13CH3] 34a_200000246499_200025704644 [0,2,0,0,0,0|2,0,0]=4 7082 B14R1.5 COc1ccc(cc1)CCC(C)O[13CH3] 7a_200000246499_200025704644 [0,2,0,0,0,0|2,0,0]=4 7083 B14R1.134 C=CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100011216780_100000189115 [0,2,0,0,0,0|1,0,1]=4 7084 B14R1.134 C=CC(C)C(=O)Cc1ccc(cc1)C 1458a_100011216780_100000210814 [0,2,0,0,0,0|1,0,1]=4 7085 B14R1.134 C=CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100011216780_100000694040 [0,2,0,0,0,0|1,0,1]=4 7086 B14R1.134 C=CC(C)C(=O)Cc1ccc(cc1)F 1458a_100011216780_100000198546 [0,2,0,0,0,0|1,0,1]=4 7087 B14R1.134 C=CC(C)C(=O)Cc1ccc(cc1)I 1458a_100011216780_100000189116 [0,2,0,0,0,0|1,0,1]=4 7088 B14R1.134 C=CC(C)N(C)Cc1ccc(cc1)Br 269982a_100000180866_100011215867 [0,2,0,0,0,0|2,0,0]=4 7089 B14R1.134 C=CC(C)N(C)Cc1ccc(cc1)C 269982a_100000744650_100011215867 [0,2,0,0,0,0|2,0,0]=4 7090 B14R1.134 C=CC(C)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011215867 [0,2,0,0,0,0|2,0,0]=4 7091 B14R1.134 C=CC(C)N(C)Cc1ccc(cc1)F 269982a_100000184576_100011215867 [0,2,0,0,0,0|2,0,0]=4 7092 B14R1.134 C=CC(C)N(C)Cc1ccc(cc1)O 269982a_100000207500_100011215867 [0,2,0,0,0,0|2,0,0]=4 7093 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)Br 34a_100011215311_100000189115 [0,2,0,0,0,0|2,0,0]=4 7094 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)Br 7a_100011215311_100011217064 [0,2,0,0,0,0|2,0,0]=4 7095 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)C 34a_100011215311_100000210814 [0,2,0,0,0,0|2,0,0]=4 7096 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)C 7a_100011215311_100000210814 [0,2,0,0,0,0|2,0,0]=4 7097 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)Cl 34a_100011215311_100000694040 [0,2,0,0,0,0|2,0,0]=4 7098 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)Cl 7a_100011215311_100000187161 [0,2,0,0,0,0|2,0,0]=4 7099 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)F 34a_100011215311_100000198546 [0,2,0,0,0,0|2,0,0]=4 7100 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)F 7a_100011215311_100000198546 [0,2,0,0,0,0|2,0,0]=4 7101 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)I 34a_100011215311_100000189116 [0,2,0,0,0,0|2,0,0]=4 7102 B14R1.293 C=CC(C)(C)OCc1ccc(cc1)I 7a_100011215311_100000189116 [0,2,0,0,0,0|2,0,0]=4 7103 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)Br 34a_200102604097_100000189115 [0,2,0,0,0,0|2,0,0]=4 7104 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)C 34a_200102604097_100000210814 [0,2,0,0,0,0|2,0,0]=4 7105 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)Cl 34a_200102604097_100000694040 [0,2,0,0,0,0|2,0,0]=4 7106 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)F 34a_200102604097_100000198546 [0,2,0,0,0,0|2,0,0]=4 7107 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)I 34a_200102604097_100000189116 [0,2,0,0,0,0|2,0,0]=4 7108 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 2230a_100000225617_100011740612 [0,2,0,0,0,0|2,0,0]=4 7109 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210623 [0,2,0,0,0,0|2,0,0]=4 7110 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 269982a_100000225617_100011740612 [0,2,0,0,0,0|2,0,0]=4 7111 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210623 [0,2,0,0,0,0|2,0,0]=4 7112 B14R1.502 C=CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100015514636 [0,2,0,0,0,0|2,0,0]=4 7113 B14R1.502 C=CCN(C)CCc1ccc(cc1)C 2230a_100000225617_100011713686 [0,2,0,0,0,0|2,0,0]=4 7114 B14R1.502 C=CCN(C)CCc1ccc(cc1)C 269982a_100000225617_100011713686 [0,2,0,0,0,0|2,0,0]=4 7115 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 2230a_100000225617_100011713675 [0,2,0,0,0,0|2,0,0]=4 7116 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210623 [0,2,0,0,0,0|2,0,0]=4 7117 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 269982a_100000225617_100011713675 [0,2,0,0,0,0|2,0,0]=4 7118 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210623 [0,2,0,0,0,0|2,0,0]=4 7119 B14R1.502 C=CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100015514636 [0,2,0,0,0,0|2,0,0]=4 7120 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 2230a_100000225617_100011217392 [0,2,0,0,0,0|2,0,0]=4 7121 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210623 [0,2,0,0,0,0|2,0,0]=4 7122 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 269982a_100000225617_100011217392 [0,2,0,0,0,0|2,0,0]=4 7123 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210623 [0,2,0,0,0,0|2,0,0]=4 7124 B14R1.502 C=CCN(C)CCc1ccc(cc1)F 34a_100102946585_100015514636 [0,2,0,0,0,0|2,0,0]=4 7125 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 2230a_100000225617_100009816426 [0,2,0,0,0,0|2,0,0]=4 7126 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210623 [0,2,0,0,0,0|2,0,0]=4 7127 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 269982a_100000225617_100009816426 [0,2,0,0,0,0|2,0,0]=4 7128 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210623 [0,2,0,0,0,0|2,0,0]=4 7129 B14R1.502 C=CCN(C)CCc1ccc(cc1)O 34a_100016989440_100015514636 [0,2,0,0,0,0|2,0,0]=4 7130 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Br 34a_100000731007_100000189115 [0,2,0,0,0,0|2,0,0]=4 7131 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Br 7a_100000731007_100011217064 [0,2,0,0,0,0|2,0,0]=4 7132 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)C 34a_100000731007_100000210814 [0,2,0,0,0,0|2,0,0]=4 7133 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)C 7a_100000731007_100000210814 [0,2,0,0,0,0|2,0,0]=4 7134 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Cl 34a_100000731007_100000694040 [0,2,0,0,0,0|2,0,0]=4 7135 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)Cl 7a_100000731007_100000187161 [0,2,0,0,0,0|2,0,0]=4 7136 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)F 34a_100000731007_100000198546 [0,2,0,0,0,0|2,0,0]=4 7137 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)F 7a_100000731007_100000198546 [0,2,0,0,0,0|2,0,0]=4 7138 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)I 34a_100000731007_100000189116 [0,2,0,0,0,0|2,0,0]=4 7139 B14R1.502 C=CC[C@@H](C)OCc1ccc(cc1)I 7a_100000731007_100000189116 [0,2,0,0,0,0|2,0,0]=4 7140 B14R1.502 CCNC(C)CCc1ccc(cc1)Cl 270004a_100015525214_100011279170 [0,2,0,0,0,0|1,0,1]=4 7141 B14R1.502 CCNC(C)CCc1ccc(cc1)F 270004a_100015525214_100000743244 [0,2,0,0,0,0|1,0,1]=4 7142 B14R1.502 CCNC(C)CCc1ccc(cc1)I 270004a_100015525214_100000723691 [0,2,0,0,0,0|1,0,1]=4 7143 B14R1.502 CCNC(C)CCc1ccc(cc1)O 270004a_100015525214_100000198047 [0,2,0,0,0,0|1,0,1]=4 7144 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 2230a_100000752880_200015260668 [0,2,0,0,0,0|1,0,0]=3 7145 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 269982a_100000752880_200015260668 [0,2,0,0,0,0|1,0,0]=3 7146 B14R1.502 CN(CC=O)CCc1ccc(cc1)Br 34a_100000752880_200009817547 [0,2,0,0,0,0|1,0,0]=3 7147 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 2230a_100000698262_200015260668 [0,2,0,0,0,0|1,0,0]=3 7148 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 269982a_100000698262_200015260668 [0,2,0,0,0,0|1,0,0]=3 7149 B14R1.502 CN(CC=O)CCc1ccc(cc1)Cl 34a_100000698262_200009817547 [0,2,0,0,0,0|1,0,0]=3 7150 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 2230a_100102946585_200015260668 [0,2,0,0,0,0|1,0,0]=3 7151 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 269982a_100102946585_200015260668 [0,2,0,0,0,0|1,0,0]=3 7152 B14R1.502 CN(CC=O)CCc1ccc(cc1)F 34a_100102946585_200009817547 [0,2,0,0,0,0|1,0,0]=3 7153 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 2230a_100016989440_200015260668 [0,2,0,0,0,0|1,0,0]=3 7154 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 269982a_100016989440_200015260668 [0,2,0,0,0,0|1,0,0]=3 7155 B14R1.502 CN(CC=O)CCc1ccc(cc1)O 34a_100016989440_200009817547 [0,2,0,0,0,0|1,0,0]=3 7156 B14R1.529 C=CC(CC)OCc1ccc(cc1)Br 34a_100000766422_100000189115 [0,2,0,0,0,0|2,0,0]=4 7157 B14R1.529 C=CC(CC)OCc1ccc(cc1)Br 7a_100000766422_100011217064 [0,2,0,0,0,0|2,0,0]=4 7158 B14R1.529 C=CC(CC)OCc1ccc(cc1)C 34a_100000766422_100000210814 [0,2,0,0,0,0|2,0,0]=4 7159 B14R1.529 C=CC(CC)OCc1ccc(cc1)C 7a_100000766422_100000210814 [0,2,0,0,0,0|2,0,0]=4 7160 B14R1.529 C=CC(CC)OCc1ccc(cc1)Cl 34a_100000766422_100000694040 [0,2,0,0,0,0|2,0,0]=4 7161 B14R1.529 C=CC(CC)OCc1ccc(cc1)Cl 7a_100000766422_100000187161 [0,2,0,0,0,0|2,0,0]=4 7162 B14R1.529 C=CC(CC)OCc1ccc(cc1)F 34a_100000766422_100000198546 [0,2,0,0,0,0|2,0,0]=4 7163 B14R1.529 C=CC(CC)OCc1ccc(cc1)F 7a_100000766422_100000198546 [0,2,0,0,0,0|2,0,0]=4 7164 B14R1.529 C=CC(CC)OCc1ccc(cc1)I 34a_100000766422_100000189116 [0,2,0,0,0,0|2,0,0]=4 7165 B14R1.529 C=CC(CC)OCc1ccc(cc1)I 7a_100000766422_100000189116 [0,2,0,0,0,0|2,0,0]=4 7166 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Br 2230a_100016989147_100011217064 [0,2,0,0,0,0|2,0,0]=4 7167 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Br 270004a_100016989147_100000186029 [0,2,0,0,0,0|2,0,0]=4 7168 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Br 34a_100016989147_100000189115 [0,2,0,0,0,0|2,0,0]=4 7169 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)C 2230a_100016989147_100000210814 [0,2,0,0,0,0|2,0,0]=4 7170 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)C 270004a_100016989147_100000211033 [0,2,0,0,0,0|2,0,0]=4 7171 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)C 34a_100016989147_100000210814 [0,2,0,0,0,0|2,0,0]=4 7172 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 2230a_100016989147_100000694040 [0,2,0,0,0,0|2,0,0]=4 7173 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 270004a_100016989147_100000189385 [0,2,0,0,0,0|2,0,0]=4 7174 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 34a_100016989147_100000694040 [0,2,0,0,0,0|2,0,0]=4 7175 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)F 2230a_100016989147_100000198546 [0,2,0,0,0,0|2,0,0]=4 7176 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)F 270004a_100016989147_100000210084 [0,2,0,0,0,0|2,0,0]=4 7177 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)F 34a_100016989147_100000198546 [0,2,0,0,0,0|2,0,0]=4 7178 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)I 2230a_100016989147_100000189116 [0,2,0,0,0,0|2,0,0]=4 7179 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)I 34a_100016989147_100000189116 [0,2,0,0,0,0|2,0,0]=4 7180 B14R1.529 Cc1ccc(cc1)CNC(C=O)C=O 2230a_100000174908_100000736813 [0,2,0,0,0,0|1,0,1]=4 7181 B14R1.529 Cc1ccc(cc1)CNC(C=O)C=O 34a_100000174908_100000736813 [0,2,0,0,0,0|1,0,1]=4 7182 B14R1.529 Cc1ccc(cc1)COC(C=O)C=O 34a_100011215236_100000736813 [0,2,0,0,0,0|1,0,1]=4 7183 B14R1.529 Cc1ccc(cc1)CSC(C=O)C=O 62a_100000210814_100000736813 [0,2,0,0,0,0|1,0,1]=4 7184 B14R1.529 Cc1ccc(cc1)CSC(C=O)C=O 62a_100000736813_100000210814 [0,2,0,0,0,0|1,0,1]=4 7185 B14R1.529 Nc1ccc(cc1)COC(C=O)C=O 34a_100011215238_100000736813 [0,2,0,0,0,0|1,0,1]=4 7186 B14R1.529 O=CC(C=O)NCc1ccc(cc1)Br 2230a_100000174875_100000736813 [0,2,0,0,0,0|1,0,1]=4 7187 B14R1.529 O=CC(C=O)NCc1ccc(cc1)Br 34a_100000174875_100000736813 [0,2,0,0,0,0|1,0,1]=4 7188 B14R1.529 O=CC(C=O)NCc1ccc(cc1)Cl 2230a_100000174871_100000736813 [0,2,0,0,0,0|1,0,1]=4 7189 B14R1.529 O=CC(C=O)NCc1ccc(cc1)Cl 34a_100000174871_100000736813 [0,2,0,0,0,0|1,0,1]=4 7190 B14R1.529 O=CC(C=O)NCc1ccc(cc1)F 2230a_100000174882_100000736813 [0,2,0,0,0,0|1,0,1]=4 7191 B14R1.529 O=CC(C=O)NCc1ccc(cc1)F 34a_100000174882_100000736813 [0,2,0,0,0,0|1,0,1]=4 7192 B14R1.529 O=CC(C=O)NCc1ccc(cc1)I 2230a_100016989417_100000736813 [0,2,0,0,0,0|1,0,1]=4 7193 B14R1.529 O=CC(C=O)NCc1ccc(cc1)I 34a_100016989417_100000736813 [0,2,0,0,0,0|1,0,1]=4 7194 B14R1.529 O=CC(C=O)NCc1ccc(cc1)O 34a_100000185549_100000736813 [0,2,0,0,0,0|1,0,1]=4 7195 B14R1.529 O=CC(C=O)OCc1ccc(cc1)Br 34a_100000695286_100000736813 [0,2,0,0,0,0|1,0,1]=4 7196 B14R1.529 O=CC(C=O)OCc1ccc(cc1)Cl 34a_100000211118_100000736813 [0,2,0,0,0,0|1,0,1]=4 7197 B14R1.529 O=CC(C=O)OCc1ccc(cc1)F 34a_100000210977_100000736813 [0,2,0,0,0,0|1,0,1]=4 7198 B14R1.529 O=CC(C=O)OCc1ccc(cc1)I 34a_100000690907_100000736813 [0,2,0,0,0,0|1,0,1]=4 7199 B14R1.529 O=CC(C=O)SCc1ccc(cc1)Br 62a_100000189115_100000736813 [0,2,0,0,0,0|1,0,1]=4 7200 B14R1.529 O=CC(C=O)SCc1ccc(cc1)Br 62a_100000736813_100000189115 [0,2,0,0,0,0|1,0,1]=4 7201 B14R1.529 O=CC(C=O)SCc1ccc(cc1)Cl 62a_100000187161_100000736813 [0,2,0,0,0,0|1,0,1]=4 7202 B14R1.529 O=CC(C=O)SCc1ccc(cc1)Cl 62a_100000736813_100000187161 [0,2,0,0,0,0|1,0,1]=4 7203 B14R1.529 O=CC(C=O)SCc1ccc(cc1)F 62a_100000198546_100000736813 [0,2,0,0,0,0|1,0,1]=4 7204 B14R1.529 O=CC(C=O)SCc1ccc(cc1)F 62a_100000736813_100000187164 [0,2,0,0,0,0|1,0,1]=4 7205 B14R1.529 O=CC(C=O)SCc1ccc(cc1)I 62a_100000189116_100000736813 [0,2,0,0,0,0|1,0,1]=4 7206 B14R1.529 O=CC(C=O)SCc1ccc(cc1)I 62a_100000736813_100000189116 [0,2,0,0,0,0|1,0,1]=4 7207 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)Br 269862a_100000174875_100011216138 [0,2,0,0,0,0|2,0,0]=4 7208 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)C 269862a_100000174908_100011216138 [0,2,0,0,0,0|2,0,0]=4 7209 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)Cl 269862a_100000174871_100011216138 [0,2,0,0,0,0|2,0,0]=4 7210 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)F 269862a_100000174882_100011216138 [0,2,0,0,0,0|2,0,0]=4 7211 B14R1.679 C=C(C)C(C)NCc1ccc(cc1)I 269862a_100016989417_100011216138 [0,2,0,0,0,0|2,0,0]=4 7212 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Br 2230a_100000174875_100009814033 [0,2,0,0,0,0|1,0,0]=3 7213 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)C 2230a_100000174908_100009814033 [0,2,0,0,0,0|1,0,0]=3 7214 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Cl 2230a_100000174871_100009814033 [0,2,0,0,0,0|1,0,0]=3 7215 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)F 2230a_100000174882_100009814033 [0,2,0,0,0,0|1,0,0]=3 7216 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100009814033 [0,2,0,0,0,0|1,0,0]=3 7217 B14R1.679 CC(=O)C(C)NCc1ccc(nc1)Br 2230a_100009817727_100009814033 [0,2,0,0,0,0|2,0,0]=4 7218 B14R1.679 CC(=O)C(C)NCc1ccc(nc1)Cl 2230a_100000735879_100009814033 [0,2,0,0,0,0|2,0,0]=4 7219 B14R1.679 CC(=O)C(C)NCc1ccc(nc1)F 2230a_100000101913_100009814033 [0,2,0,0,0,0|2,0,0]=4 7220 B14R1.679 CC(=O)C(C)NCc1ccc(nc1)O 2230a_100000757128_100009814033 [0,2,0,0,0,0|2,0,0]=4 7221 B14R1.679 CC(=O)C(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000179758 [0,2,0,0,0,0|2,0,0]=4 7222 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Br 34a_100000212229_100000189115 [0,2,0,0,0,0|1,0,0]=3 7223 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 34a_100000212229_100000210814 [0,2,0,0,0,0|1,0,0]=3 7224 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 7a_100011215236_100000179758 [0,2,0,0,0,0|1,0,0]=3 7225 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 34a_100000212229_100000694040 [0,2,0,0,0,0|1,0,0]=3 7226 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 7a_100000211118_100000179758 [0,2,0,0,0,0|1,0,0]=3 7227 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 34a_100000212229_100000198546 [0,2,0,0,0,0|1,0,0]=3 7228 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 7a_100000210977_100000179758 [0,2,0,0,0,0|1,0,0]=3 7229 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 34a_100000212229_100000189116 [0,2,0,0,0,0|1,0,0]=3 7230 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000179758 [0,2,0,0,0,0|1,0,0]=3 7231 B14R1.679 CC(=O)C(C)OCc1ccc(cn1)Br 34a_100000212229_100000702658 [0,2,0,0,0,0|2,0,0]=4 7232 B14R1.679 CC(=O)C(C)OCc1ccc(cn1)C 34a_100000212229_100000691093 [0,2,0,0,0,0|2,0,0]=4 7233 B14R1.679 CC(=O)C(C)OCc1ccc(cn1)Cl 34a_100000212229_100012066911 [0,2,0,0,0,0|2,0,0]=4 7234 B14R1.679 CC(=O)C(C)OCc1ccc(cn1)F 34a_100000212229_100000703193 [0,2,0,0,0,0|2,0,0]=4 7235 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)Br 34a_100000212229_100009831999 [0,2,0,0,0,0|2,0,0]=4 7236 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)Br 7a_100009816760_100000179758 [0,2,0,0,0,0|2,0,0]=4 7237 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)C 34a_100000212229_100016987292 [0,2,0,0,0,0|2,0,0]=4 7238 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)Cl 34a_100000212229_100000735431 [0,2,0,0,0,0|2,0,0]=4 7239 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)Cl 7a_100000755211_100000179758 [0,2,0,0,0,0|2,0,0]=4 7240 B14R1.679 CC(=O)C(C)OCc1ccc(nc1)F 34a_100000212229_100000099788 [0,2,0,0,0,0|2,0,0]=4 7241 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100009814033 [0,2,0,0,0,0|1,0,0]=3 7242 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100009814033_100000189115 [0,2,0,0,0,0|1,0,0]=3 7243 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100009814033 [0,2,0,0,0,0|1,0,0]=3 7244 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100009814033_100000210814 [0,2,0,0,0,0|1,0,0]=3 7245 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_200000210301 [0,2,0,0,0,0|1,0,0]=3 7246 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100009814033 [0,2,0,0,0,0|1,0,0]=3 7247 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100009814033_100000187161 [0,2,0,0,0,0|1,0,0]=3 7248 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100009814033 [0,2,0,0,0,0|1,0,0]=3 7249 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100009814033_100000187164 [0,2,0,0,0,0|1,0,0]=3 7250 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100009814033 [0,2,0,0,0,0|1,0,0]=3 7251 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100009814033_100000189116 [0,2,0,0,0,0|1,0,0]=3 7252 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)Br 62a_100000702658_100009814033 [0,2,0,0,0,0|2,0,0]=4 7253 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)Br 62a_100009814033_100000702658 [0,2,0,0,0,0|2,0,0]=4 7254 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)C 62a_100000691093_100009814033 [0,2,0,0,0,0|2,0,0]=4 7255 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)C 62a_100009814033_100000691093 [0,2,0,0,0,0|2,0,0]=4 7256 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)Cl 62a_100009814033_100000697101 [0,2,0,0,0,0|2,0,0]=4 7257 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)Cl 62a_100012066911_100009814033 [0,2,0,0,0,0|2,0,0]=4 7258 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)F 62a_100000703193_100009814033 [0,2,0,0,0,0|2,0,0]=4 7259 B14R1.679 CC(=O)C(C)SCc1ccc(cn1)F 62a_100009814033_100000703193 [0,2,0,0,0,0|2,0,0]=4 7260 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)Br 62a_100009814033_100009831999 [0,2,0,0,0,0|2,0,0]=4 7261 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)Br 62a_100009831999_100009814033 [0,2,0,0,0,0|2,0,0]=4 7262 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)C 62a_100009814033_100016987292 [0,2,0,0,0,0|2,0,0]=4 7263 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)C 62a_100016987292_100009814033 [0,2,0,0,0,0|2,0,0]=4 7264 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)Cl 62a_100000735431_100009814033 [0,2,0,0,0,0|2,0,0]=4 7265 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)Cl 62a_100009814033_100000735431 [0,2,0,0,0,0|2,0,0]=4 7266 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)F 62a_100009814033_100000099788 [0,2,0,0,0,0|2,0,0]=4 7267 B14R1.679 CC(=O)C(C)SCc1ccc(nc1)F 62a_100009820150_100009814033 [0,2,0,0,0,0|2,0,0]=4 7268 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 11a_100000752880_100015343762 [0,2,0,0,0,0|1,0,0]=3 7269 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 1626a_100000752880_100015343762 [0,2,0,0,0,0|1,0,0]=3 7270 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 240690a_100000752880_100015343762 [0,2,0,0,0,0|1,0,0]=3 7271 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Br 527a_100000752880_100103153847 [0,2,0,0,0,0|1,0,0]=3 7272 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 11a_100000698262_100015343762 [0,2,0,0,0,0|1,0,0]=3 7273 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 1626a_100000698262_100015343762 [0,2,0,0,0,0|1,0,0]=3 7274 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 240690a_100000698262_100015343762 [0,2,0,0,0,0|1,0,0]=3 7275 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)Cl 527a_100000698262_100103153847 [0,2,0,0,0,0|1,0,0]=3 7276 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 11a_100102946585_100015343762 [0,2,0,0,0,0|1,0,0]=3 7277 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 1626a_100102946585_100015343762 [0,2,0,0,0,0|1,0,0]=3 7278 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 240690a_100102946585_100015343762 [0,2,0,0,0,0|1,0,0]=3 7279 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)F 527a_100102946585_100103153847 [0,2,0,0,0,0|1,0,0]=3 7280 B14R1.679 CC(=O)N(C)CCc1ccc(cc1)O 240690a_100016989440_100015343762 [0,2,0,0,0,0|1,0,0]=3 7281 B14R1.679 CC(CCc1ccc(cc1)Cl)N(C)C 270004a_100102631434_100011279170 [0,2,0,0,0,0|2,0,0]=4 7282 B14R1.679 CC(CCc1ccc(cc1)F)N(C)C 270004a_100102631434_100000743244 [0,2,0,0,0,0|2,0,0]=4 7283 B14R1.679 CC(CCc1ccc(cc1)I)N(C)C 270004a_100102631434_100000723691 [0,2,0,0,0,0|2,0,0]=4 7284 B14R1.679 CC(CCc1ccc(cc1)O)N(C)C 270004a_100102631434_100000198047 [0,2,0,0,0,0|2,0,0]=4 7285 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 2230a_100000174875_100000702099 [0,2,0,0,0,0|1,0,0]=3 7286 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 34a_100000174875_100000702099 [0,2,0,0,0,0|1,0,0]=3 7287 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 2230a_100000174871_100000702099 [0,2,0,0,0,0|1,0,0]=3 7288 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 34a_100000174871_100000702099 [0,2,0,0,0,0|1,0,0]=3 7289 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 2230a_100000174882_100000702099 [0,2,0,0,0,0|1,0,0]=3 7290 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 34a_100000174882_100000702099 [0,2,0,0,0,0|1,0,0]=3 7291 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000702099 [0,2,0,0,0,0|1,0,0]=3 7292 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000702099 [0,2,0,0,0,0|1,0,0]=3 7293 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [0,2,0,0,0,0|1,0,0]=3 7294 B14R1.679 CC(NCc1ccc(cn1)Br)C(=O)N 34a_100015188789_100000702099 [0,2,0,0,0,0|2,0,0]=4 7295 B14R1.679 CC(NCc1ccc(cn1)Cl)C(=O)N 34a_100000697193_100000702099 [0,2,0,0,0,0|2,0,0]=4 7296 B14R1.679 CC(NCc1ccc(cn1)F)C(=O)N 34a_100020620131_100000702099 [0,2,0,0,0,0|2,0,0]=4 7297 B14R1.679 CC(NCc1ccc(nc1)Br)C(=O)N 2230a_100009817727_100000702099 [0,2,0,0,0,0|2,0,0]=4 7298 B14R1.679 CC(NCc1ccc(nc1)Br)C(=O)N 34a_100009817727_100000702099 [0,2,0,0,0,0|2,0,0]=4 7299 B14R1.679 CC(NCc1ccc(nc1)Cl)C(=O)N 2230a_100000735879_100000702099 [0,2,0,0,0,0|2,0,0]=4 7300 B14R1.679 CC(NCc1ccc(nc1)Cl)C(=O)N 34a_100000735879_100000702099 [0,2,0,0,0,0|2,0,0]=4 7301 B14R1.679 CC(NCc1ccc(nc1)F)C(=O)N 2230a_100000101913_100000702099 [0,2,0,0,0,0|2,0,0]=4 7302 B14R1.679 CC(NCc1ccc(nc1)F)C(=O)N 34a_100000101913_100000702099 [0,2,0,0,0,0|2,0,0]=4 7303 B14R1.679 CC(NCc1ccc(nc1)O)C(=O)N 2230a_100000757128_100000702099 [0,2,0,0,0,0|2,0,0]=4 7304 B14R1.679 CC(OCc1cc[n+](cc1)C)C(=O)N 34a_100009831711_100000702099 [0,2,0,0,0,0|2,0,0]=4 7305 B14R1.679 CC(OCc1cc[n+](cc1)[O-])C(=O)N 34a_100000031831_100000702099 [0,2,0,0,0,0|2,0,0]=4 7306 B14R1.679 CC(OCc1cc[n+](cc1)[O-])C(=O)N 7a_100000031831_100000702099 [0,2,0,0,0,0|2,0,0]=4 7307 B14R1.679 CC(OCc1ccc(=O)[nH]c1)C(=O)N 34a_100011999846_100000702099 [0,2,0,0,0,0|2,0,0]=4 7308 B14R1.679 CC(OCc1ccc(cc1)Br)C(=O)N 34a_100000695286_100000702099 [0,2,0,0,0,0|1,0,0]=3 7309 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 34a_100000211118_100000702099 [0,2,0,0,0,0|1,0,0]=3 7310 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 7a_100000211118_100000702099 [0,2,0,0,0,0|1,0,0]=3 7311 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 34a_100000210977_100000702099 [0,2,0,0,0,0|1,0,0]=3 7312 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 7a_100000210977_100000702099 [0,2,0,0,0,0|1,0,0]=3 7313 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000702099 [0,2,0,0,0,0|1,0,0]=3 7314 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000702099 [0,2,0,0,0,0|1,0,0]=3 7315 B14R1.679 CC(OCc1ccc(cc1)N)C(=O)N 34a_100011215238_100000702099 [0,2,0,0,0,0|1,0,0]=3 7316 B14R1.679 CC(OCc1ccc(cn1)Br)C(=O)N 34a_100000754261_100000702099 [0,2,0,0,0,0|2,0,0]=4 7317 B14R1.679 CC(OCc1ccc(cn1)Cl)C(=O)N 34a_100000703999_100000702099 [0,2,0,0,0,0|2,0,0]=4 7318 B14R1.679 CC(OCc1ccc(cn1)F)C(=O)N 34a_100011999454_100000702099 [0,2,0,0,0,0|2,0,0]=4 7319 B14R1.679 CC(OCc1ccc(cn1)N)C(=O)N 34a_100011998161_100000702099 [0,2,0,0,0,0|2,0,0]=4 7320 B14R1.679 CC(OCc1ccc(nc1)Br)C(=O)N 34a_100009816760_100000702099 [0,2,0,0,0,0|2,0,0]=4 7321 B14R1.679 CC(OCc1ccc(nc1)Br)C(=O)N 7a_100009816760_100000702099 [0,2,0,0,0,0|2,0,0]=4 7322 B14R1.679 CC(OCc1ccc(nc1)Cl)C(=O)N 34a_100000755211_100000702099 [0,2,0,0,0,0|2,0,0]=4 7323 B14R1.679 CC(OCc1ccc(nc1)Cl)C(=O)N 7a_100000755211_100000702099 [0,2,0,0,0,0|2,0,0]=4 7324 B14R1.679 CC(OCc1ccc(nc1)F)C(=O)N 34a_100000079959_100000702099 [0,2,0,0,0,0|2,0,0]=4 7325 B14R1.679 CC(OCc1ccc(nc1)N)C(=O)N 34a_100000704267_100000702099 [0,2,0,0,0,0|2,0,0]=4 7326 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000189115_100000702099 [0,2,0,0,0,0|1,0,0]=3 7327 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000189115 [0,2,0,0,0,0|1,0,0]=3 7328 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_100000702099 [0,2,0,0,0,0|1,0,0]=3 7329 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000187161 [0,2,0,0,0,0|1,0,0]=3 7330 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000149568_200025704644 [0,2,0,0,0,0|1,0,0]=3 7331 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000198546_100000702099 [0,2,0,0,0,0|1,0,0]=3 7332 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000702099_100000187164 [0,2,0,0,0,0|1,0,0]=3 7333 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702099 [0,2,0,0,0,0|1,0,0]=3 7334 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000702099_100000189116 [0,2,0,0,0,0|1,0,0]=3 7335 B14R1.679 CC(SCc1ccc(cn1)Br)C(=O)N 62a_100000702099_100000702658 [0,2,0,0,0,0|2,0,0]=4 7336 B14R1.679 CC(SCc1ccc(cn1)Br)C(=O)N 62a_100000702658_100000702099 [0,2,0,0,0,0|2,0,0]=4 7337 B14R1.679 CC(SCc1ccc(cn1)Cl)C(=O)N 62a_100000702099_100000697101 [0,2,0,0,0,0|2,0,0]=4 7338 B14R1.679 CC(SCc1ccc(cn1)Cl)C(=O)N 62a_100012066911_100000702099 [0,2,0,0,0,0|2,0,0]=4 7339 B14R1.679 CC(SCc1ccc(cn1)F)C(=O)N 62a_100000702099_100000703193 [0,2,0,0,0,0|2,0,0]=4 7340 B14R1.679 CC(SCc1ccc(cn1)F)C(=O)N 62a_100000703193_100000702099 [0,2,0,0,0,0|2,0,0]=4 7341 B14R1.679 CC(SCc1ccc(nc1)Br)C(=O)N 62a_100000702099_100009831999 [0,2,0,0,0,0|2,0,0]=4 7342 B14R1.679 CC(SCc1ccc(nc1)Br)C(=O)N 62a_100009831999_100000702099 [0,2,0,0,0,0|2,0,0]=4 7343 B14R1.679 CC(SCc1ccc(nc1)Cl)C(=O)N 62a_100000702099_100000735431 [0,2,0,0,0,0|2,0,0]=4 7344 B14R1.679 CC(SCc1ccc(nc1)Cl)C(=O)N 62a_100000735431_100000702099 [0,2,0,0,0,0|2,0,0]=4 7345 B14R1.679 CC(SCc1ccc(nc1)F)C(=O)N 62a_100000702099_100000099788 [0,2,0,0,0,0|2,0,0]=4 7346 B14R1.679 CC(SCc1ccc(nc1)F)C(=O)N 62a_100009820150_100000702099 [0,2,0,0,0,0|2,0,0]=4 7347 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000119354_100011217064 [0,2,0,0,0,0|1,0,0]=3 7348 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 270004a_100000119354_100000186029 [0,2,0,0,0,0|1,0,0]=3 7349 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 34a_100000119354_100000189115 [0,2,0,0,0,0|1,0,0]=3 7350 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000119354_100000694040 [0,2,0,0,0,0|1,0,0]=3 7351 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 270004a_100000119354_100000189385 [0,2,0,0,0,0|1,0,0]=3 7352 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 34a_100000119354_100000694040 [0,2,0,0,0,0|1,0,0]=3 7353 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000119354_100000198546 [0,2,0,0,0,0|1,0,0]=3 7354 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 270004a_100000119354_100000210084 [0,2,0,0,0,0|1,0,0]=3 7355 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 34a_100000119354_100000198546 [0,2,0,0,0,0|1,0,0]=3 7356 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000119354_100000189116 [0,2,0,0,0,0|1,0,0]=3 7357 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 34a_100000119354_100000189116 [0,2,0,0,0,0|1,0,0]=3 7358 B14R1.679 C[C@@H](NCc1ccc(cn1)Br)C(=O)N 2230a_100000119354_100000702658 [0,2,0,0,0,0|2,0,0]=4 7359 B14R1.679 C[C@@H](NCc1ccc(cn1)Br)C(=O)N 270004a_100000119354_100000754260 [0,2,0,0,0,0|2,0,0]=4 7360 B14R1.679 C[C@@H](NCc1ccc(cn1)Br)C(=O)N 34a_100000119354_100000702658 [0,2,0,0,0,0|2,0,0]=4 7361 B14R1.679 C[C@@H](NCc1ccc(cn1)Cl)C(=O)N 2230a_100000119354_100012066911 [0,2,0,0,0,0|2,0,0]=4 7362 B14R1.679 C[C@@H](NCc1ccc(cn1)Cl)C(=O)N 270004a_100000119354_100011361569 [0,2,0,0,0,0|2,0,0]=4 7363 B14R1.679 C[C@@H](NCc1ccc(cn1)Cl)C(=O)N 34a_100000119354_100012066911 [0,2,0,0,0,0|2,0,0]=4 7364 B14R1.679 C[C@@H](NCc1ccc(cn1)F)C(=O)N 2230a_100000119354_100000703193 [0,2,0,0,0,0|2,0,0]=4 7365 B14R1.679 C[C@@H](NCc1ccc(cn1)F)C(=O)N 270004a_100000119354_100011934744 [0,2,0,0,0,0|2,0,0]=4 7366 B14R1.679 C[C@@H](NCc1ccc(cn1)F)C(=O)N 34a_100000119354_100000703193 [0,2,0,0,0,0|2,0,0]=4 7367 B14R1.679 C[C@@H](NCc1ccc(nc1)Br)C(=O)N 2230a_100000119354_100009831999 [0,2,0,0,0,0|2,0,0]=4 7368 B14R1.679 C[C@@H](NCc1ccc(nc1)Br)C(=O)N 34a_100000119354_100009831999 [0,2,0,0,0,0|2,0,0]=4 7369 B14R1.679 C[C@@H](NCc1ccc(nc1)Cl)C(=O)N 2230a_100000119354_100000735431 [0,2,0,0,0,0|2,0,0]=4 7370 B14R1.679 C[C@@H](NCc1ccc(nc1)Cl)C(=O)N 34a_100000119354_100000735431 [0,2,0,0,0,0|2,0,0]=4 7371 B14R1.679 C[C@@H](NCc1ccc(nc1)F)C(=O)N 2230a_100000119354_100009820150 [0,2,0,0,0,0|2,0,0]=4 7372 B14R1.679 C[C@@H](NCc1ccc(nc1)F)C(=O)N 34a_100000119354_100000099788 [0,2,0,0,0,0|2,0,0]=4 7373 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 34a_100000731257_100000189115 [0,2,0,0,0,0|1,0,0]=3 7374 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 7a_100000731257_100011217064 [0,2,0,0,0,0|1,0,0]=3 7375 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 34a_100000731257_100000694040 [0,2,0,0,0,0|1,0,0]=3 7376 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 7a_100000731257_100000187161 [0,2,0,0,0,0|1,0,0]=3 7377 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 34a_100000731257_100000198546 [0,2,0,0,0,0|1,0,0]=3 7378 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 7a_100000731257_100000198546 [0,2,0,0,0,0|1,0,0]=3 7379 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 34a_100000731257_100000189116 [0,2,0,0,0,0|1,0,0]=3 7380 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 7a_100000731257_100000189116 [0,2,0,0,0,0|1,0,0]=3 7381 B14R1.679 C[C@@H](OCc1ccc(cn1)Br)C(=O)N 34a_100000731257_100000702658 [0,2,0,0,0,0|2,0,0]=4 7382 B14R1.679 C[C@@H](OCc1ccc(cn1)Br)C(=O)N 7a_100000731257_100000702658 [0,2,0,0,0,0|2,0,0]=4 7383 B14R1.679 C[C@@H](OCc1ccc(cn1)Cl)C(=O)N 34a_100000731257_100012066911 [0,2,0,0,0,0|2,0,0]=4 7384 B14R1.679 C[C@@H](OCc1ccc(cn1)Cl)C(=O)N 7a_100000731257_100012066911 [0,2,0,0,0,0|2,0,0]=4 7385 B14R1.679 C[C@@H](OCc1ccc(cn1)F)C(=O)N 34a_100000731257_100000703193 [0,2,0,0,0,0|2,0,0]=4 7386 B14R1.679 C[C@@H](OCc1ccc(cn1)F)C(=O)N 7a_100000731257_100000703193 [0,2,0,0,0,0|2,0,0]=4 7387 B14R1.679 C[C@@H](OCc1ccc(nc1)Br)C(=O)N 34a_100000731257_100009831999 [0,2,0,0,0,0|2,0,0]=4 7388 B14R1.679 C[C@@H](OCc1ccc(nc1)Br)C(=O)N 7a_100000731257_100009831999 [0,2,0,0,0,0|2,0,0]=4 7389 B14R1.679 C[C@@H](OCc1ccc(nc1)Cl)C(=O)N 34a_100000731257_100000735431 [0,2,0,0,0,0|2,0,0]=4 7390 B14R1.679 C[C@@H](OCc1ccc(nc1)Cl)C(=O)N 7a_100000731257_100000735431 [0,2,0,0,0,0|2,0,0]=4 7391 B14R1.679 C[C@@H](OCc1ccc(nc1)F)C(=O)N 34a_100000731257_100000099788 [0,2,0,0,0,0|2,0,0]=4 7392 B14R1.679 C[C@@H](OCc1ccc(nc1)F)C(=O)N 7a_100000731257_100009820150 [0,2,0,0,0,0|2,0,0]=4 7393 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,2,0,0,0,0|1,0,0]=3 7394 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,2,0,0,0,0|1,0,0]=3 7395 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,2,0,0,0,0|1,0,0]=3 7396 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,2,0,0,0,0|1,0,0]=3 7397 B14R1.679 C[C@H](NCc1ccc(cn1)Br)C(=O)O 269956a_100000743915_100000702658 [0,2,0,0,0,0|2,0,0]=4 7398 B14R1.679 C[C@H](NCc1ccc(cn1)Cl)C(=O)O 269956a_100000743915_100012066911 [0,2,0,0,0,0|2,0,0]=4 7399 B14R1.679 C[C@H](NCc1ccc(cn1)F)C(=O)O 269956a_100000743915_100000703193 [0,2,0,0,0,0|2,0,0]=4 7400 B14R1.679 C[C@H](NCc1ccc(nc1)Br)C(=O)O 269956a_100000743915_100009831999 [0,2,0,0,0,0|2,0,0]=4 7401 B14R1.679 C[C@H](NCc1ccc(nc1)Cl)C(=O)O 269956a_100000743915_100000735431 [0,2,0,0,0,0|2,0,0]=4 7402 B14R1.679 C[C@H](NCc1ccc(nc1)F)C(=O)O 269956a_100000743915_100009820150 [0,2,0,0,0,0|2,0,0]=4 7403 B14R1.679 C[C@H](OCc1ccc(cc1)Br)C(=O)[O-] 7a_217856618621_100011217064 [0,2,0,0,0,0|1,0,0]=3 7404 B14R1.679 C[C@H](OCc1ccc(cc1)Cl)C(=O)[O-] 7a_217856618621_100000187161 [0,2,0,0,0,0|1,0,0]=3 7405 B14R1.679 C[C@H](OCc1ccc(cc1)F)C(=O)[O-] 7a_217856618621_100000198546 [0,2,0,0,0,0|1,0,0]=3 7406 B14R1.679 C[C@H](OCc1ccc(cc1)I)C(=O)[O-] 7a_217856618621_100000189116 [0,2,0,0,0,0|1,0,0]=3 7407 B14R1.679 C[C@H](OCc1ccc(cn1)Br)C(=O)[O-] 7a_217856618621_100000702658 [0,2,0,0,0,0|2,0,0]=4 7408 B14R1.679 C[C@H](OCc1ccc(cn1)Cl)C(=O)[O-] 7a_217856618621_100012066911 [0,2,0,0,0,0|2,0,0]=4 7409 B14R1.679 C[C@H](OCc1ccc(cn1)F)C(=O)[O-] 7a_217856618621_100000703193 [0,2,0,0,0,0|2,0,0]=4 7410 B14R1.679 C[C@H](OCc1ccc(nc1)Br)C(=O)[O-] 7a_217856618621_100009831999 [0,2,0,0,0,0|2,0,0]=4 7411 B14R1.679 C[C@H](OCc1ccc(nc1)Cl)C(=O)[O-] 7a_217856618621_100000735431 [0,2,0,0,0,0|2,0,0]=4 7412 B14R1.679 C[C@H](OCc1ccc(nc1)F)C(=O)[O-] 7a_217856618621_100009820150 [0,2,0,0,0,0|2,0,0]=4 7413 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 2230a_100000174908_100000702099 [0,2,0,0,0,0|1,0,0]=3 7414 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 34a_100000174908_100000702099 [0,2,0,0,0,0|1,0,0]=3 7415 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 2230a_100000174908_100009813875 [0,2,0,0,0,0|2,0,0]=4 7416 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 34a_100000174908_100009813875 [0,2,0,0,0,0|2,0,0]=4 7417 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)[O-] 34a_100000174908_100020610796 [0,2,0,0,0,0|2,0,0]=4 7418 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,2,0,0,0,0|1,0,0]=3 7419 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 2230a_100000119354_100000210814 [0,2,0,0,0,0|1,0,0]=3 7420 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211033 [0,2,0,0,0,0|1,0,0]=3 7421 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 34a_100000119354_100000210814 [0,2,0,0,0,0|1,0,0]=3 7422 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 34a_100011215236_100000702099 [0,2,0,0,0,0|1,0,0]=3 7423 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 7a_100011215236_100000702099 [0,2,0,0,0,0|1,0,0]=3 7424 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 34a_100011215236_100009813875 [0,2,0,0,0,0|2,0,0]=4 7425 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 7a_100011215236_100009813875 [0,2,0,0,0,0|2,0,0]=4 7426 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215236_100020610796 [0,2,0,0,0,0|2,0,0]=4 7427 B14R1.679 Cc1ccc(cc1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210814 [0,2,0,0,0,0|1,0,0]=3 7428 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 34a_100000731257_100000210814 [0,2,0,0,0,0|1,0,0]=3 7429 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 7a_100000731257_100000210814 [0,2,0,0,0,0|1,0,0]=3 7430 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000210814_100000702099 [0,2,0,0,0,0|1,0,0]=3 7431 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000702099_100000210814 [0,2,0,0,0,0|1,0,0]=3 7432 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100000210814_100009813875 [0,2,0,0,0,0|2,0,0]=4 7433 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100009813875_100000210814 [0,2,0,0,0,0|2,0,0]=4 7434 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100000210814_100020610796 [0,2,0,0,0,0|2,0,0]=4 7435 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100020610796_100000210814 [0,2,0,0,0,0|2,0,0]=4 7436 B14R1.679 Cc1ccc(cn1)CNC(C)C(=O)N 34a_100000740942_100000702099 [0,2,0,0,0,0|2,0,0]=4 7437 B14R1.679 Cc1ccc(cn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016987292 [0,2,0,0,0,0|2,0,0]=4 7438 B14R1.679 Cc1ccc(cn1)CN[C@H](C)C(=O)N 2230a_100000119354_100016987292 [0,2,0,0,0,0|2,0,0]=4 7439 B14R1.679 Cc1ccc(cn1)CN[C@H](C)C(=O)N 270004a_100000119354_100000743784 [0,2,0,0,0,0|2,0,0]=4 7440 B14R1.679 Cc1ccc(cn1)CN[C@H](C)C(=O)N 34a_100000119354_100016987292 [0,2,0,0,0,0|2,0,0]=4 7441 B14R1.679 Cc1ccc(cn1)COC(C)C(=O)N 34a_100011248133_100000702099 [0,2,0,0,0,0|2,0,0]=4 7442 B14R1.679 Cc1ccc(cn1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100016987292 [0,2,0,0,0,0|2,0,0]=4 7443 B14R1.679 Cc1ccc(cn1)CO[C@H](C)C(=O)N 34a_100000731257_100016987292 [0,2,0,0,0,0|2,0,0]=4 7444 B14R1.679 Cc1ccc(cn1)CO[C@H](C)C(=O)N 7a_100000731257_100016987292 [0,2,0,0,0,0|2,0,0]=4 7445 B14R1.679 Cc1ccc(cn1)CSC(C)C(=O)N 62a_100000702099_100016987292 [0,2,0,0,0,0|2,0,0]=4 7446 B14R1.679 Cc1ccc(cn1)CSC(C)C(=O)N 62a_100016987292_100000702099 [0,2,0,0,0,0|2,0,0]=4 7447 B14R1.679 Cc1ccc(nc1)CNC(C)C(=O)N 34a_100015187455_100000702099 [0,2,0,0,0,0|2,0,0]=4 7448 B14R1.679 Cc1ccc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000691093 [0,2,0,0,0,0|2,0,0]=4 7449 B14R1.679 Cc1ccc(nc1)CN[C@H](C)C(=O)N 2230a_100000119354_100000691093 [0,2,0,0,0,0|2,0,0]=4 7450 B14R1.679 Cc1ccc(nc1)CN[C@H](C)C(=O)N 270004a_100000119354_100000050478 [0,2,0,0,0,0|2,0,0]=4 7451 B14R1.679 Cc1ccc(nc1)CN[C@H](C)C(=O)N 34a_100000119354_100000691093 [0,2,0,0,0,0|2,0,0]=4 7452 B14R1.679 Cc1ccc(nc1)COC(C)C(=O)N 34a_100012001401_100000702099 [0,2,0,0,0,0|2,0,0]=4 7453 B14R1.679 Cc1ccc(nc1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000691093 [0,2,0,0,0,0|2,0,0]=4 7454 B14R1.679 Cc1ccc(nc1)CO[C@H](C)C(=O)N 34a_100000731257_100000691093 [0,2,0,0,0,0|2,0,0]=4 7455 B14R1.679 Cc1ccc(nc1)CO[C@H](C)C(=O)N 7a_100000731257_100000691093 [0,2,0,0,0,0|2,0,0]=4 7456 B14R1.679 Cc1ccc(nc1)CSC(C)C(=O)N 62a_100000691093_100000702099 [0,2,0,0,0,0|2,0,0]=4 7457 B14R1.679 Cc1ccc(nc1)CSC(C)C(=O)N 62a_100000702099_100000691093 [0,2,0,0,0,0|2,0,0]=4 7458 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 2230a_100000174875_100009813875 [0,2,0,0,0,0|2,0,0]=4 7459 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 34a_100000174875_100009813875 [0,2,0,0,0,0|2,0,0]=4 7460 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 2230a_100000174871_100009813875 [0,2,0,0,0,0|2,0,0]=4 7461 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 34a_100000174871_100009813875 [0,2,0,0,0,0|2,0,0]=4 7462 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 2230a_100000174882_100009813875 [0,2,0,0,0,0|2,0,0]=4 7463 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 34a_100000174882_100009813875 [0,2,0,0,0,0|2,0,0]=4 7464 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 2230a_100016989417_100009813875 [0,2,0,0,0,0|2,0,0]=4 7465 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 34a_100016989417_100009813875 [0,2,0,0,0,0|2,0,0]=4 7466 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [0,2,0,0,0,0|2,0,0]=4 7467 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Br 34a_100000695286_100009813875 [0,2,0,0,0,0|2,0,0]=4 7468 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 34a_100000211118_100009813875 [0,2,0,0,0,0|2,0,0]=4 7469 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 7a_100000211118_100009813875 [0,2,0,0,0,0|2,0,0]=4 7470 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 34a_100000210977_100009813875 [0,2,0,0,0,0|2,0,0]=4 7471 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 7a_100000210977_100009813875 [0,2,0,0,0,0|2,0,0]=4 7472 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 34a_100000690907_100009813875 [0,2,0,0,0,0|2,0,0]=4 7473 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 7a_100000690907_100009813875 [0,2,0,0,0,0|2,0,0]=4 7474 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)N 34a_100011215238_100009813875 [0,2,0,0,0,0|2,0,0]=4 7475 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100000189115_100009813875 [0,2,0,0,0,0|2,0,0]=4 7476 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100009813875_100000189115 [0,2,0,0,0,0|2,0,0]=4 7477 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100000187161_100009813875 [0,2,0,0,0,0|2,0,0]=4 7478 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100009813875_100000187161 [0,2,0,0,0,0|2,0,0]=4 7479 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100000198546_100009813875 [0,2,0,0,0,0|2,0,0]=4 7480 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100009813875_100000187164 [0,2,0,0,0,0|2,0,0]=4 7481 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813875 [0,2,0,0,0,0|2,0,0]=4 7482 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100009813875_100000189116 [0,2,0,0,0,0|2,0,0]=4 7483 B14R1.679 Nc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215238_100020610796 [0,2,0,0,0,0|2,0,0]=4 7484 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Br 34a_100000174875_100020610796 [0,2,0,0,0,0|2,0,0]=4 7485 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Cl 34a_100000174871_100020610796 [0,2,0,0,0,0|2,0,0]=4 7486 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)F 34a_100000174882_100020610796 [0,2,0,0,0,0|2,0,0]=4 7487 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)I 34a_100016989417_100020610796 [0,2,0,0,0,0|2,0,0]=4 7488 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [0,2,0,0,0,0|2,0,0]=4 7489 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Br 34a_100000695286_100020610796 [0,2,0,0,0,0|2,0,0]=4 7490 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Cl 34a_100000211118_100020610796 [0,2,0,0,0,0|2,0,0]=4 7491 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)F 34a_100000210977_100020610796 [0,2,0,0,0,0|2,0,0]=4 7492 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)I 34a_100000690907_100020610796 [0,2,0,0,0,0|2,0,0]=4 7493 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100000189115_100020610796 [0,2,0,0,0,0|2,0,0]=4 7494 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100020610796_100000189115 [0,2,0,0,0,0|2,0,0]=4 7495 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100000187161_100020610796 [0,2,0,0,0,0|2,0,0]=4 7496 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100020610796_100000187161 [0,2,0,0,0,0|2,0,0]=4 7497 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100000198546_100020610796 [0,2,0,0,0,0|2,0,0]=4 7498 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100020610796_100000187164 [0,2,0,0,0,0|2,0,0]=4 7499 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100000189116_100020610796 [0,2,0,0,0,0|2,0,0]=4 7500 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100020610796_100000189116 [0,2,0,0,0,0|2,0,0]=4 7501 B14R1.727 C=CC(C)OCc1ccc(cc1Br)Br 34a_100000695699_200012351560 [0,2,0,0,0,0|2,0,0]=4 7502 B14R1.727 C=CC(C)OCc1ccc(cc1Br)Cl 34a_100000695699_100000755608 [0,2,0,0,0,0|2,0,0]=4 7503 B14R1.727 C=CC(C)OCc1ccc(cc1Br)F 34a_100000695699_100000243222 [0,2,0,0,0,0|2,0,0]=4 7504 B14R1.727 C=CC(C)OCc1ccc(cc1Br)I 34a_100000695699_100010146610 [0,2,0,0,0,0|2,0,0]=4 7505 B14R1.727 C=CC(C)OCc1ccc(cc1C)Br 34a_100000695699_100000708836 [0,2,0,0,0,0|2,0,0]=4 7506 B14R1.727 C=CC(C)OCc1ccc(cc1C)C 34a_100000695699_100011219618 [0,2,0,0,0,0|2,0,0]=4 7507 B14R1.727 C=CC(C)OCc1ccc(cc1C)Cl 34a_100000695699_100012361307 [0,2,0,0,0,0|2,0,0]=4 7508 B14R1.727 C=CC(C)OCc1ccc(cc1C)F 34a_100000695699_100000700533 [0,2,0,0,0,0|2,0,0]=4 7509 B14R1.727 C=CC(C)OCc1ccc(cc1Cl)Br 34a_100000695699_100011740631 [0,2,0,0,0,0|2,0,0]=4 7510 B14R1.727 C=CC(C)OCc1ccc(cc1Cl)C 34a_100000695699_100012349684 [0,2,0,0,0,0|2,0,0]=4 7511 B14R1.727 C=CC(C)OCc1ccc(cc1Cl)Cl 34a_100000695699_100000188473 [0,2,0,0,0,0|2,0,0]=4 7512 B14R1.727 C=CC(C)OCc1ccc(cc1Cl)F 34a_100000695699_100011216360 [0,2,0,0,0,0|2,0,0]=4 7513 B14R1.727 C=CC(C)OCc1ccc(cc1F)Br 34a_100000695699_100000211606 [0,2,0,0,0,0|2,0,0]=4 7514 B14R1.727 C=CC(C)OCc1ccc(cc1F)C 34a_100000695699_100012002367 [0,2,0,0,0,0|2,0,0]=4 7515 B14R1.727 C=CC(C)OCc1ccc(cc1F)Cl 34a_100000695699_100000709361 [0,2,0,0,0,0|2,0,0]=4 7516 B14R1.727 C=CC(C)OCc1ccc(cc1F)F 34a_100000695699_100000748237 [0,2,0,0,0,0|2,0,0]=4 7517 B14R1.727 C=CC(C)OCc1ccc(cc1F)I 34a_100000695699_100010244991 [0,2,0,0,0,0|2,0,0]=4 7518 B14R1.727 C=CC(C)OCc1ccc(cc1I)Br 34a_100000695699_100010146615 [0,2,0,0,0,0|2,0,0]=4 7519 B14R1.727 C=CC(C)OCc1ccc(cc1I)Cl 34a_100000695699_100010254388 [0,2,0,0,0,0|2,0,0]=4 7520 B14R1.727 C=CC(C)OCc1ccc(cc1I)F 34a_100000695699_100012354799 [0,2,0,0,0,0|2,0,0]=4 7521 B14R1.727 C=CC(C)SCc1ccc(cc1Br)Br 62a_100011215867_200012351560 [0,2,0,0,0,0|2,0,0]=4 7522 B14R1.727 C=CC(C)SCc1ccc(cc1Br)Cl 62a_100011215867_100000755608 [0,2,0,0,0,0|2,0,0]=4 7523 B14R1.727 C=CC(C)SCc1ccc(cc1Br)F 62a_100011215867_100000243222 [0,2,0,0,0,0|2,0,0]=4 7524 B14R1.727 C=CC(C)SCc1ccc(cc1Br)I 62a_100011215867_100010146610 [0,2,0,0,0,0|2,0,0]=4 7525 B14R1.727 C=CC(C)SCc1ccc(cc1C)Br 62a_100011215867_100000708836 [0,2,0,0,0,0|2,0,0]=4 7526 B14R1.727 C=CC(C)SCc1ccc(cc1C)C 62a_100011215867_100011219618 [0,2,0,0,0,0|2,0,0]=4 7527 B14R1.727 C=CC(C)SCc1ccc(cc1C)Cl 62a_100011215867_100012361307 [0,2,0,0,0,0|2,0,0]=4 7528 B14R1.727 C=CC(C)SCc1ccc(cc1C)F 62a_100011215867_100000700533 [0,2,0,0,0,0|2,0,0]=4 7529 B14R1.727 C=CC(C)SCc1ccc(cc1Cl)Br 62a_100011215867_100011740631 [0,2,0,0,0,0|2,0,0]=4 7530 B14R1.727 C=CC(C)SCc1ccc(cc1Cl)C 62a_100011215867_100012349684 [0,2,0,0,0,0|2,0,0]=4 7531 B14R1.727 C=CC(C)SCc1ccc(cc1Cl)Cl 62a_100011215867_100000188473 [0,2,0,0,0,0|2,0,0]=4 7532 B14R1.727 C=CC(C)SCc1ccc(cc1Cl)F 62a_100011215867_100000187853 [0,2,0,0,0,0|2,0,0]=4 7533 B14R1.727 C=CC(C)SCc1ccc(cc1F)Br 62a_100011215867_100000211606 [0,2,0,0,0,0|2,0,0]=4 7534 B14R1.727 C=CC(C)SCc1ccc(cc1F)C 62a_100011215867_100011217900 [0,2,0,0,0,0|2,0,0]=4 7535 B14R1.727 C=CC(C)SCc1ccc(cc1F)Cl 62a_100011215867_100000709361 [0,2,0,0,0,0|2,0,0]=4 7536 B14R1.727 C=CC(C)SCc1ccc(cc1F)F 62a_100011215867_100000748237 [0,2,0,0,0,0|2,0,0]=4 7537 B14R1.727 C=CC(C)SCc1ccc(cc1F)I 62a_100011215867_100010244991 [0,2,0,0,0,0|2,0,0]=4 7538 B14R1.727 C=CC(C)SCc1ccc(cc1I)Br 62a_100011215867_100010146615 [0,2,0,0,0,0|2,0,0]=4 7539 B14R1.727 C=CC(C)SCc1ccc(cc1I)Cl 62a_100011215867_100010254388 [0,2,0,0,0,0|2,0,0]=4 7540 B14R1.727 C=CC(C)SCc1ccc(cc1I)F 62a_100011215867_100012354799 [0,2,0,0,0,0|2,0,0]=4 7541 B14R1.833 C=CC(C)OCc1ccc(c(c1)Br)Br 34a_100000695699_100012353900 [0,2,0,0,0,0|2,0,0]=4 7542 B14R1.833 C=CC(C)OCc1ccc(c(c1)Br)C 34a_100000695699_100012232412 [0,2,0,0,0,0|2,0,0]=4 7543 B14R1.833 C=CC(C)OCc1ccc(c(c1)Br)Cl 34a_100000695699_100012353894 [0,2,0,0,0,0|2,0,0]=4 7544 B14R1.833 C=CC(C)OCc1ccc(c(c1)Br)F 34a_100000695699_100011206884 [0,2,0,0,0,0|2,0,0]=4 7545 B14R1.833 C=CC(C)OCc1ccc(c(c1)C)Br 34a_100000695699_100000727479 [0,2,0,0,0,0|2,0,0]=4 7546 B14R1.833 C=CC(C)OCc1ccc(c(c1)C)C 34a_100000695699_100000742320 [0,2,0,0,0,0|2,0,0]=4 7547 B14R1.833 C=CC(C)OCc1ccc(c(c1)C)Cl 34a_100000695699_100012184735 [0,2,0,0,0,0|2,0,0]=4 7548 B14R1.833 C=CC(C)OCc1ccc(c(c1)C)F 34a_100000695699_100011216667 [0,2,0,0,0,0|2,0,0]=4 7549 B14R1.833 C=CC(C)OCc1ccc(c(c1)Cl)Br 34a_100000695699_100012353895 [0,2,0,0,0,0|2,0,0]=4 7550 B14R1.833 C=CC(C)OCc1ccc(c(c1)Cl)C 34a_100000695699_100011823929 [0,2,0,0,0,0|2,0,0]=4 7551 B14R1.833 C=CC(C)OCc1ccc(c(c1)Cl)Cl 34a_100000695699_100000184707 [0,2,0,0,0,0|2,0,0]=4 7552 B14R1.833 C=CC(C)OCc1ccc(c(c1)Cl)F 34a_100000695699_100011934319 [0,2,0,0,0,0|2,0,0]=4 7553 B14R1.833 C=CC(C)OCc1ccc(c(c1)Cl)I 34a_100000695699_100012349665 [0,2,0,0,0,0|2,0,0]=4 7554 B14R1.833 C=CC(C)OCc1ccc(c(c1)F)Br 34a_100000695699_100000767054 [0,2,0,0,0,0|2,0,0]=4 7555 B14R1.833 C=CC(C)OCc1ccc(c(c1)F)C 34a_100000695699_100011217369 [0,2,0,0,0,0|2,0,0]=4 7556 B14R1.833 C=CC(C)OCc1ccc(c(c1)F)Cl 34a_100000695699_100011519011 [0,2,0,0,0,0|2,0,0]=4 7557 B14R1.833 C=CC(C)OCc1ccc(c(c1)F)F 34a_100000695699_100000757363 [0,2,0,0,0,0|2,0,0]=4 7558 B14R1.833 C=CC(C)OCc1ccc(c(c1)F)I 34a_100000695699_100010149604 [0,2,0,0,0,0|2,0,0]=4 7559 B14R1.833 C=CC(C)OCc1ccc(c(c1)I)Br 34a_100000695699_100010146616 [0,2,0,0,0,0|2,0,0]=4 7560 B14R1.833 C=CC(C)OCc1ccc(c(c1)I)C 34a_100000695699_100010206137 [0,2,0,0,0,0|2,0,0]=4 7561 B14R1.833 C=CC(C)OCc1ccc(c(c1)I)F 34a_100000695699_100010188208 [0,2,0,0,0,0|2,0,0]=4 7562 B14R1.833 C=CC(C)SCc1ccc(c(c1)Br)Br 62a_100011215867_100012353900 [0,2,0,0,0,0|2,0,0]=4 7563 B14R1.833 C=CC(C)SCc1ccc(c(c1)Br)C 62a_100011215867_100012232412 [0,2,0,0,0,0|2,0,0]=4 7564 B14R1.833 C=CC(C)SCc1ccc(c(c1)Br)Cl 62a_100011215867_100012353894 [0,2,0,0,0,0|2,0,0]=4 7565 B14R1.833 C=CC(C)SCc1ccc(c(c1)Br)F 62a_100011215867_100011206884 [0,2,0,0,0,0|2,0,0]=4 7566 B14R1.833 C=CC(C)SCc1ccc(c(c1)C)Br 62a_100011215867_100000727479 [0,2,0,0,0,0|2,0,0]=4 7567 B14R1.833 C=CC(C)SCc1ccc(c(c1)C)C 62a_100011215867_100000742320 [0,2,0,0,0,0|2,0,0]=4 7568 B14R1.833 C=CC(C)SCc1ccc(c(c1)C)Cl 62a_100011215867_100012184735 [0,2,0,0,0,0|2,0,0]=4 7569 B14R1.833 C=CC(C)SCc1ccc(c(c1)C)F 62a_100011215867_100011216667 [0,2,0,0,0,0|2,0,0]=4 7570 B14R1.833 C=CC(C)SCc1ccc(c(c1)Cl)Br 62a_100011215867_100012353895 [0,2,0,0,0,0|2,0,0]=4 7571 B14R1.833 C=CC(C)SCc1ccc(c(c1)Cl)C 62a_100011215867_100011823929 [0,2,0,0,0,0|2,0,0]=4 7572 B14R1.833 C=CC(C)SCc1ccc(c(c1)Cl)Cl 62a_100011215867_100000184707 [0,2,0,0,0,0|2,0,0]=4 7573 B14R1.833 C=CC(C)SCc1ccc(c(c1)Cl)F 62a_100011215867_100011934319 [0,2,0,0,0,0|2,0,0]=4 7574 B14R1.833 C=CC(C)SCc1ccc(c(c1)Cl)I 62a_100011215867_100012349665 [0,2,0,0,0,0|2,0,0]=4 7575 B14R1.833 C=CC(C)SCc1ccc(c(c1)F)Br 62a_100011215867_100000767054 [0,2,0,0,0,0|2,0,0]=4 7576 B14R1.833 C=CC(C)SCc1ccc(c(c1)F)C 62a_100011215867_100011217369 [0,2,0,0,0,0|2,0,0]=4 7577 B14R1.833 C=CC(C)SCc1ccc(c(c1)F)Cl 62a_100011215867_100000716492 [0,2,0,0,0,0|2,0,0]=4 7578 B14R1.833 C=CC(C)SCc1ccc(c(c1)F)F 62a_100011215867_100000757363 [0,2,0,0,0,0|2,0,0]=4 7579 B14R1.833 C=CC(C)SCc1ccc(c(c1)F)I 62a_100011215867_100010149604 [0,2,0,0,0,0|2,0,0]=4 7580 B14R1.833 C=CC(C)SCc1ccc(c(c1)I)Br 62a_100011215867_100010146616 [0,2,0,0,0,0|2,0,0]=4 7581 B14R1.833 C=CC(C)SCc1ccc(c(c1)I)C 62a_100011215867_100010206137 [0,2,0,0,0,0|2,0,0]=4 7582 B14R1.833 C=CC(C)SCc1ccc(c(c1)I)F 62a_100011215867_100010188208 [0,2,0,0,0,0|2,0,0]=4 7583 B14R1.15 C=CC(C)OCc1cccc(c1Br)C 34a_100000695699_200012349612 [0,2,0,0,0,0|2,0,0]=4 7584 B14R1.15 C=CC(C)OCc1cccc(c1Br)Cl 34a_100000695699_100010145525 [0,2,0,0,0,0|2,0,0]=4 7585 B14R1.15 C=CC(C)OCc1cccc(c1Br)F 34a_100000695699_100012351116 [0,2,0,0,0,0|2,0,0]=4 7586 B14R1.15 C=CC(C)OCc1cccc(c1Br)I 34a_100000695699_100010254545 [0,2,0,0,0,0|2,0,0]=4 7587 B14R1.15 C=CC(C)OCc1cccc(c1C)Br 34a_100000695699_100000694682 [0,2,0,0,0,0|2,0,0]=4 7588 B14R1.15 C=CC(C)OCc1cccc(c1C)C 34a_100000695699_100011273979 [0,2,0,0,0,0|2,0,0]=4 7589 B14R1.15 C=CC(C)OCc1cccc(c1C)Cl 34a_100000695699_100012186920 [0,2,0,0,0,0|2,0,0]=4 7590 B14R1.15 C=CC(C)OCc1cccc(c1C)F 34a_100000695699_100009813626 [0,2,0,0,0,0|2,0,0]=4 7591 B14R1.15 C=CC(C)OCc1cccc(c1C)I 34a_100000695699_100010150147 [0,2,0,0,0,0|2,0,0]=4 7592 B14R1.15 C=CC(C)OCc1cccc(c1Cl)Br 34a_100000695699_100012349491 [0,2,0,0,0,0|2,0,0]=4 7593 B14R1.15 C=CC(C)OCc1cccc(c1Cl)Cl 34a_100000695699_100000723366 [0,2,0,0,0,0|2,0,0]=4 7594 B14R1.15 C=CC(C)OCc1cccc(c1Cl)F 34a_100000695699_100000696688 [0,2,0,0,0,0|2,0,0]=4 7595 B14R1.15 C=CC(C)OCc1cccc(c1F)Br 34a_100000695699_100012356506 [0,2,0,0,0,0|2,0,0]=4 7596 B14R1.15 C=CC(C)OCc1cccc(c1F)C 34a_100000695699_100011216058 [0,2,0,0,0,0|2,0,0]=4 7597 B14R1.15 C=CC(C)OCc1cccc(c1F)Cl 34a_100000695699_100000716733 [0,2,0,0,0,0|2,0,0]=4 7598 B14R1.15 C=CC(C)OCc1cccc(c1F)F 34a_100000695699_100000217499 [0,2,0,0,0,0|2,0,0]=4 7599 B14R1.15 C=CC(C)OCc1cccc(c1I)F 34a_100000695699_100010149603 [0,2,0,0,0,0|2,0,0]=4 7600 B14R1.15 C=CC(C)SCc1cccc(c1Br)C 62a_100011215867_200012349612 [0,2,0,0,0,0|2,0,0]=4 7601 B14R1.15 C=CC(C)SCc1cccc(c1Br)Cl 62a_100011215867_100010145525 [0,2,0,0,0,0|2,0,0]=4 7602 B14R1.15 C=CC(C)SCc1cccc(c1Br)F 62a_100011215867_100012351116 [0,2,0,0,0,0|2,0,0]=4 7603 B14R1.15 C=CC(C)SCc1cccc(c1Br)I 62a_100011215867_100010254545 [0,2,0,0,0,0|2,0,0]=4 7604 B14R1.15 C=CC(C)SCc1cccc(c1C)Br 62a_100011215867_100000694682 [0,2,0,0,0,0|2,0,0]=4 7605 B14R1.15 C=CC(C)SCc1cccc(c1C)C 62a_100011215867_100011515928 [0,2,0,0,0,0|2,0,0]=4 7606 B14R1.15 C=CC(C)SCc1cccc(c1C)Cl 62a_100011215867_100012186920 [0,2,0,0,0,0|2,0,0]=4 7607 B14R1.15 C=CC(C)SCc1cccc(c1C)F 62a_100011215867_100009813626 [0,2,0,0,0,0|2,0,0]=4 7608 B14R1.15 C=CC(C)SCc1cccc(c1C)I 62a_100011215867_100010150147 [0,2,0,0,0,0|2,0,0]=4 7609 B14R1.15 C=CC(C)SCc1cccc(c1Cl)Br 62a_100011215867_100012349491 [0,2,0,0,0,0|2,0,0]=4 7610 B14R1.15 C=CC(C)SCc1cccc(c1Cl)Cl 62a_100011215867_100000723366 [0,2,0,0,0,0|2,0,0]=4 7611 B14R1.15 C=CC(C)SCc1cccc(c1Cl)F 62a_100011215867_100000696688 [0,2,0,0,0,0|2,0,0]=4 7612 B14R1.15 C=CC(C)SCc1cccc(c1F)Br 62a_100011215867_100012356506 [0,2,0,0,0,0|2,0,0]=4 7613 B14R1.15 C=CC(C)SCc1cccc(c1F)C 62a_100011215867_100011216058 [0,2,0,0,0,0|2,0,0]=4 7614 B14R1.15 C=CC(C)SCc1cccc(c1F)Cl 62a_100011215867_100000716733 [0,2,0,0,0,0|2,0,0]=4 7615 B14R1.15 C=CC(C)SCc1cccc(c1F)F 62a_100011215867_100000217499 [0,2,0,0,0,0|2,0,0]=4 7616 B14R1.15 C=CC(C)SCc1cccc(c1I)F 62a_100011215867_100010149603 [0,2,0,0,0,0|2,0,0]=4 7617 B14R1.32 C/C=C/C(C)OCc1cccc(c1)Br 34a_200102604097_100000698116 [0,2,0,0,0,0|2,0,0]=4 7618 B14R1.32 C/C=C/C(C)OCc1cccc(c1)C 34a_200102604097_100000211840 [0,2,0,0,0,0|2,0,0]=4 7619 B14R1.32 C/C=C/C(C)OCc1cccc(c1)Cl 34a_200102604097_100000187163 [0,2,0,0,0,0|2,0,0]=4 7620 B14R1.32 C/C=C/C(C)OCc1cccc(c1)F 34a_200102604097_100000187166 [0,2,0,0,0,0|2,0,0]=4 7621 B14R1.32 C/C=C/C(C)OCc1cccc(c1)I 34a_200102604097_100011218688 [0,2,0,0,0,0|2,0,0]=4 7622 B14R1.32 C/C=C/C(C)OCc1cccc(c1)O 34a_200102604097_100011660834 [0,2,0,0,0,0|2,0,0]=4 7623 B14R1.32 C=CCN(C)CCc1cccc(c1)Br 2230a_100000225617_100011740638 [0,2,0,0,0,0|2,0,0]=4 7624 B14R1.32 C=CCN(C)CCc1cccc(c1)Br 269982a_100000225617_100011740638 [0,2,0,0,0,0|2,0,0]=4 7625 B14R1.32 C=CCN(C)CCc1cccc(c1)C 2230a_100000225617_100011713685 [0,2,0,0,0,0|2,0,0]=4 7626 B14R1.32 C=CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210623 [0,2,0,0,0,0|2,0,0]=4 7627 B14R1.32 C=CCN(C)CCc1cccc(c1)C 269982a_100000225617_100011713685 [0,2,0,0,0,0|2,0,0]=4 7628 B14R1.32 C=CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000210623 [0,2,0,0,0,0|2,0,0]=4 7629 B14R1.32 C=CCN(C)CCc1cccc(c1)C 34a_114849113767_100015514636 [0,2,0,0,0,0|2,0,0]=4 7630 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 2230a_100000225617_100011713710 [0,2,0,0,0,0|2,0,0]=4 7631 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210623 [0,2,0,0,0,0|2,0,0]=4 7632 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 269982a_100000225617_100011713710 [0,2,0,0,0,0|2,0,0]=4 7633 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000210623 [0,2,0,0,0,0|2,0,0]=4 7634 B14R1.32 C=CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100015514636 [0,2,0,0,0,0|2,0,0]=4 7635 B14R1.32 C=CCN(C)CCc1cccc(c1)F 2230a_100000225617_100011217235 [0,2,0,0,0,0|2,0,0]=4 7636 B14R1.32 C=CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210623 [0,2,0,0,0,0|2,0,0]=4 7637 B14R1.32 C=CCN(C)CCc1cccc(c1)F 269982a_100000225617_100011217235 [0,2,0,0,0,0|2,0,0]=4 7638 B14R1.32 C=CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000210623 [0,2,0,0,0,0|2,0,0]=4 7639 B14R1.32 C=CCN(C)CCc1cccc(c1)F 34a_106726388868_100015514636 [0,2,0,0,0,0|2,0,0]=4 7640 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Br 34a_100000731007_100000698116 [0,2,0,0,0,0|2,0,0]=4 7641 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Br 7a_100000731007_100000211773 [0,2,0,0,0,0|2,0,0]=4 7642 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)C 34a_100000731007_100000211840 [0,2,0,0,0,0|2,0,0]=4 7643 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)C 7a_100000731007_100000211840 [0,2,0,0,0,0|2,0,0]=4 7644 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Cl 34a_100000731007_100000187163 [0,2,0,0,0,0|2,0,0]=4 7645 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)Cl 7a_100000731007_100000187163 [0,2,0,0,0,0|2,0,0]=4 7646 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)F 34a_100000731007_100000187166 [0,2,0,0,0,0|2,0,0]=4 7647 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)F 7a_100000731007_100000230114 [0,2,0,0,0,0|2,0,0]=4 7648 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)I 34a_100000731007_100011218688 [0,2,0,0,0,0|2,0,0]=4 7649 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)I 7a_100000731007_100011218688 [0,2,0,0,0,0|2,0,0]=4 7650 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)O 34a_100000731007_100011660834 [0,2,0,0,0,0|2,0,0]=4 7651 B14R1.32 C=CC[C@@H](C)OCc1cccc(c1)O 7a_100000731007_100000084143 [0,2,0,0,0,0|2,0,0]=4 7652 B14R1.32 CCNC(C)CCc1cccc(c1)Br 270004a_100015525214_100011279149 [0,2,0,0,0,0|1,0,1]=4 7653 B14R1.32 CCNC(C)CCc1cccc(c1)F 270004a_100015525214_100000743863 [0,2,0,0,0,0|1,0,1]=4 7654 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 2230a_106726388433_200015260668 [0,2,0,0,0,0|1,0,0]=3 7655 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 269982a_106726388433_200015260668 [0,2,0,0,0,0|1,0,0]=3 7656 B14R1.32 CN(CC=O)CCc1cccc(c1)Cl 34a_106726388433_200009817547 [0,2,0,0,0,0|1,0,0]=3 7657 B14R1.32 CN(CC=O)CCc1cccc(c1)F 2230a_106726388868_200015260668 [0,2,0,0,0,0|1,0,0]=3 7658 B14R1.32 CN(CC=O)CCc1cccc(c1)F 269982a_106726388868_200015260668 [0,2,0,0,0,0|1,0,0]=3 7659 B14R1.32 CN(CC=O)CCc1cccc(c1)F 34a_106726388868_200009817547 [0,2,0,0,0,0|1,0,0]=3 7660 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 2230a_114849113767_200015260668 [0,2,0,0,0,0|1,0,0]=3 7661 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 269982a_114849113767_200015260668 [0,2,0,0,0,0|1,0,0]=3 7662 B14R1.32 Cc1cccc(c1)CCN(C)CC=O 34a_114849113767_200009817547 [0,2,0,0,0,0|1,0,0]=3 7663 B14R1.77 C=CC(C)OCc1cccc(c1)C#N 34a_100000695699_100000233786 [0,2,0,0,0,0|2,0,0]=4 7664 B14R1.77 C=CC(C)OCc1cccc(c1)C=O 34a_100000695699_100009816774 [0,2,0,0,0,0|2,0,0]=4 7665 B14R1.77 C=CC(C)OCc1cccc(c1)CO 34a_100000695699_100010188025 [0,2,0,0,0,0|2,0,0]=4 7666 B14R1.77 C=CC(C)OCc1cccc(c1)OC 34a_100000695699_100000688526 [0,2,0,0,0,0|2,0,0]=4 7667 B14R1.77 C=CC(C)SCc1cccc(c1)C#N 62a_100011215867_100000233786 [0,2,0,0,0,0|2,0,0]=4 7668 B14R1.77 C=CC(C)SCc1cccc(c1)C=O 62a_100011215867_100009816774 [0,2,0,0,0,0|2,0,0]=4 7669 B14R1.77 C=CC(C)SCc1cccc(c1)CO 62a_100011215867_100010188025 [0,2,0,0,0,0|2,0,0]=4 7670 B14R1.77 C=CC(C)SCc1cccc(c1)OC 62a_100011215867_100000211672 [0,2,0,0,0,0|2,0,0]=4 7671 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)Br 1458a_100011216780_100000211773 [0,2,0,0,0,0|1,0,1]=4 7672 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)C 1458a_100011216780_100000211840 [0,2,0,0,0,0|1,0,1]=4 7673 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100011216780_100000181238 [0,2,0,0,0,0|1,0,1]=4 7674 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)F 1458a_100011216780_100000230114 [0,2,0,0,0,0|1,0,1]=4 7675 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)I 1458a_100011216780_100011218688 [0,2,0,0,0,0|1,0,1]=4 7676 B14R1.135 C=CC(C)C(=O)Cc1cccc(c1)O 1458a_100011216780_100011660834 [0,2,0,0,0,0|1,0,1]=4 7677 B14R1.135 C=CC(C)N(C)Cc1cccc(c1)Br 269982a_100000187585_100011215867 [0,2,0,0,0,0|2,0,0]=4 7678 B14R1.135 C=CC(C)N(C)Cc1cccc(c1)C 269982a_102495364743_100011215867 [0,2,0,0,0,0|2,0,0]=4 7679 B14R1.135 C=CC(C)N(C)Cc1cccc(c1)Cl 269982a_100020629429_100011215867 [0,2,0,0,0,0|2,0,0]=4 7680 B14R1.135 C=CC(C)N(C)Cc1cccc(c1)F 269982a_100000184398_100011215867 [0,2,0,0,0,0|2,0,0]=4 7681 B14R1.135 C=CC(C)N(C)Cc1cccc(c1)O 269982a_100000207540_100011215867 [0,2,0,0,0,0|2,0,0]=4 7682 B14R1.294 C=CC(C)(C)OCc1cccc(c1)Br 34a_100011215311_100000698116 [0,2,0,0,0,0|2,0,0]=4 7683 B14R1.294 C=CC(C)(C)OCc1cccc(c1)Br 7a_100011215311_100000211773 [0,2,0,0,0,0|2,0,0]=4 7684 B14R1.294 C=CC(C)(C)OCc1cccc(c1)C 34a_100011215311_100000211840 [0,2,0,0,0,0|2,0,0]=4 7685 B14R1.294 C=CC(C)(C)OCc1cccc(c1)C 7a_100011215311_100000211840 [0,2,0,0,0,0|2,0,0]=4 7686 B14R1.294 C=CC(C)(C)OCc1cccc(c1)Cl 34a_100011215311_100000187163 [0,2,0,0,0,0|2,0,0]=4 7687 B14R1.294 C=CC(C)(C)OCc1cccc(c1)Cl 7a_100011215311_100000187163 [0,2,0,0,0,0|2,0,0]=4 7688 B14R1.294 C=CC(C)(C)OCc1cccc(c1)F 34a_100011215311_100000187166 [0,2,0,0,0,0|2,0,0]=4 7689 B14R1.294 C=CC(C)(C)OCc1cccc(c1)F 7a_100011215311_100000230114 [0,2,0,0,0,0|2,0,0]=4 7690 B14R1.294 C=CC(C)(C)OCc1cccc(c1)I 34a_100011215311_100011218688 [0,2,0,0,0,0|2,0,0]=4 7691 B14R1.294 C=CC(C)(C)OCc1cccc(c1)I 7a_100011215311_100011218688 [0,2,0,0,0,0|2,0,0]=4 7692 B14R1.294 C=CC(C)(C)OCc1cccc(c1)O 34a_100011215311_100011660834 [0,2,0,0,0,0|2,0,0]=4 7693 B14R1.294 C=CC(C)(C)OCc1cccc(c1)O 7a_100011215311_100000084143 [0,2,0,0,0,0|2,0,0]=4 7694 B14R1.547 C=CC(CC)OCc1cccc(c1)Br 34a_100000766422_100000698116 [0,2,0,0,0,0|2,0,0]=4 7695 B14R1.547 C=CC(CC)OCc1cccc(c1)Br 7a_100000766422_100000211773 [0,2,0,0,0,0|2,0,0]=4 7696 B14R1.547 C=CC(CC)OCc1cccc(c1)C 34a_100000766422_100000211840 [0,2,0,0,0,0|2,0,0]=4 7697 B14R1.547 C=CC(CC)OCc1cccc(c1)C 7a_100000766422_100000211840 [0,2,0,0,0,0|2,0,0]=4 7698 B14R1.547 C=CC(CC)OCc1cccc(c1)Cl 34a_100000766422_100000187163 [0,2,0,0,0,0|2,0,0]=4 7699 B14R1.547 C=CC(CC)OCc1cccc(c1)Cl 7a_100000766422_100000187163 [0,2,0,0,0,0|2,0,0]=4 7700 B14R1.547 C=CC(CC)OCc1cccc(c1)F 34a_100000766422_100000187166 [0,2,0,0,0,0|2,0,0]=4 7701 B14R1.547 C=CC(CC)OCc1cccc(c1)F 7a_100000766422_100000230114 [0,2,0,0,0,0|2,0,0]=4 7702 B14R1.547 C=CC(CC)OCc1cccc(c1)I 34a_100000766422_100011218688 [0,2,0,0,0,0|2,0,0]=4 7703 B14R1.547 C=CC(CC)OCc1cccc(c1)I 7a_100000766422_100011218688 [0,2,0,0,0,0|2,0,0]=4 7704 B14R1.547 C=CC(CC)OCc1cccc(c1)O 34a_100000766422_100011660834 [0,2,0,0,0,0|2,0,0]=4 7705 B14R1.547 C=CC(CC)OCc1cccc(c1)O 7a_100000766422_100000084143 [0,2,0,0,0,0|2,0,0]=4 7706 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Br 2230a_100016989147_100000698116 [0,2,0,0,0,0|2,0,0]=4 7707 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Br 270004a_100016989147_100000210085 [0,2,0,0,0,0|2,0,0]=4 7708 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Br 34a_100016989147_100000698116 [0,2,0,0,0,0|2,0,0]=4 7709 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)C 2230a_100016989147_100000211840 [0,2,0,0,0,0|2,0,0]=4 7710 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)C 270004a_100016989147_100000211157 [0,2,0,0,0,0|2,0,0]=4 7711 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)C 34a_100016989147_100000211840 [0,2,0,0,0,0|2,0,0]=4 7712 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Cl 2230a_100016989147_100000181238 [0,2,0,0,0,0|2,0,0]=4 7713 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Cl 270004a_100016989147_100000210801 [0,2,0,0,0,0|2,0,0]=4 7714 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)Cl 34a_100016989147_100000187163 [0,2,0,0,0,0|2,0,0]=4 7715 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)F 2230a_100016989147_100000230114 [0,2,0,0,0,0|2,0,0]=4 7716 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)F 270004a_100016989147_100000210812 [0,2,0,0,0,0|2,0,0]=4 7717 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)F 34a_100016989147_100000187166 [0,2,0,0,0,0|2,0,0]=4 7718 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)I 2230a_100016989147_100011218688 [0,2,0,0,0,0|2,0,0]=4 7719 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)I 270004a_100016989147_100000014684 [0,2,0,0,0,0|2,0,0]=4 7720 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)I 34a_100016989147_100011218688 [0,2,0,0,0,0|2,0,0]=4 7721 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)O 2230a_100016989147_100011660834 [0,2,0,0,0,0|2,0,0]=4 7722 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)O 270004a_100016989147_100000188321 [0,2,0,0,0,0|2,0,0]=4 7723 B14R1.547 C=C[C@@H](CO)NCc1cccc(c1)O 34a_100016989147_100011660834 [0,2,0,0,0,0|2,0,0]=4 7724 B14R1.547 Cc1cccc(c1)CNC(C=O)C=O 2230a_100000185548_100000736813 [0,2,0,0,0,0|1,0,1]=4 7725 B14R1.547 Cc1cccc(c1)CNC(C=O)C=O 34a_100000185548_100000736813 [0,2,0,0,0,0|1,0,1]=4 7726 B14R1.547 Cc1cccc(c1)COC(C=O)C=O 34a_100011217746_100000736813 [0,2,0,0,0,0|1,0,1]=4 7727 B14R1.547 Cc1cccc(c1)CSC(C=O)C=O 62a_100000211840_100000736813 [0,2,0,0,0,0|1,0,1]=4 7728 B14R1.547 Cc1cccc(c1)CSC(C=O)C=O 62a_100000736813_100000211840 [0,2,0,0,0,0|1,0,1]=4 7729 B14R1.547 Nc1cccc(c1)COC(C=O)C=O 34a_100000211919_100000736813 [0,2,0,0,0,0|1,0,1]=4 7730 B14R1.547 O=CC(C=O)NCc1cccc(c1)Br 2230a_100000174977_100000736813 [0,2,0,0,0,0|1,0,1]=4 7731 B14R1.547 O=CC(C=O)NCc1cccc(c1)Br 34a_100000174977_100000736813 [0,2,0,0,0,0|1,0,1]=4 7732 B14R1.547 O=CC(C=O)NCc1cccc(c1)Cl 2230a_100000174878_100000736813 [0,2,0,0,0,0|1,0,1]=4 7733 B14R1.547 O=CC(C=O)NCc1cccc(c1)Cl 34a_100000174878_100000736813 [0,2,0,0,0,0|1,0,1]=4 7734 B14R1.547 O=CC(C=O)NCc1cccc(c1)F 2230a_100000174948_100000736813 [0,2,0,0,0,0|1,0,1]=4 7735 B14R1.547 O=CC(C=O)NCc1cccc(c1)F 34a_100000174948_100000736813 [0,2,0,0,0,0|1,0,1]=4 7736 B14R1.547 O=CC(C=O)NCc1cccc(c1)I 2230a_100000106179_100000736813 [0,2,0,0,0,0|1,0,1]=4 7737 B14R1.547 O=CC(C=O)NCc1cccc(c1)I 34a_100000106179_100000736813 [0,2,0,0,0,0|1,0,1]=4 7738 B14R1.547 O=CC(C=O)NCc1cccc(c1)O 2230a_100000743036_100000736813 [0,2,0,0,0,0|1,0,1]=4 7739 B14R1.547 O=CC(C=O)NCc1cccc(c1)O 34a_100000743036_100000736813 [0,2,0,0,0,0|1,0,1]=4 7740 B14R1.547 O=CC(C=O)OCc1cccc(c1)Br 34a_100000687537_100000736813 [0,2,0,0,0,0|1,0,1]=4 7741 B14R1.547 O=CC(C=O)OCc1cccc(c1)Cl 34a_100000241301_100000736813 [0,2,0,0,0,0|1,0,1]=4 7742 B14R1.547 O=CC(C=O)OCc1cccc(c1)F 34a_100000210976_100000736813 [0,2,0,0,0,0|1,0,1]=4 7743 B14R1.547 O=CC(C=O)OCc1cccc(c1)I 34a_100011215336_100000736813 [0,2,0,0,0,0|1,0,1]=4 7744 B14R1.547 O=CC(C=O)SCc1cccc(c1)Br 62a_100000211773_100000736813 [0,2,0,0,0,0|1,0,1]=4 7745 B14R1.547 O=CC(C=O)SCc1cccc(c1)Br 62a_100000736813_100000211773 [0,2,0,0,0,0|1,0,1]=4 7746 B14R1.547 O=CC(C=O)SCc1cccc(c1)Cl 62a_100000187163_100000736813 [0,2,0,0,0,0|1,0,1]=4 7747 B14R1.547 O=CC(C=O)SCc1cccc(c1)Cl 62a_100000736813_100000187163 [0,2,0,0,0,0|1,0,1]=4 7748 B14R1.547 O=CC(C=O)SCc1cccc(c1)F 62a_100000230114_100000736813 [0,2,0,0,0,0|1,0,1]=4 7749 B14R1.547 O=CC(C=O)SCc1cccc(c1)F 62a_100000736813_100000230114 [0,2,0,0,0,0|1,0,1]=4 7750 B14R1.547 O=CC(C=O)SCc1cccc(c1)I 62a_100000736813_100011218688 [0,2,0,0,0,0|1,0,1]=4 7751 B14R1.547 O=CC(C=O)SCc1cccc(c1)I 62a_100011218688_100000736813 [0,2,0,0,0,0|1,0,1]=4 7752 B14R1.547 O=CC(C=O)SCc1cccc(c1)O 62a_100000736813_100011660834 [0,2,0,0,0,0|1,0,1]=4 7753 B14R1.547 O=CC(C=O)SCc1cccc(c1)O 62a_100011660834_100000736813 [0,2,0,0,0,0|1,0,1]=4 7754 B14R1.820 C=CC(C)OCc1cc(ccc1Br)Br 34a_100000695699_100011982794 [0,2,0,0,0,0|2,0,0]=4 7755 B14R1.820 C=CC(C)OCc1cc(ccc1Br)Cl 34a_100000695699_100000733903 [0,2,0,0,0,0|2,0,0]=4 7756 B14R1.820 C=CC(C)OCc1cc(ccc1Br)F 34a_100000695699_100000736370 [0,2,0,0,0,0|2,0,0]=4 7757 B14R1.820 C=CC(C)OCc1cc(ccc1Br)I 34a_100000695699_100012355412 [0,2,0,0,0,0|2,0,0]=4 7758 B14R1.820 C=CC(C)OCc1cc(ccc1C)C 34a_100000695699_100000184699 [0,2,0,0,0,0|2,0,0]=4 7759 B14R1.820 C=CC(C)OCc1cc(ccc1C)Cl 34a_100000695699_100012186985 [0,2,0,0,0,0|2,0,0]=4 7760 B14R1.820 C=CC(C)OCc1cc(ccc1C)F 34a_100000695699_100000709795 [0,2,0,0,0,0|2,0,0]=4 7761 B14R1.820 C=CC(C)OCc1cc(ccc1Cl)Br 34a_100000695699_100000763347 [0,2,0,0,0,0|2,0,0]=4 7762 B14R1.820 C=CC(C)OCc1cc(ccc1Cl)C 34a_100000695699_100009871730 [0,2,0,0,0,0|2,0,0]=4 7763 B14R1.820 C=CC(C)OCc1cc(ccc1Cl)Cl 34a_100000695699_100000756322 [0,2,0,0,0,0|2,0,0]=4 7764 B14R1.820 C=CC(C)OCc1cc(ccc1Cl)F 34a_100000695699_100000709952 [0,2,0,0,0,0|2,0,0]=4 7765 B14R1.820 C=CC(C)OCc1cc(ccc1Cl)I 34a_100000695699_100010188191 [0,2,0,0,0,0|2,0,0]=4 7766 B14R1.820 C=CC(C)OCc1cc(ccc1F)Br 34a_100000695699_100000736399 [0,2,0,0,0,0|2,0,0]=4 7767 B14R1.820 C=CC(C)OCc1cc(ccc1F)C 34a_100000695699_100011260760 [0,2,0,0,0,0|2,0,0]=4 7768 B14R1.820 C=CC(C)OCc1cc(ccc1F)Cl 34a_100000695699_100000716957 [0,2,0,0,0,0|2,0,0]=4 7769 B14R1.820 C=CC(C)OCc1cc(ccc1F)F 34a_100000695699_100000741279 [0,2,0,0,0,0|2,0,0]=4 7770 B14R1.820 C=CC(C)OCc1cc(ccc1F)I 34a_100000695699_200010149601 [0,2,0,0,0,0|2,0,0]=4 7771 B14R1.820 C=CC(C)OCc1cc(ccc1I)Br 34a_100000695699_100012362523 [0,2,0,0,0,0|2,0,0]=4 7772 B14R1.820 C=CC(C)OCc1cc(ccc1I)Cl 34a_100000695699_100012348826 [0,2,0,0,0,0|2,0,0]=4 7773 B14R1.820 C=CC(C)OCc1cc(ccc1I)F 34a_100000695699_100010149606 [0,2,0,0,0,0|2,0,0]=4 7774 B14R1.820 C=CC(C)OCc1cc(ccc1O)F 34a_100000695699_100010161318 [0,2,0,0,0,0|2,0,0]=4 7775 B14R1.820 C=CC(C)SCc1cc(ccc1Br)Br 62a_100011215867_100011982794 [0,2,0,0,0,0|2,0,0]=4 7776 B14R1.820 C=CC(C)SCc1cc(ccc1Br)Cl 62a_100011215867_100000733903 [0,2,0,0,0,0|2,0,0]=4 7777 B14R1.820 C=CC(C)SCc1cc(ccc1Br)F 62a_100011215867_100000736370 [0,2,0,0,0,0|2,0,0]=4 7778 B14R1.820 C=CC(C)SCc1cc(ccc1Br)I 62a_100011215867_100012355412 [0,2,0,0,0,0|2,0,0]=4 7779 B14R1.820 C=CC(C)SCc1cc(ccc1C)C 62a_100011215867_100000184699 [0,2,0,0,0,0|2,0,0]=4 7780 B14R1.820 C=CC(C)SCc1cc(ccc1C)Cl 62a_100011215867_100012186985 [0,2,0,0,0,0|2,0,0]=4 7781 B14R1.820 C=CC(C)SCc1cc(ccc1C)F 62a_100011215867_100000709795 [0,2,0,0,0,0|2,0,0]=4 7782 B14R1.820 C=CC(C)SCc1cc(ccc1Cl)Br 62a_100011215867_100000763347 [0,2,0,0,0,0|2,0,0]=4 7783 B14R1.820 C=CC(C)SCc1cc(ccc1Cl)C 62a_100011215867_100009871730 [0,2,0,0,0,0|2,0,0]=4 7784 B14R1.820 C=CC(C)SCc1cc(ccc1Cl)Cl 62a_100011215867_100000756322 [0,2,0,0,0,0|2,0,0]=4 7785 B14R1.820 C=CC(C)SCc1cc(ccc1Cl)F 62a_100011215867_100000709952 [0,2,0,0,0,0|2,0,0]=4 7786 B14R1.820 C=CC(C)SCc1cc(ccc1Cl)I 62a_100011215867_100010188191 [0,2,0,0,0,0|2,0,0]=4 7787 B14R1.820 C=CC(C)SCc1cc(ccc1F)Br 62a_100011215867_100000736399 [0,2,0,0,0,0|2,0,0]=4 7788 B14R1.820 C=CC(C)SCc1cc(ccc1F)C 62a_100011215867_100011260760 [0,2,0,0,0,0|2,0,0]=4 7789 B14R1.820 C=CC(C)SCc1cc(ccc1F)Cl 62a_100011215867_100000716957 [0,2,0,0,0,0|2,0,0]=4 7790 B14R1.820 C=CC(C)SCc1cc(ccc1F)F 62a_100011215867_100000685659 [0,2,0,0,0,0|2,0,0]=4 7791 B14R1.820 C=CC(C)SCc1cc(ccc1F)I 62a_100011215867_200010149601 [0,2,0,0,0,0|2,0,0]=4 7792 B14R1.820 C=CC(C)SCc1cc(ccc1I)Br 62a_100011215867_100012362523 [0,2,0,0,0,0|2,0,0]=4 7793 B14R1.820 C=CC(C)SCc1cc(ccc1I)Cl 62a_100011215867_100012348826 [0,2,0,0,0,0|2,0,0]=4 7794 B14R1.820 C=CC(C)SCc1cc(ccc1I)F 62a_100011215867_100010149606 [0,2,0,0,0,0|2,0,0]=4 7795 B14R1.820 C=CC(C)SCc1cc(ccc1O)F 62a_100011215867_100010161318 [0,2,0,0,0,0|2,0,0]=4 7796 B14R1.825 C=CC(C)OCc1cc(cc(c1)Br)Br 34a_100000695699_100011216082 [0,2,0,0,0,0|2,0,0]=4 7797 B14R1.825 C=CC(C)OCc1cc(cc(c1)Br)C 34a_100000695699_100012348363 [0,2,0,0,0,0|2,0,0]=4 7798 B14R1.825 C=CC(C)OCc1cc(cc(c1)Br)F 34a_100000695699_100000766940 [0,2,0,0,0,0|2,0,0]=4 7799 B14R1.825 C=CC(C)OCc1cc(cc(c1)C)C 34a_100000695699_100000181317 [0,2,0,0,0,0|2,0,0]=4 7800 B14R1.825 C=CC(C)OCc1cc(cc(c1)Cl)F 34a_100000695699_100011219885 [0,2,0,0,0,0|2,0,0]=4 7801 B14R1.825 C=CC(C)OCc1cc(cc(c1)F)C 34a_100000695699_100011219130 [0,2,0,0,0,0|2,0,0]=4 7802 B14R1.825 C=CC(C)OCc1cc(cc(c1)F)F 34a_100000695699_100000697002 [0,2,0,0,0,0|2,0,0]=4 7803 B14R1.825 C=CC(C)OCc1cc(cc(c1)I)Br 34a_100000695699_100010146614 [0,2,0,0,0,0|2,0,0]=4 7804 B14R1.825 C=CC(C)OCc1cc(cc(c1)I)F 34a_100000695699_100010149605 [0,2,0,0,0,0|2,0,0]=4 7805 B14R1.825 C=CC(C)SCc1cc(cc(c1)Br)Br 62a_100011215867_100011216082 [0,2,0,0,0,0|2,0,0]=4 7806 B14R1.825 C=CC(C)SCc1cc(cc(c1)Br)C 62a_100011215867_100012348363 [0,2,0,0,0,0|2,0,0]=4 7807 B14R1.825 C=CC(C)SCc1cc(cc(c1)Br)F 62a_100011215867_100000766940 [0,2,0,0,0,0|2,0,0]=4 7808 B14R1.825 C=CC(C)SCc1cc(cc(c1)C)C 62a_100011215867_100000181317 [0,2,0,0,0,0|2,0,0]=4 7809 B14R1.825 C=CC(C)SCc1cc(cc(c1)Cl)Cl 62a_100011215867_100011219208 [0,2,0,0,0,0|2,0,0]=4 7810 B14R1.825 C=CC(C)SCc1cc(cc(c1)Cl)F 62a_100011215867_100011219885 [0,2,0,0,0,0|2,0,0]=4 7811 B14R1.825 C=CC(C)SCc1cc(cc(c1)F)C 62a_100011215867_100011219130 [0,2,0,0,0,0|2,0,0]=4 7812 B14R1.825 C=CC(C)SCc1cc(cc(c1)F)F 62a_100011215867_100000697002 [0,2,0,0,0,0|2,0,0]=4 7813 B14R1.825 C=CC(C)SCc1cc(cc(c1)I)Br 62a_100011215867_100010146614 [0,2,0,0,0,0|2,0,0]=4 7814 B14R1.825 C=CC(C)SCc1cc(cc(c1)I)F 62a_100011215867_100010149605 [0,2,0,0,0,0|2,0,0]=4 7815 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)Br 269862a_100000174977_100011216138 [0,2,0,0,0,0|2,0,0]=4 7816 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)C 269862a_100000185548_100011216138 [0,2,0,0,0,0|2,0,0]=4 7817 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)Cl 269862a_100000174878_100011216138 [0,2,0,0,0,0|2,0,0]=4 7818 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)F 269862a_100000174948_100011216138 [0,2,0,0,0,0|2,0,0]=4 7819 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)I 269862a_100000106179_100011216138 [0,2,0,0,0,0|2,0,0]=4 7820 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)O 269862a_100000743036_100011216138 [0,2,0,0,0,0|2,0,0]=4 7821 B14R1.5956 CC(=O)C(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100009814033 [0,2,0,0,0,0|2,0,0]=4 7822 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Br 2230a_100000174977_100009814033 [0,2,0,0,0,0|1,0,0]=3 7823 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)C 2230a_100000185548_100009814033 [0,2,0,0,0,0|1,0,0]=3 7824 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Cl 2230a_100000174878_100009814033 [0,2,0,0,0,0|1,0,0]=3 7825 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)F 2230a_100000174948_100009814033 [0,2,0,0,0,0|1,0,0]=3 7826 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100009814033 [0,2,0,0,0,0|1,0,0]=3 7827 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100009814033 [0,2,0,0,0,0|1,0,0]=3 7828 B14R1.5956 CC(=O)C(C)NCc1cccc(n1)Br 2230a_100016987751_100009814033 [0,2,0,0,0,0|2,0,0]=4 7829 B14R1.5956 CC(=O)C(C)NCc1cccc(n1)Cl 2230a_100016990191_100009814033 [0,2,0,0,0,0|2,0,0]=4 7830 B14R1.5956 CC(=O)C(C)NCc1cccc(n1)F 2230a_100015188798_100009814033 [0,2,0,0,0,0|2,0,0]=4 7831 B14R1.5956 CC(=O)C(C)NCc1ccnc(c1)Br 2230a_100025757509_100009814033 [0,2,0,0,0,0|2,0,0]=4 7832 B14R1.5956 CC(=O)C(C)NCc1ccnc(c1)Cl 2230a_100015205668_100009814033 [0,2,0,0,0,0|2,0,0]=4 7833 B14R1.5956 CC(=O)C(C)NCc1ccnc(c1)F 2230a_100015188774_100009814033 [0,2,0,0,0,0|2,0,0]=4 7834 B14R1.5956 CC(=O)C(C)NCc1cncc(c1)C 2230a_100000692839_100009814033 [0,2,0,0,0,0|2,0,0]=4 7835 B14R1.5956 CC(=O)C(C)NCc1cncc(c1)Cl 2230a_200020614424_100009814033 [0,2,0,0,0,0|2,0,0]=4 7836 B14R1.5956 CC(=O)C(C)NCc1cncc(c1)F 2230a_100011962886_100009814033 [0,2,0,0,0,0|2,0,0]=4 7837 B14R1.5956 CC(=O)C(C)OCc1cc(ccn1)Br 34a_100000212229_100010173614 [0,2,0,0,0,0|2,0,0]=4 7838 B14R1.5956 CC(=O)C(C)OCc1cc(ccn1)C 34a_100000212229_100000718516 [0,2,0,0,0,0|2,0,0]=4 7839 B14R1.5956 CC(=O)C(C)OCc1cc(ccn1)Cl 34a_100000212229_100016988179 [0,2,0,0,0,0|2,0,0]=4 7840 B14R1.5956 CC(=O)C(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000179758 [0,2,0,0,0,0|2,0,0]=4 7841 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 34a_100000212229_100000698116 [0,2,0,0,0,0|1,0,0]=3 7842 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 7a_100000687537_100000179758 [0,2,0,0,0,0|1,0,0]=3 7843 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 34a_100000212229_100000211840 [0,2,0,0,0,0|1,0,0]=3 7844 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 7a_100011217746_100000179758 [0,2,0,0,0,0|1,0,0]=3 7845 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 34a_100000212229_100000187163 [0,2,0,0,0,0|1,0,0]=3 7846 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 7a_100000241301_100000179758 [0,2,0,0,0,0|1,0,0]=3 7847 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 34a_100000212229_100000187166 [0,2,0,0,0,0|1,0,0]=3 7848 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 7a_100000210976_100000179758 [0,2,0,0,0,0|1,0,0]=3 7849 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 34a_100000212229_100011218688 [0,2,0,0,0,0|1,0,0]=3 7850 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000179758 [0,2,0,0,0,0|1,0,0]=3 7851 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)O 34a_100000212229_100011660834 [0,2,0,0,0,0|1,0,0]=3 7852 B14R1.5956 CC(=O)C(C)OCc1cccc(n1)Br 34a_100000212229_100009889011 [0,2,0,0,0,0|2,0,0]=4 7853 B14R1.5956 CC(=O)C(C)OCc1cccc(n1)C 34a_100000212229_100000757606 [0,2,0,0,0,0|2,0,0]=4 7854 B14R1.5956 CC(=O)C(C)OCc1cccc(n1)Cl 34a_100000212229_100000086093 [0,2,0,0,0,0|2,0,0]=4 7855 B14R1.5956 CC(=O)C(C)OCc1cccc(n1)F 34a_100000212229_100009819644 [0,2,0,0,0,0|2,0,0]=4 7856 B14R1.5956 CC(=O)C(C)OCc1ccnc(c1)Br 34a_100000212229_100010243470 [0,2,0,0,0,0|2,0,0]=4 7857 B14R1.5956 CC(=O)C(C)OCc1ccnc(c1)Br 7a_100009814636_100000179758 [0,2,0,0,0,0|2,0,0]=4 7858 B14R1.5956 CC(=O)C(C)OCc1ccnc(c1)C 34a_100000212229_200020672517 [0,2,0,0,0,0|2,0,0]=4 7859 B14R1.5956 CC(=O)C(C)OCc1ccnc(c1)Cl 34a_100000212229_100000764220 [0,2,0,0,0,0|2,0,0]=4 7860 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)Br 34a_100000212229_100000738771 [0,2,0,0,0,0|2,0,0]=4 7861 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)Br 7a_100011259137_100000179758 [0,2,0,0,0,0|2,0,0]=4 7862 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)C 34a_100000212229_100000716715 [0,2,0,0,0,0|2,0,0]=4 7863 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)C 7a_100011998709_100000179758 [0,2,0,0,0,0|2,0,0]=4 7864 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)Cl 34a_100000212229_100016992070 [0,2,0,0,0,0|2,0,0]=4 7865 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)Cl 7a_100000092867_100000179758 [0,2,0,0,0,0|2,0,0]=4 7866 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)F 34a_100000212229_100000725299 [0,2,0,0,0,0|2,0,0]=4 7867 B14R1.5956 CC(=O)C(C)OCc1cncc(c1)F 7a_100011962875_100000179758 [0,2,0,0,0,0|2,0,0]=4 7868 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)Br 62a_100009814033_100010173614 [0,2,0,0,0,0|2,0,0]=4 7869 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)Br 62a_100010173614_100009814033 [0,2,0,0,0,0|2,0,0]=4 7870 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)C 62a_100000718516_100009814033 [0,2,0,0,0,0|2,0,0]=4 7871 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)C 62a_100009814033_100000718516 [0,2,0,0,0,0|2,0,0]=4 7872 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)Cl 62a_100009814033_100016988179 [0,2,0,0,0,0|2,0,0]=4 7873 B14R1.5956 CC(=O)C(C)SCc1cc(ccn1)Cl 62a_100016988179_100009814033 [0,2,0,0,0,0|2,0,0]=4 7874 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100009814033 [0,2,0,0,0,0|1,0,0]=3 7875 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100009814033_100000211773 [0,2,0,0,0,0|1,0,0]=3 7876 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100009814033 [0,2,0,0,0,0|1,0,0]=3 7877 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100009814033_100000211840 [0,2,0,0,0,0|1,0,0]=3 7878 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100009814033 [0,2,0,0,0,0|1,0,0]=3 7879 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100009814033_100000187163 [0,2,0,0,0,0|1,0,0]=3 7880 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100009814033 [0,2,0,0,0,0|1,0,0]=3 7881 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100009814033_100000230114 [0,2,0,0,0,0|1,0,0]=3 7882 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [0,2,0,0,0,0|1,0,0]=3 7883 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [0,2,0,0,0,0|1,0,0]=3 7884 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100009814033_100011660834 [0,2,0,0,0,0|1,0,0]=3 7885 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100009814033 [0,2,0,0,0,0|1,0,0]=3 7886 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)Br 62a_100009814033_100009889011 [0,2,0,0,0,0|2,0,0]=4 7887 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)Br 62a_100009889011_100009814033 [0,2,0,0,0,0|2,0,0]=4 7888 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)C 62a_100000757606_100009814033 [0,2,0,0,0,0|2,0,0]=4 7889 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)C 62a_100009814033_100000757606 [0,2,0,0,0,0|2,0,0]=4 7890 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)Cl 62a_100000086093_100009814033 [0,2,0,0,0,0|2,0,0]=4 7891 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)Cl 62a_100009814033_100000086093 [0,2,0,0,0,0|2,0,0]=4 7892 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)F 62a_100009814033_100009819644 [0,2,0,0,0,0|2,0,0]=4 7893 B14R1.5956 CC(=O)C(C)SCc1cccc(n1)F 62a_100009819644_100009814033 [0,2,0,0,0,0|2,0,0]=4 7894 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)Br 62a_100009814033_100010243470 [0,2,0,0,0,0|2,0,0]=4 7895 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)Br 62a_100010254460_100009814033 [0,2,0,0,0,0|2,0,0]=4 7896 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)C 62a_100009814033_200020672517 [0,2,0,0,0,0|2,0,0]=4 7897 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)C 62a_200020672517_100009814033 [0,2,0,0,0,0|2,0,0]=4 7898 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)Cl 62a_100000764220_100009814033 [0,2,0,0,0,0|2,0,0]=4 7899 B14R1.5956 CC(=O)C(C)SCc1ccnc(c1)Cl 62a_100009814033_100000764220 [0,2,0,0,0,0|2,0,0]=4 7900 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)Br 62a_100000738771_100009814033 [0,2,0,0,0,0|2,0,0]=4 7901 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)Br 62a_100009814033_100000738771 [0,2,0,0,0,0|2,0,0]=4 7902 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)C 62a_100000716715_100009814033 [0,2,0,0,0,0|2,0,0]=4 7903 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)C 62a_100009814033_100000716715 [0,2,0,0,0,0|2,0,0]=4 7904 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)Cl 62a_100009814033_100016992070 [0,2,0,0,0,0|2,0,0]=4 7905 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)Cl 62a_100016992070_100009814033 [0,2,0,0,0,0|2,0,0]=4 7906 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)F 62a_100000725299_100009814033 [0,2,0,0,0,0|2,0,0]=4 7907 B14R1.5956 CC(=O)C(C)SCc1cncc(c1)F 62a_100009814033_100000725299 [0,2,0,0,0,0|2,0,0]=4 7908 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 11a_114849113767_100015343762 [0,2,0,0,0,0|1,0,0]=3 7909 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 1626a_114849113767_100015343762 [0,2,0,0,0,0|1,0,0]=3 7910 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 240690a_114849113767_100015343762 [0,2,0,0,0,0|1,0,0]=3 7911 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)C 527a_114849113767_100103153847 [0,2,0,0,0,0|1,0,0]=3 7912 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 11a_106726388433_100015343762 [0,2,0,0,0,0|1,0,0]=3 7913 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 1626a_106726388433_100015343762 [0,2,0,0,0,0|1,0,0]=3 7914 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 240690a_106726388433_100015343762 [0,2,0,0,0,0|1,0,0]=3 7915 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)Cl 527a_106726388433_100103153847 [0,2,0,0,0,0|1,0,0]=3 7916 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 11a_106726388868_100015343762 [0,2,0,0,0,0|1,0,0]=3 7917 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 1626a_106726388868_100015343762 [0,2,0,0,0,0|1,0,0]=3 7918 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 240690a_106726388868_100015343762 [0,2,0,0,0,0|1,0,0]=3 7919 B14R1.5956 CC(=O)N(C)CCc1cccc(c1)F 527a_106726388868_100103153847 [0,2,0,0,0,0|1,0,0]=3 7920 B14R1.5956 CC(CCc1cccc(c1)Br)N(C)C 270004a_100102631434_100011279149 [0,2,0,0,0,0|2,0,0]=4 7921 B14R1.5956 CC(CCc1cccc(c1)F)N(C)C 270004a_100102631434_100000743863 [0,2,0,0,0,0|2,0,0]=4 7922 B14R1.5956 CC(NCc1cccc(=O)[nH]1)C(=O)N 2230a_100000696482_100000702099 [0,2,0,0,0,0|2,0,0]=4 7923 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 2230a_100000174977_100000702099 [0,2,0,0,0,0|1,0,0]=3 7924 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 34a_100000174977_100000702099 [0,2,0,0,0,0|1,0,0]=3 7925 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 2230a_100000174878_100000702099 [0,2,0,0,0,0|1,0,0]=3 7926 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 34a_100000174878_100000702099 [0,2,0,0,0,0|1,0,0]=3 7927 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 2230a_100000174948_100000702099 [0,2,0,0,0,0|1,0,0]=3 7928 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 34a_100000174948_100000702099 [0,2,0,0,0,0|1,0,0]=3 7929 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 2230a_100000106179_100000702099 [0,2,0,0,0,0|1,0,0]=3 7930 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 34a_100000106179_100000702099 [0,2,0,0,0,0|1,0,0]=3 7931 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000702099 [0,2,0,0,0,0|1,0,0]=3 7932 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000702099 [0,2,0,0,0,0|1,0,0]=3 7933 B14R1.5956 CC(NCc1cccc(n1)Br)C(=O)N 2230a_100016987751_100000702099 [0,2,0,0,0,0|2,0,0]=4 7934 B14R1.5956 CC(NCc1cccc(n1)Cl)C(=O)N 2230a_100016990191_100000702099 [0,2,0,0,0,0|2,0,0]=4 7935 B14R1.5956 CC(NCc1cccc(n1)F)C(=O)N 2230a_100015188798_100000702099 [0,2,0,0,0,0|2,0,0]=4 7936 B14R1.5956 CC(NCc1cccc(n1)F)C(=O)N 34a_100015188798_100000702099 [0,2,0,0,0,0|2,0,0]=4 7937 B14R1.5956 CC(NCc1ccnc(c1)Br)C(=O)N 2230a_100025757509_100000702099 [0,2,0,0,0,0|2,0,0]=4 7938 B14R1.5956 CC(NCc1ccnc(c1)Br)C(=O)N 34a_100025757509_100000702099 [0,2,0,0,0,0|2,0,0]=4 7939 B14R1.5956 CC(NCc1ccnc(c1)Cl)C(=O)N 2230a_100015205668_100000702099 [0,2,0,0,0,0|2,0,0]=4 7940 B14R1.5956 CC(NCc1ccnc(c1)Cl)C(=O)N 34a_100015205668_100000702099 [0,2,0,0,0,0|2,0,0]=4 7941 B14R1.5956 CC(NCc1ccnc(c1)F)C(=O)N 2230a_100015188774_100000702099 [0,2,0,0,0,0|2,0,0]=4 7942 B14R1.5956 CC(NCc1ccnc(c1)F)C(=O)N 34a_100015188774_100000702099 [0,2,0,0,0,0|2,0,0]=4 7943 B14R1.5956 CC(NCc1cncc(c1)Cl)C(=O)N 2230a_200020614424_100000702099 [0,2,0,0,0,0|2,0,0]=4 7944 B14R1.5956 CC(NCc1cncc(c1)F)C(=O)N 2230a_100011962886_100000702099 [0,2,0,0,0,0|2,0,0]=4 7945 B14R1.5956 CC(NCc1cncc(c1)F)C(=O)N 34a_100011962886_100000702099 [0,2,0,0,0,0|2,0,0]=4 7946 B14R1.5956 CC(OCc1cc(ccn1)Cl)C(=O)N 34a_100000748867_100000702099 [0,2,0,0,0,0|2,0,0]=4 7947 B14R1.5956 CC(OCc1cc(ccn1)N)C(=O)N 34a_100000692640_100000702099 [0,2,0,0,0,0|2,0,0]=4 7948 B14R1.5956 CC(OCc1ccc[n+](c1)[O-])C(=O)N 34a_100000037817_100000702099 [0,2,0,0,0,0|2,0,0]=4 7949 B14R1.5956 CC(OCc1ccc[n+](c1)[O-])C(=O)N 7a_100000037817_100000702099 [0,2,0,0,0,0|2,0,0]=4 7950 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 34a_100000687537_100000702099 [0,2,0,0,0,0|1,0,0]=3 7951 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 7a_100000687537_100000702099 [0,2,0,0,0,0|1,0,0]=3 7952 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 34a_100000241301_100000702099 [0,2,0,0,0,0|1,0,0]=3 7953 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 7a_100000241301_100000702099 [0,2,0,0,0,0|1,0,0]=3 7954 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 34a_100000210976_100000702099 [0,2,0,0,0,0|1,0,0]=3 7955 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 7a_100000210976_100000702099 [0,2,0,0,0,0|1,0,0]=3 7956 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 34a_100011215336_100000702099 [0,2,0,0,0,0|1,0,0]=3 7957 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 7a_100011215336_100000702099 [0,2,0,0,0,0|1,0,0]=3 7958 B14R1.5956 CC(OCc1cccc(c1)N)C(=O)N 34a_100000211919_100000702099 [0,2,0,0,0,0|1,0,0]=3 7959 B14R1.5956 CC(OCc1cccc(n1)Br)C(=O)N 34a_100000694195_100000702099 [0,2,0,0,0,0|2,0,0]=4 7960 B14R1.5956 CC(OCc1cccc(n1)Cl)C(=O)N 34a_100011998359_100000702099 [0,2,0,0,0,0|2,0,0]=4 7961 B14R1.5956 CC(OCc1cccc(n1)F)C(=O)N 34a_100000086748_100000702099 [0,2,0,0,0,0|2,0,0]=4 7962 B14R1.5956 CC(OCc1ccnc(c1)Br)C(=O)N 34a_100009814636_100000702099 [0,2,0,0,0,0|2,0,0]=4 7963 B14R1.5956 CC(OCc1ccnc(c1)Br)C(=O)N 7a_100009814636_100000702099 [0,2,0,0,0,0|2,0,0]=4 7964 B14R1.5956 CC(OCc1ccnc(c1)Cl)C(=O)N 34a_100000748751_100000702099 [0,2,0,0,0,0|2,0,0]=4 7965 B14R1.5956 CC(OCc1ccnc(c1)F)C(=O)N 34a_100000082451_100000702099 [0,2,0,0,0,0|2,0,0]=4 7966 B14R1.5956 CC(OCc1cncc(c1)Br)C(=O)N 34a_100011259137_100000702099 [0,2,0,0,0,0|2,0,0]=4 7967 B14R1.5956 CC(OCc1cncc(c1)Br)C(=O)N 7a_100011259137_100000702099 [0,2,0,0,0,0|2,0,0]=4 7968 B14R1.5956 CC(OCc1cncc(c1)Cl)C(=O)N 34a_100000092867_100000702099 [0,2,0,0,0,0|2,0,0]=4 7969 B14R1.5956 CC(OCc1cncc(c1)Cl)C(=O)N 7a_100000092867_100000702099 [0,2,0,0,0,0|2,0,0]=4 7970 B14R1.5956 CC(OCc1cncc(c1)F)C(=O)N 34a_100011962875_100000702099 [0,2,0,0,0,0|2,0,0]=4 7971 B14R1.5956 CC(OCc1cncc(c1)F)C(=O)N 7a_100011962875_100000702099 [0,2,0,0,0,0|2,0,0]=4 7972 B14R1.5956 CC(OCc1cncc(c1)N)C(=O)N 34a_100000085308_100000702099 [0,2,0,0,0,0|2,0,0]=4 7973 B14R1.5956 CC(SCc1cc(ccn1)Br)C(=O)N 62a_100000702099_100010173614 [0,2,0,0,0,0|2,0,0]=4 7974 B14R1.5956 CC(SCc1cc(ccn1)Br)C(=O)N 62a_100010173614_100000702099 [0,2,0,0,0,0|2,0,0]=4 7975 B14R1.5956 CC(SCc1cc(ccn1)Cl)C(=O)N 62a_100000702099_100016988179 [0,2,0,0,0,0|2,0,0]=4 7976 B14R1.5956 CC(SCc1cc(ccn1)Cl)C(=O)N 62a_100016988179_100000702099 [0,2,0,0,0,0|2,0,0]=4 7977 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000211773_100000702099 [0,2,0,0,0,0|1,0,0]=3 7978 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000702099_100000211773 [0,2,0,0,0,0|1,0,0]=3 7979 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000187163_100000702099 [0,2,0,0,0,0|1,0,0]=3 7980 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000187163 [0,2,0,0,0,0|1,0,0]=3 7981 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000230114_100000702099 [0,2,0,0,0,0|1,0,0]=3 7982 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000702099_100000230114 [0,2,0,0,0,0|1,0,0]=3 7983 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [0,2,0,0,0,0|1,0,0]=3 7984 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [0,2,0,0,0,0|1,0,0]=3 7985 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100000702099_100011660834 [0,2,0,0,0,0|1,0,0]=3 7986 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702099 [0,2,0,0,0,0|1,0,0]=3 7987 B14R1.5956 CC(SCc1cccc(n1)Br)C(=O)N 62a_100000702099_100009889011 [0,2,0,0,0,0|2,0,0]=4 7988 B14R1.5956 CC(SCc1cccc(n1)Br)C(=O)N 62a_100009889011_100000702099 [0,2,0,0,0,0|2,0,0]=4 7989 B14R1.5956 CC(SCc1cccc(n1)Cl)C(=O)N 62a_100000086093_100000702099 [0,2,0,0,0,0|2,0,0]=4 7990 B14R1.5956 CC(SCc1cccc(n1)Cl)C(=O)N 62a_100000702099_100000086093 [0,2,0,0,0,0|2,0,0]=4 7991 B14R1.5956 CC(SCc1cccc(n1)F)C(=O)N 62a_100000702099_100009819644 [0,2,0,0,0,0|2,0,0]=4 7992 B14R1.5956 CC(SCc1cccc(n1)F)C(=O)N 62a_100009819644_100000702099 [0,2,0,0,0,0|2,0,0]=4 7993 B14R1.5956 CC(SCc1ccnc(c1)Br)C(=O)N 62a_100000702099_100010243470 [0,2,0,0,0,0|2,0,0]=4 7994 B14R1.5956 CC(SCc1ccnc(c1)Br)C(=O)N 62a_100010254460_100000702099 [0,2,0,0,0,0|2,0,0]=4 7995 B14R1.5956 CC(SCc1ccnc(c1)Cl)C(=O)N 62a_100000702099_100000764220 [0,2,0,0,0,0|2,0,0]=4 7996 B14R1.5956 CC(SCc1ccnc(c1)Cl)C(=O)N 62a_100000764220_100000702099 [0,2,0,0,0,0|2,0,0]=4 7997 B14R1.5956 CC(SCc1cncc(c1)Br)C(=O)N 62a_100000702099_100000738771 [0,2,0,0,0,0|2,0,0]=4 7998 B14R1.5956 CC(SCc1cncc(c1)Br)C(=O)N 62a_100000738771_100000702099 [0,2,0,0,0,0|2,0,0]=4 7999 B14R1.5956 CC(SCc1cncc(c1)Cl)C(=O)N 62a_100000702099_100016992070 [0,2,0,0,0,0|2,0,0]=4 8000 B14R1.5956 CC(SCc1cncc(c1)Cl)C(=O)N 62a_100016992070_100000702099 [0,2,0,0,0,0|2,0,0]=4 8001 B14R1.5956 CC(SCc1cncc(c1)F)C(=O)N 62a_100000702099_100000725299 [0,2,0,0,0,0|2,0,0]=4 8002 B14R1.5956 CC(SCc1cncc(c1)F)C(=O)N 62a_100000725299_100000702099 [0,2,0,0,0,0|2,0,0]=4 8003 B14R1.5956 C[C@@H](NCc1cc(ccn1)Br)C(=O)N 2230a_100000119354_100010173614 [0,2,0,0,0,0|2,0,0]=4 8004 B14R1.5956 C[C@@H](NCc1cc(ccn1)Br)C(=O)N 270004a_100000119354_100009818557 [0,2,0,0,0,0|2,0,0]=4 8005 B14R1.5956 C[C@@H](NCc1cc(ccn1)Br)C(=O)N 34a_100000119354_100010173614 [0,2,0,0,0,0|2,0,0]=4 8006 B14R1.5956 C[C@@H](NCc1cc(ccn1)Cl)C(=O)N 2230a_100000119354_100016988179 [0,2,0,0,0,0|2,0,0]=4 8007 B14R1.5956 C[C@@H](NCc1cc(ccn1)Cl)C(=O)N 270004a_100000119354_100011998288 [0,2,0,0,0,0|2,0,0]=4 8008 B14R1.5956 C[C@@H](NCc1cc(ccn1)Cl)C(=O)N 34a_100000119354_100016988179 [0,2,0,0,0,0|2,0,0]=4 8009 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000119354_100000698116 [0,2,0,0,0,0|1,0,0]=3 8010 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 270004a_100000119354_100000210085 [0,2,0,0,0,0|1,0,0]=3 8011 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 34a_100000119354_100000698116 [0,2,0,0,0,0|1,0,0]=3 8012 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000119354_100000181238 [0,2,0,0,0,0|1,0,0]=3 8013 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 270004a_100000119354_100000210801 [0,2,0,0,0,0|1,0,0]=3 8014 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 34a_100000119354_100000187163 [0,2,0,0,0,0|1,0,0]=3 8015 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 2230a_100000119354_100000230114 [0,2,0,0,0,0|1,0,0]=3 8016 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 270004a_100000119354_100000210812 [0,2,0,0,0,0|1,0,0]=3 8017 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 34a_100000119354_100000187166 [0,2,0,0,0,0|1,0,0]=3 8018 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 2230a_100000119354_100011218688 [0,2,0,0,0,0|1,0,0]=3 8019 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 270004a_100000119354_100000014684 [0,2,0,0,0,0|1,0,0]=3 8020 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 34a_100000119354_100011218688 [0,2,0,0,0,0|1,0,0]=3 8021 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 2230a_100000119354_100011660834 [0,2,0,0,0,0|1,0,0]=3 8022 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 270004a_100000119354_100000188321 [0,2,0,0,0,0|1,0,0]=3 8023 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 34a_100000119354_100011660834 [0,2,0,0,0,0|1,0,0]=3 8024 B14R1.5956 C[C@@H](NCc1cccc(n1)Br)C(=O)N 2230a_100000119354_100009889011 [0,2,0,0,0,0|2,0,0]=4 8025 B14R1.5956 C[C@@H](NCc1cccc(n1)Br)C(=O)N 270004a_100000119354_100000688028 [0,2,0,0,0,0|2,0,0]=4 8026 B14R1.5956 C[C@@H](NCc1cccc(n1)Br)C(=O)N 34a_100000119354_100009889011 [0,2,0,0,0,0|2,0,0]=4 8027 B14R1.5956 C[C@@H](NCc1cccc(n1)Cl)C(=O)N 2230a_100000119354_100000086093 [0,2,0,0,0,0|2,0,0]=4 8028 B14R1.5956 C[C@@H](NCc1cccc(n1)Cl)C(=O)N 270004a_100000119354_100011361687 [0,2,0,0,0,0|2,0,0]=4 8029 B14R1.5956 C[C@@H](NCc1cccc(n1)Cl)C(=O)N 34a_100000119354_100000086093 [0,2,0,0,0,0|2,0,0]=4 8030 B14R1.5956 C[C@@H](NCc1cccc(n1)F)C(=O)N 2230a_100000119354_100009819644 [0,2,0,0,0,0|2,0,0]=4 8031 B14R1.5956 C[C@@H](NCc1cccc(n1)F)C(=O)N 270004a_100000119354_100000050434 [0,2,0,0,0,0|2,0,0]=4 8032 B14R1.5956 C[C@@H](NCc1cccc(n1)F)C(=O)N 34a_100000119354_100009819644 [0,2,0,0,0,0|2,0,0]=4 8033 B14R1.5956 C[C@@H](NCc1ccnc(c1)Br)C(=O)N 2230a_100000119354_100010243470 [0,2,0,0,0,0|2,0,0]=4 8034 B14R1.5956 C[C@@H](NCc1ccnc(c1)Br)C(=O)N 270004a_100000119354_100009814634 [0,2,0,0,0,0|2,0,0]=4 8035 B14R1.5956 C[C@@H](NCc1ccnc(c1)Br)C(=O)N 34a_100000119354_100010243470 [0,2,0,0,0,0|2,0,0]=4 8036 B14R1.5956 C[C@@H](NCc1ccnc(c1)Cl)C(=O)N 2230a_100000119354_100000764220 [0,2,0,0,0,0|2,0,0]=4 8037 B14R1.5956 C[C@@H](NCc1ccnc(c1)Cl)C(=O)N 270004a_100000119354_100011290808 [0,2,0,0,0,0|2,0,0]=4 8038 B14R1.5956 C[C@@H](NCc1ccnc(c1)Cl)C(=O)N 34a_100000119354_100000764220 [0,2,0,0,0,0|2,0,0]=4 8039 B14R1.5956 C[C@@H](NCc1ccnc(c1)F)C(=O)N 270004a_100000119354_100000068331 [0,2,0,0,0,0|2,0,0]=4 8040 B14R1.5956 C[C@@H](NCc1cncc(c1)Br)C(=O)N 2230a_100000119354_100000738771 [0,2,0,0,0,0|2,0,0]=4 8041 B14R1.5956 C[C@@H](NCc1cncc(c1)Br)C(=O)N 270004a_100000119354_100000687066 [0,2,0,0,0,0|2,0,0]=4 8042 B14R1.5956 C[C@@H](NCc1cncc(c1)Br)C(=O)N 34a_100000119354_100000738771 [0,2,0,0,0,0|2,0,0]=4 8043 B14R1.5956 C[C@@H](NCc1cncc(c1)Cl)C(=O)N 2230a_100000119354_100016992070 [0,2,0,0,0,0|2,0,0]=4 8044 B14R1.5956 C[C@@H](NCc1cncc(c1)Cl)C(=O)N 270004a_100000119354_100000088910 [0,2,0,0,0,0|2,0,0]=4 8045 B14R1.5956 C[C@@H](NCc1cncc(c1)Cl)C(=O)N 34a_100000119354_100016992070 [0,2,0,0,0,0|2,0,0]=4 8046 B14R1.5956 C[C@@H](NCc1cncc(c1)F)C(=O)N 2230a_100000119354_100000725299 [0,2,0,0,0,0|2,0,0]=4 8047 B14R1.5956 C[C@@H](NCc1cncc(c1)F)C(=O)N 270004a_100000119354_100011361476 [0,2,0,0,0,0|2,0,0]=4 8048 B14R1.5956 C[C@@H](NCc1cncc(c1)F)C(=O)N 34a_100000119354_100000725299 [0,2,0,0,0,0|2,0,0]=4 8049 B14R1.5956 C[C@@H](NCc1cncc(c1)O)C(=O)N 270004a_100000119354_100012187055 [0,2,0,0,0,0|2,0,0]=4 8050 B14R1.5956 C[C@@H](OCc1cc(ccn1)Br)C(=O)N 34a_100000731257_100010173614 [0,2,0,0,0,0|2,0,0]=4 8051 B14R1.5956 C[C@@H](OCc1cc(ccn1)Br)C(=O)N 7a_100000731257_100010173614 [0,2,0,0,0,0|2,0,0]=4 8052 B14R1.5956 C[C@@H](OCc1cc(ccn1)Cl)C(=O)N 34a_100000731257_100016988179 [0,2,0,0,0,0|2,0,0]=4 8053 B14R1.5956 C[C@@H](OCc1cc(ccn1)Cl)C(=O)N 7a_100000731257_100016988179 [0,2,0,0,0,0|2,0,0]=4 8054 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 34a_100000731257_100000698116 [0,2,0,0,0,0|1,0,0]=3 8055 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 7a_100000731257_100000211773 [0,2,0,0,0,0|1,0,0]=3 8056 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 34a_100000731257_100000187163 [0,2,0,0,0,0|1,0,0]=3 8057 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 7a_100000731257_100000187163 [0,2,0,0,0,0|1,0,0]=3 8058 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 34a_100000731257_100000187166 [0,2,0,0,0,0|1,0,0]=3 8059 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 7a_100000731257_100000230114 [0,2,0,0,0,0|1,0,0]=3 8060 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 34a_100000731257_100011218688 [0,2,0,0,0,0|1,0,0]=3 8061 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 7a_100000731257_100011218688 [0,2,0,0,0,0|1,0,0]=3 8062 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 34a_100000731257_100011660834 [0,2,0,0,0,0|1,0,0]=3 8063 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 7a_100000731257_100000084143 [0,2,0,0,0,0|1,0,0]=3 8064 B14R1.5956 C[C@@H](OCc1cccc(n1)Br)C(=O)N 34a_100000731257_100009889011 [0,2,0,0,0,0|2,0,0]=4 8065 B14R1.5956 C[C@@H](OCc1cccc(n1)Br)C(=O)N 7a_100000731257_100009889011 [0,2,0,0,0,0|2,0,0]=4 8066 B14R1.5956 C[C@@H](OCc1cccc(n1)Cl)C(=O)N 34a_100000731257_100000086093 [0,2,0,0,0,0|2,0,0]=4 8067 B14R1.5956 C[C@@H](OCc1cccc(n1)Cl)C(=O)N 7a_100000731257_100000086093 [0,2,0,0,0,0|2,0,0]=4 8068 B14R1.5956 C[C@@H](OCc1cccc(n1)F)C(=O)N 34a_100000731257_100009819644 [0,2,0,0,0,0|2,0,0]=4 8069 B14R1.5956 C[C@@H](OCc1cccc(n1)F)C(=O)N 7a_100000731257_100009819644 [0,2,0,0,0,0|2,0,0]=4 8070 B14R1.5956 C[C@@H](OCc1ccnc(c1)Br)C(=O)N 34a_100000731257_100010243470 [0,2,0,0,0,0|2,0,0]=4 8071 B14R1.5956 C[C@@H](OCc1ccnc(c1)Br)C(=O)N 7a_100000731257_100010254460 [0,2,0,0,0,0|2,0,0]=4 8072 B14R1.5956 C[C@@H](OCc1ccnc(c1)Cl)C(=O)N 34a_100000731257_100000764220 [0,2,0,0,0,0|2,0,0]=4 8073 B14R1.5956 C[C@@H](OCc1ccnc(c1)Cl)C(=O)N 7a_100000731257_100000764220 [0,2,0,0,0,0|2,0,0]=4 8074 B14R1.5956 C[C@@H](OCc1cncc(c1)Br)C(=O)N 34a_100000731257_100000738771 [0,2,0,0,0,0|2,0,0]=4 8075 B14R1.5956 C[C@@H](OCc1cncc(c1)Br)C(=O)N 7a_100000731257_100000738771 [0,2,0,0,0,0|2,0,0]=4 8076 B14R1.5956 C[C@@H](OCc1cncc(c1)Cl)C(=O)N 34a_100000731257_100016992070 [0,2,0,0,0,0|2,0,0]=4 8077 B14R1.5956 C[C@@H](OCc1cncc(c1)Cl)C(=O)N 7a_100000731257_100016992070 [0,2,0,0,0,0|2,0,0]=4 8078 B14R1.5956 C[C@@H](OCc1cncc(c1)F)C(=O)N 34a_100000731257_100000725299 [0,2,0,0,0,0|2,0,0]=4 8079 B14R1.5956 C[C@@H](OCc1cncc(c1)F)C(=O)N 7a_100000731257_100000725299 [0,2,0,0,0,0|2,0,0]=4 8080 B14R1.5956 C[C@H](NCc1cc(ccn1)Br)C(=O)O 269956a_100000743915_100010173614 [0,2,0,0,0,0|2,0,0]=4 8081 B14R1.5956 C[C@H](NCc1cc(ccn1)Cl)C(=O)O 269956a_100000743915_100016988179 [0,2,0,0,0,0|2,0,0]=4 8082 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,2,0,0,0,0|1,0,0]=3 8083 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,2,0,0,0,0|1,0,0]=3 8084 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,2,0,0,0,0|1,0,0]=3 8085 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,2,0,0,0,0|1,0,0]=3 8086 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,2,0,0,0,0|1,0,0]=3 8087 B14R1.5956 C[C@H](NCc1cccc(n1)Br)C(=O)O 269956a_100000743915_100009889011 [0,2,0,0,0,0|2,0,0]=4 8088 B14R1.5956 C[C@H](NCc1cccc(n1)Cl)C(=O)O 269956a_100000743915_100000086093 [0,2,0,0,0,0|2,0,0]=4 8089 B14R1.5956 C[C@H](NCc1cccc(n1)F)C(=O)O 269956a_100000743915_100009819644 [0,2,0,0,0,0|2,0,0]=4 8090 B14R1.5956 C[C@H](NCc1ccnc(c1)Br)C(=O)O 269956a_100000743915_100010254460 [0,2,0,0,0,0|2,0,0]=4 8091 B14R1.5956 C[C@H](NCc1ccnc(c1)Cl)C(=O)O 269956a_100000743915_100000764220 [0,2,0,0,0,0|2,0,0]=4 8092 B14R1.5956 C[C@H](NCc1cncc(c1)Br)C(=O)O 269956a_100000743915_100000738771 [0,2,0,0,0,0|2,0,0]=4 8093 B14R1.5956 C[C@H](NCc1cncc(c1)Cl)C(=O)O 269956a_100000743915_100016992070 [0,2,0,0,0,0|2,0,0]=4 8094 B14R1.5956 C[C@H](NCc1cncc(c1)F)C(=O)O 269956a_100000743915_100000725299 [0,2,0,0,0,0|2,0,0]=4 8095 B14R1.5956 C[C@H](OCc1cc(ccn1)Br)C(=O)[O-] 7a_217856618621_100010173614 [0,2,0,0,0,0|2,0,0]=4 8096 B14R1.5956 C[C@H](OCc1cc(ccn1)Cl)C(=O)[O-] 7a_217856618621_100016988179 [0,2,0,0,0,0|2,0,0]=4 8097 B14R1.5956 C[C@H](OCc1cccc(c1)Br)C(=O)[O-] 7a_217856618621_100000211773 [0,2,0,0,0,0|1,0,0]=3 8098 B14R1.5956 C[C@H](OCc1cccc(c1)Cl)C(=O)[O-] 7a_217856618621_100000187163 [0,2,0,0,0,0|1,0,0]=3 8099 B14R1.5956 C[C@H](OCc1cccc(c1)F)C(=O)[O-] 7a_217856618621_100000230114 [0,2,0,0,0,0|1,0,0]=3 8100 B14R1.5956 C[C@H](OCc1cccc(c1)I)C(=O)[O-] 7a_217856618621_100011218688 [0,2,0,0,0,0|1,0,0]=3 8101 B14R1.5956 C[C@H](OCc1cccc(c1)O)C(=O)[O-] 7a_217856618621_100000084143 [0,2,0,0,0,0|1,0,0]=3 8102 B14R1.5956 C[C@H](OCc1cccc(n1)Br)C(=O)[O-] 7a_217856618621_100009889011 [0,2,0,0,0,0|2,0,0]=4 8103 B14R1.5956 C[C@H](OCc1cccc(n1)Cl)C(=O)[O-] 7a_217856618621_100000086093 [0,2,0,0,0,0|2,0,0]=4 8104 B14R1.5956 C[C@H](OCc1cccc(n1)F)C(=O)[O-] 7a_217856618621_100009819644 [0,2,0,0,0,0|2,0,0]=4 8105 B14R1.5956 C[C@H](OCc1ccnc(c1)Br)C(=O)[O-] 7a_217856618621_100010254460 [0,2,0,0,0,0|2,0,0]=4 8106 B14R1.5956 C[C@H](OCc1ccnc(c1)Cl)C(=O)[O-] 7a_217856618621_100000764220 [0,2,0,0,0,0|2,0,0]=4 8107 B14R1.5956 C[C@H](OCc1cncc(c1)Br)C(=O)[O-] 7a_217856618621_100000738771 [0,2,0,0,0,0|2,0,0]=4 8108 B14R1.5956 C[C@H](OCc1cncc(c1)Cl)C(=O)[O-] 7a_217856618621_100016992070 [0,2,0,0,0,0|2,0,0]=4 8109 B14R1.5956 C[C@H](OCc1cncc(c1)F)C(=O)[O-] 7a_217856618621_100000725299 [0,2,0,0,0,0|2,0,0]=4 8110 B14R1.5956 Cc1cc(ccn1)CNC(C)C(=O)N 34a_100011934566_100000702099 [0,2,0,0,0,0|2,0,0]=4 8111 B14R1.5956 Cc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_200020672517 [0,2,0,0,0,0|2,0,0]=4 8112 B14R1.5956 Cc1cc(ccn1)CN[C@H](C)C(=O)N 2230a_100000119354_200020672517 [0,2,0,0,0,0|2,0,0]=4 8113 B14R1.5956 Cc1cc(ccn1)CN[C@H](C)C(=O)N 270004a_100000119354_100011361630 [0,2,0,0,0,0|2,0,0]=4 8114 B14R1.5956 Cc1cc(ccn1)CN[C@H](C)C(=O)N 34a_100000119354_200020672517 [0,2,0,0,0,0|2,0,0]=4 8115 B14R1.5956 Cc1cc(ccn1)COC(C)C(=O)N 34a_100011998630_100000702099 [0,2,0,0,0,0|2,0,0]=4 8116 B14R1.5956 Cc1cc(ccn1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200020672517 [0,2,0,0,0,0|2,0,0]=4 8117 B14R1.5956 Cc1cc(ccn1)CO[C@H](C)C(=O)N 34a_100000731257_200020672517 [0,2,0,0,0,0|2,0,0]=4 8118 B14R1.5956 Cc1cc(ccn1)CO[C@H](C)C(=O)N 7a_100000731257_200020672517 [0,2,0,0,0,0|2,0,0]=4 8119 B14R1.5956 Cc1cc(ccn1)CSC(C)C(=O)N 62a_100000702099_200020672517 [0,2,0,0,0,0|2,0,0]=4 8120 B14R1.5956 Cc1cc(ccn1)CSC(C)C(=O)N 62a_200020672517_100000702099 [0,2,0,0,0,0|2,0,0]=4 8121 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 2230a_100000185548_100000702099 [0,2,0,0,0,0|1,0,0]=3 8122 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 34a_100000185548_100000702099 [0,2,0,0,0,0|1,0,0]=3 8123 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 2230a_100000185548_100009813875 [0,2,0,0,0,0|2,0,0]=4 8124 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 34a_100000185548_100009813875 [0,2,0,0,0,0|2,0,0]=4 8125 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000185548_100020610796 [0,2,0,0,0,0|2,0,0]=4 8126 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,2,0,0,0,0|1,0,0]=3 8127 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211840 [0,2,0,0,0,0|1,0,0]=3 8128 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211157 [0,2,0,0,0,0|1,0,0]=3 8129 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000211840 [0,2,0,0,0,0|1,0,0]=3 8130 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 34a_100011217746_100000702099 [0,2,0,0,0,0|1,0,0]=3 8131 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 7a_100011217746_100000702099 [0,2,0,0,0,0|1,0,0]=3 8132 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 34a_100011217746_100009813875 [0,2,0,0,0,0|2,0,0]=4 8133 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 7a_100011217746_100009813875 [0,2,0,0,0,0|2,0,0]=4 8134 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)[O-] 34a_100011217746_100020610796 [0,2,0,0,0,0|2,0,0]=4 8135 B14R1.5956 Cc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211840 [0,2,0,0,0,0|1,0,0]=3 8136 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000211840 [0,2,0,0,0,0|1,0,0]=3 8137 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211840 [0,2,0,0,0,0|1,0,0]=3 8138 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000211840_100000702099 [0,2,0,0,0,0|1,0,0]=3 8139 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211840 [0,2,0,0,0,0|1,0,0]=3 8140 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100000211840_100009813875 [0,2,0,0,0,0|2,0,0]=4 8141 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211840 [0,2,0,0,0,0|2,0,0]=4 8142 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000211840_100020610796 [0,2,0,0,0,0|2,0,0]=4 8143 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211840 [0,2,0,0,0,0|2,0,0]=4 8144 B14R1.5956 Cc1cccc(n1)CNC(C)C(=O)N 34a_100000701342_100000702099 [0,2,0,0,0,0|2,0,0]=4 8145 B14R1.5956 Cc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000757606 [0,2,0,0,0,0|2,0,0]=4 8146 B14R1.5956 Cc1cccc(n1)CN[C@H](C)C(=O)N 2230a_100000119354_100000757606 [0,2,0,0,0,0|2,0,0]=4 8147 B14R1.5956 Cc1cccc(n1)CN[C@H](C)C(=O)N 270004a_100000119354_100011215050 [0,2,0,0,0,0|2,0,0]=4 8148 B14R1.5956 Cc1cccc(n1)CN[C@H](C)C(=O)N 34a_100000119354_100000757606 [0,2,0,0,0,0|2,0,0]=4 8149 B14R1.5956 Cc1cccc(n1)COC(C)C(=O)N 34a_100000690600_100000702099 [0,2,0,0,0,0|2,0,0]=4 8150 B14R1.5956 Cc1cccc(n1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757606 [0,2,0,0,0,0|2,0,0]=4 8151 B14R1.5956 Cc1cccc(n1)CO[C@H](C)C(=O)N 34a_100000731257_100000757606 [0,2,0,0,0,0|2,0,0]=4 8152 B14R1.5956 Cc1cccc(n1)CO[C@H](C)C(=O)N 7a_100000731257_100000757606 [0,2,0,0,0,0|2,0,0]=4 8153 B14R1.5956 Cc1cccc(n1)CSC(C)C(=O)N 62a_100000702099_100000757606 [0,2,0,0,0,0|2,0,0]=4 8154 B14R1.5956 Cc1cccc(n1)CSC(C)C(=O)N 62a_100000757606_100000702099 [0,2,0,0,0,0|2,0,0]=4 8155 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000718516 [0,2,0,0,0,0|2,0,0]=4 8156 B14R1.5956 Cc1ccnc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000718516 [0,2,0,0,0,0|2,0,0]=4 8157 B14R1.5956 Cc1ccnc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100011361488 [0,2,0,0,0,0|2,0,0]=4 8158 B14R1.5956 Cc1ccnc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000718516 [0,2,0,0,0,0|2,0,0]=4 8159 B14R1.5956 Cc1ccnc(c1)COC(C)C(=O)N 34a_100011998357_100000702099 [0,2,0,0,0,0|2,0,0]=4 8160 B14R1.5956 Cc1ccnc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000718516 [0,2,0,0,0,0|2,0,0]=4 8161 B14R1.5956 Cc1ccnc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000718516 [0,2,0,0,0,0|2,0,0]=4 8162 B14R1.5956 Cc1ccnc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000718516 [0,2,0,0,0,0|2,0,0]=4 8163 B14R1.5956 Cc1ccnc(c1)CSC(C)C(=O)N 62a_100000702099_100000718516 [0,2,0,0,0,0|2,0,0]=4 8164 B14R1.5956 Cc1ccnc(c1)CSC(C)C(=O)N 62a_100000718516_100000702099 [0,2,0,0,0,0|2,0,0]=4 8165 B14R1.5956 Cc1cncc(c1)CNC(C)C(=O)N 2230a_100000692839_100000702099 [0,2,0,0,0,0|2,0,0]=4 8166 B14R1.5956 Cc1cncc(c1)CNC(C)C(=O)N 34a_100000692839_100000702099 [0,2,0,0,0,0|2,0,0]=4 8167 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016988603 [0,2,0,0,0,0|2,0,0]=4 8168 B14R1.5956 Cc1cncc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000716715 [0,2,0,0,0,0|2,0,0]=4 8169 B14R1.5956 Cc1cncc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100011998712 [0,2,0,0,0,0|2,0,0]=4 8170 B14R1.5956 Cc1cncc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000716715 [0,2,0,0,0,0|2,0,0]=4 8171 B14R1.5956 Cc1cncc(c1)COC(C)C(=O)N 34a_100011998709_100000702099 [0,2,0,0,0,0|2,0,0]=4 8172 B14R1.5956 Cc1cncc(c1)COC(C)C(=O)N 7a_100011998709_100000702099 [0,2,0,0,0,0|2,0,0]=4 8173 B14R1.5956 Cc1cncc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000716715 [0,2,0,0,0,0|2,0,0]=4 8174 B14R1.5956 Cc1cncc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000716715 [0,2,0,0,0,0|2,0,0]=4 8175 B14R1.5956 Cc1cncc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000716715 [0,2,0,0,0,0|2,0,0]=4 8176 B14R1.5956 Cc1cncc(c1)CSC(C)C(=O)N 62a_100000702099_100000716715 [0,2,0,0,0,0|2,0,0]=4 8177 B14R1.5956 Cc1cncc(c1)CSC(C)C(=O)N 62a_100000716715_100000702099 [0,2,0,0,0,0|2,0,0]=4 8178 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 2230a_100000174977_100009813875 [0,2,0,0,0,0|2,0,0]=4 8179 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 34a_100000174977_100009813875 [0,2,0,0,0,0|2,0,0]=4 8180 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 2230a_100000174878_100009813875 [0,2,0,0,0,0|2,0,0]=4 8181 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 34a_100000174878_100009813875 [0,2,0,0,0,0|2,0,0]=4 8182 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 2230a_100000174948_100009813875 [0,2,0,0,0,0|2,0,0]=4 8183 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 34a_100000174948_100009813875 [0,2,0,0,0,0|2,0,0]=4 8184 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 2230a_100000106179_100009813875 [0,2,0,0,0,0|2,0,0]=4 8185 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 34a_100000106179_100009813875 [0,2,0,0,0,0|2,0,0]=4 8186 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 2230a_100000743036_100009813875 [0,2,0,0,0,0|2,0,0]=4 8187 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 34a_100000743036_100009813875 [0,2,0,0,0,0|2,0,0]=4 8188 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 34a_100000687537_100009813875 [0,2,0,0,0,0|2,0,0]=4 8189 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 7a_100000687537_100009813875 [0,2,0,0,0,0|2,0,0]=4 8190 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 34a_100000241301_100009813875 [0,2,0,0,0,0|2,0,0]=4 8191 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 7a_100000241301_100009813875 [0,2,0,0,0,0|2,0,0]=4 8192 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 34a_100000210976_100009813875 [0,2,0,0,0,0|2,0,0]=4 8193 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 7a_100000210976_100009813875 [0,2,0,0,0,0|2,0,0]=4 8194 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 34a_100011215336_100009813875 [0,2,0,0,0,0|2,0,0]=4 8195 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 7a_100011215336_100009813875 [0,2,0,0,0,0|2,0,0]=4 8196 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)N 34a_100000211919_100009813875 [0,2,0,0,0,0|2,0,0]=4 8197 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100000211773_100009813875 [0,2,0,0,0,0|2,0,0]=4 8198 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100009813875_100000211773 [0,2,0,0,0,0|2,0,0]=4 8199 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100000187163_100009813875 [0,2,0,0,0,0|2,0,0]=4 8200 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100009813875_100000187163 [0,2,0,0,0,0|2,0,0]=4 8201 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100000230114_100009813875 [0,2,0,0,0,0|2,0,0]=4 8202 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100009813875_100000230114 [0,2,0,0,0,0|2,0,0]=4 8203 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [0,2,0,0,0,0|2,0,0]=4 8204 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [0,2,0,0,0,0|2,0,0]=4 8205 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100009813875_100011660834 [0,2,0,0,0,0|2,0,0]=4 8206 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813875 [0,2,0,0,0,0|2,0,0]=4 8207 B14R1.5956 Nc1cccc(c1)COC(F)C(=O)[O-] 34a_100000211919_100020610796 [0,2,0,0,0,0|2,0,0]=4 8208 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Br 34a_100000174977_100020610796 [0,2,0,0,0,0|2,0,0]=4 8209 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Cl 34a_100000174878_100020610796 [0,2,0,0,0,0|2,0,0]=4 8210 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)F 34a_100000174948_100020610796 [0,2,0,0,0,0|2,0,0]=4 8211 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)I 34a_100000106179_100020610796 [0,2,0,0,0,0|2,0,0]=4 8212 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)O 34a_100000743036_100020610796 [0,2,0,0,0,0|2,0,0]=4 8213 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Br 34a_100000687537_100020610796 [0,2,0,0,0,0|2,0,0]=4 8214 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Cl 34a_100000241301_100020610796 [0,2,0,0,0,0|2,0,0]=4 8215 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)F 34a_100000210976_100020610796 [0,2,0,0,0,0|2,0,0]=4 8216 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)I 34a_100011215336_100020610796 [0,2,0,0,0,0|2,0,0]=4 8217 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100000211773_100020610796 [0,2,0,0,0,0|2,0,0]=4 8218 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100020610796_100000211773 [0,2,0,0,0,0|2,0,0]=4 8219 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100000187163_100020610796 [0,2,0,0,0,0|2,0,0]=4 8220 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100020610796_100000187163 [0,2,0,0,0,0|2,0,0]=4 8221 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100000230114_100020610796 [0,2,0,0,0,0|2,0,0]=4 8222 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100020610796_100000230114 [0,2,0,0,0,0|2,0,0]=4 8223 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [0,2,0,0,0,0|2,0,0]=4 8224 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [0,2,0,0,0,0|2,0,0]=4 8225 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100011660834_100020610796 [0,2,0,0,0,0|2,0,0]=4 8226 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100020610796_100011660834 [0,2,0,0,0,0|2,0,0]=4 8227 B14R1.60 C=CCC(C)C(=O)Cc1ccccc1 1458a_100011216819_100015291786 [0,2,0,0,0,0|1,0,1]=4 8228 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 269982a_100000225617_200011218536 [0,2,0,0,0,0|2,0,0]=4 8229 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 2230a_200011351704_200015260668 [0,2,0,0,0,0|2,0,0]=4 8230 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 269982a_200011351704_200015260668 [0,2,0,0,0,0|2,0,0]=4 8231 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,2,0,0,0,0|1,0,1]=4 8232 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,2,0,0,0,0|1,0,1]=4 8233 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [0,2,0,0,0,0|1,0,1]=4 8234 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [0,2,0,0,0,0|1,0,1]=4 8235 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000184674 [0,2,0,0,0,0|1,0,1]=4 8236 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000038162 [0,2,0,0,0,0|1,0,1]=4 8237 B14R1.156 C/C=C/CN(C)CCc1ccccc1 269982a_100000207497_100102629194 [0,2,0,0,0,0|2,0,0]=4 8238 B14R1.156 C=CCCC(C)NCc1ccccc1 270004a_100015324214_100000762624 [0,2,0,0,0,0|2,0,0]=4 8239 B14R1.156 C=CCCC(C)OCc1ccccc1 34a_100000765329_100015291786 [0,2,0,0,0,0|2,0,0]=4 8240 B14R1.156 C=CCCC(C)OCc1ccccc1 7a_100000765329_100000211182 [0,2,0,0,0,0|2,0,0]=4 8241 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100000207497_100000754431 [0,2,0,0,0,0|2,0,0]=4 8242 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100020639649_100000765856 [0,2,0,0,0,0|2,0,0]=4 8243 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100000207497_100000754431 [0,2,0,0,0,0|2,0,0]=4 8244 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100020639649_100000765856 [0,2,0,0,0,0|2,0,0]=4 8245 B14R1.156 C=CCNC(C)CCc1ccccc1 2230a_100000210798_100000210623 [0,2,0,0,0,0|1,0,0]=3 8246 B14R1.156 C=CCNC(C)CCc1ccccc1 270004a_100020586998_100000210092 [0,2,0,0,0,0|1,0,0]=3 8247 B14R1.156 C=CCNC(C)CCc1ccccc1 34a_100000210798_100015514636 [0,2,0,0,0,0|1,0,0]=3 8248 B14R1.156 C=CCNC(C)COc1ccccc1 2230a_100000746794_100000210623 [0,2,0,0,0,0|2,0,0]=4 8249 B14R1.156 C=CCNC(C)COc1ccccc1 270004a_100020586998_100000150576 [0,2,0,0,0,0|2,0,0]=4 8250 B14R1.156 C=CCNC(C)COc1ccccc1 34a_100000746794_100015514636 [0,2,0,0,0,0|2,0,0]=4 8251 B14R1.156 C=CCNC(C)CSc1ccccc1 270004a_100020586998_100000150717 [0,2,0,0,0,0|2,0,0]=4 8252 B14R1.156 C=CCOC(C)COc1ccccc1 34a_100000210911_100015514636 [0,2,0,0,0,0|2,0,0]=4 8253 B14R1.156 C=CCOC(C)COc1ccccc1 7a_100000210911_100015514636 [0,2,0,0,0,0|2,0,0]=4 8254 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100015514636 [0,2,0,0,0,0|1,0,0]=3 8255 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100015514636 [0,2,0,0,0,0|1,0,0]=3 8256 B14R1.156 CC(C#Cc1ccccc1)OCC=O 34a_200000065209_200009817547 [0,2,0,0,0,0|0,0,2]=4 8257 B14R1.156 CC(C#Cc1ccccc1)OCC=O 7a_200000065209_200015260668 [0,2,0,0,0,0|0,0,2]=4 8258 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [0,2,0,0,0,0|1,0,1]=4 8259 B14R1.156 CC(CCc1ccccc1)NCC=O 2230a_100000210798_200015260668 [0,2,0,0,0,0|0,0,0]=2 8260 B14R1.156 CC(CCc1ccccc1)NCC=O 34a_100000210798_200009817547 [0,2,0,0,0,0|0,0,0]=2 8261 B14R1.156 CC(CCc1ccccc1)NCCF 2230a_100000210798_100011217306 [0,2,0,0,0,0|1,0,1]=4 8262 B14R1.156 CC(CCc1ccccc1)NCCF 34a_100000210798_100011217306 [0,2,0,0,0,0|1,0,1]=4 8263 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,2,0,0,0,0|0,0,2]=4 8264 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,2,0,0,0,0|0,0,2]=4 8265 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,2,0,0,0,0|0,0,2]=4 8266 B14R1.156 CC(COc1ccccc1)NCC=O 2230a_100000746794_200015260668 [0,2,0,0,0,0|1,0,0]=3 8267 B14R1.156 CC(COc1ccccc1)NCC=O 34a_100000746794_200009817547 [0,2,0,0,0,0|1,0,0]=3 8268 B14R1.156 CC(COc1ccccc1)OCC=O 34a_100000210911_200009817547 [0,2,0,0,0,0|1,0,0]=3 8269 B14R1.156 CC(COc1ccccc1)OCC=O 7a_100000210911_200015260668 [0,2,0,0,0,0|1,0,0]=3 8270 B14R1.156 CC=CCN(C)CCc1ccccc1 2230a_100000207497_100000070051 [0,2,0,0,0,0|2,0,0]=4 8271 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,2,0,0,0,0|1,0,1]=4 8272 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,2,0,0,0,0|1,0,1]=4 8273 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,2,0,0,0,0|1,0,1]=4 8274 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210303 [0,2,0,0,0,0|1,0,1]=4 8275 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210303 [0,2,0,0,0,0|1,0,1]=4 8276 B14R1.156 CNCCC(C)CCc1ccccc1 269862a_106832991636_200000075208 [0,2,0,0,0,0|1,0,1]=4 8277 B14R1.156 COCNC(C)CCc1ccccc1 2230a_100000210798_100000766300 [0,2,0,0,0,0|0,0,2]=4 8278 B14R1.156 CSCNC(C)CCc1ccccc1 2230a_100000210798_100011218213 [0,2,0,0,0,0|0,1,1]=4 8279 B14R1.156 CSCNC(C)CCc1ccccc1 34a_100000210798_100011218213 [0,2,0,0,0,0|0,1,1]=4 8280 B14R1.156 CSCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011218213 [0,2,0,0,0,0|0,1,1]=4 8281 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [0,2,0,0,0,0|1,0,1]=4 8282 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 34a_100009815974_200009817547 [0,2,0,0,0,0|0,0,0]=2 8283 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 7a_100009815974_200015260668 [0,2,0,0,0,0|0,0,0]=2 8284 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 34a_100009815974_100011217306 [0,2,0,0,0,0|1,0,1]=4 8285 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 7a_100009815974_100011217306 [0,2,0,0,0,0|1,0,1]=4 8286 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 34a_100009815974_100000211926 [0,2,0,0,0,0|0,0,2]=4 8287 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 7a_100009815974_100000211926 [0,2,0,0,0,0|0,0,2]=4 8288 B14R1.598 C/C=C/C(C)OCc1ccccc1Br 34a_200102604097_100000184730 [0,2,0,0,0,0|2,0,0]=4 8289 B14R1.598 C/C=C/C(C)OCc1ccccc1C 34a_200102604097_100000211839 [0,2,0,0,0,0|2,0,0]=4 8290 B14R1.598 C/C=C/C(C)OCc1ccccc1Cl 34a_200102604097_100000187162 [0,2,0,0,0,0|2,0,0]=4 8291 B14R1.598 C/C=C/C(C)OCc1ccccc1F 34a_200102604097_100000211605 [0,2,0,0,0,0|2,0,0]=4 8292 B14R1.598 C/C=C/C(C)OCc1ccccc1I 34a_200102604097_100011215278 [0,2,0,0,0,0|2,0,0]=4 8293 B14R1.598 C=CCN(C)CCc1ccccc1Br 2230a_100000225617_100012161201 [0,2,0,0,0,0|2,0,0]=4 8294 B14R1.598 C=CCN(C)CCc1ccccc1Br 269982a_100000225617_100012161201 [0,2,0,0,0,0|2,0,0]=4 8295 B14R1.598 C=CCN(C)CCc1ccccc1C 2230a_100000225617_100011713688 [0,2,0,0,0,0|2,0,0]=4 8296 B14R1.598 C=CCN(C)CCc1ccccc1C 269982a_100000225617_100011713688 [0,2,0,0,0,0|2,0,0]=4 8297 B14R1.598 C=CCN(C)CCc1ccccc1Cl 2230a_100000225617_100011713703 [0,2,0,0,0,0|2,0,0]=4 8298 B14R1.598 C=CCN(C)CCc1ccccc1Cl 269982a_100000225617_100011713703 [0,2,0,0,0,0|2,0,0]=4 8299 B14R1.598 C=CCN(C)CCc1ccccc1Cl 270004a_100000225617_200011713468 [0,2,0,0,0,0|2,0,0]=4 8300 B14R1.598 C=CCN(C)CCc1ccccc1F 2230a_100000225617_100011713696 [0,2,0,0,0,0|2,0,0]=4 8301 B14R1.598 C=CCN(C)CCc1ccccc1F 2230a_100000232559_100000210623 [0,2,0,0,0,0|2,0,0]=4 8302 B14R1.598 C=CCN(C)CCc1ccccc1F 269982a_100000225617_100011713696 [0,2,0,0,0,0|2,0,0]=4 8303 B14R1.598 C=CCN(C)CCc1ccccc1F 269982a_100000232559_100000210623 [0,2,0,0,0,0|2,0,0]=4 8304 B14R1.598 C=CCN(C)CCc1ccccc1F 34a_100000232559_100015514636 [0,2,0,0,0,0|2,0,0]=4 8305 B14R1.598 C=CCN(C)CCc1ccccc1O 269982a_100000225617_100000722297 [0,2,0,0,0,0|2,0,0]=4 8306 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Br 34a_100000731007_100000184730 [0,2,0,0,0,0|2,0,0]=4 8307 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Br 7a_100000731007_100000184730 [0,2,0,0,0,0|2,0,0]=4 8308 B14R1.598 C=CC[C@@H](C)OCc1ccccc1C 34a_100000731007_100000211839 [0,2,0,0,0,0|2,0,0]=4 8309 B14R1.598 C=CC[C@@H](C)OCc1ccccc1C 7a_100000731007_100000211839 [0,2,0,0,0,0|2,0,0]=4 8310 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Cl 34a_100000731007_100000187162 [0,2,0,0,0,0|2,0,0]=4 8311 B14R1.598 C=CC[C@@H](C)OCc1ccccc1Cl 7a_100000731007_100000187162 [0,2,0,0,0,0|2,0,0]=4 8312 B14R1.598 C=CC[C@@H](C)OCc1ccccc1F 34a_100000731007_100000211605 [0,2,0,0,0,0|2,0,0]=4 8313 B14R1.598 C=CC[C@@H](C)OCc1ccccc1F 7a_100000731007_100000211605 [0,2,0,0,0,0|2,0,0]=4 8314 B14R1.598 C=CC[C@@H](C)OCc1ccccc1I 34a_100000731007_100011215278 [0,2,0,0,0,0|2,0,0]=4 8315 B14R1.598 C=CC[C@@H](C)OCc1ccccc1I 7a_100000731007_100011215278 [0,2,0,0,0,0|2,0,0]=4 8316 B14R1.598 CN(CC=O)CCc1ccccc1F 2230a_100000232559_200015260668 [0,2,0,0,0,0|1,0,0]=3 8317 B14R1.598 CN(CC=O)CCc1ccccc1F 269982a_100000232559_200015260668 [0,2,0,0,0,0|1,0,0]=3 8318 B14R1.598 CN(CC=O)CCc1ccccc1F 34a_100000232559_200009817547 [0,2,0,0,0,0|1,0,0]=3 8319 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000207497_100000748629 [0,2,0,0,0,0|2,0,0]=4 8320 B14R1.818 C=C(C)CN(C)CCc1ccccc1 2230a_100000225649_100000765856 [0,2,0,0,0,0|2,0,0]=4 8321 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000207497_100000748629 [0,2,0,0,0,0|2,0,0]=4 8322 B14R1.818 C=C(C)CN(C)CCc1ccccc1 269982a_100000225649_100000765856 [0,2,0,0,0,0|2,0,0]=4 8323 B14R1.818 C=C(F)CN(C)CCc1ccccc1 2230a_100000207497_100009893438 [0,2,0,0,0,0|2,0,0]=4 8324 B14R1.818 C=C(F)CN(C)CCc1ccccc1 269982a_100000207497_100009893438 [0,2,0,0,0,0|2,0,0]=4 8325 B14R1.818 CC(=CC(C)OCc1ccccc1)C 34a_100000717055_100015291786 [0,2,0,0,0,0|2,0,0]=4 8326 B14R1.818 CC(=O)CC(=O)CCc1ccccc1 1458a_100000070787_100012361361 [0,2,0,0,0,0|1,0,1]=4 8327 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,2,0,0,0,0|0,0,0]=2 8328 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,2,0,0,0,0|0,0,0]=2 8329 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,2,0,0,0,0|0,0,0]=2 8330 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,2,0,0,0,0|0,0,0]=2 8331 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,2,0,0,0,0|1,0,0]=3 8332 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,2,0,0,0,0|1,0,0]=3 8333 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,2,0,0,0,0|1,0,0]=3 8334 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,2,0,0,0,0|1,0,0]=3 8335 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,2,0,0,0,0|1,0,0]=3 8336 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,2,0,0,0,0|1,0,0]=3 8337 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100000721315_100009818208 [0,2,0,0,0,0|2,0,0]=4 8338 B14R1.818 CC(=O)OC(C)SCc1ccccn1 62a_100009818208_100000721315 [0,2,0,0,0,0|2,0,0]=4 8339 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100000741622_100009818208 [0,2,0,0,0,0|2,0,0]=4 8340 B14R1.818 CC(=O)OC(C)SCc1cccnc1 62a_100009818208_100000741622 [0,2,0,0,0,0|2,0,0]=4 8341 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100009818208_100015193705 [0,2,0,0,0,0|2,0,0]=4 8342 B14R1.818 CC(=O)OC(C)SCc1ccncc1 62a_100015193705_100009818208 [0,2,0,0,0,0|2,0,0]=4 8343 B14R1.818 CC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000210206 [0,2,0,0,0,0|1,0,1]=4 8344 B14R1.818 CC(C)NC(C)CCc1ccccc1 34a_100000210798_100000210206 [0,2,0,0,0,0|1,0,1]=4 8345 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100000210206 [0,2,0,0,0,0|1,0,1]=4 8346 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000210206 [0,2,0,0,0,0|1,0,1]=4 8347 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [0,2,0,0,0,0|1,0,0]=3 8348 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [0,2,0,0,0,0|1,0,0]=3 8349 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [0,2,0,0,0,0|1,0,0]=3 8350 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,2,0,0,0,0|1,0,0]=3 8351 B14R1.818 CN(CCc1ccccc1)CC(=O)[O-] 269982a_100000207497_100020667443 [0,2,0,0,0,0|1,0,0]=3 8352 B14R1.818 CN(CCc1ccccc1)C[N+](=O)[O-] 269982a_100000207497_100000761209 [0,2,0,0,0,0|1,0,1]=4 8353 B14R1.818 CN(CCc1ccccn1)CC(=O)N 2230a_100000737206_100000747473 [0,2,0,0,0,0|2,0,0]=4 8354 B14R1.818 CN(CCc1ccccn1)CC(=O)N 2230a_100000739694_100015183660 [0,2,0,0,0,0|2,0,0]=4 8355 B14R1.818 CN(CCc1ccccn1)CC(=O)N 269982a_100000737206_100000187820 [0,2,0,0,0,0|2,0,0]=4 8356 B14R1.818 CN(CCc1ccccn1)CC(=O)O 269956a_100000746989_100015183660 [0,2,0,0,0,0|2,0,0]=4 8357 B14R1.818 CN(CCc1ccccn1)CC(=O)[O-] 269982a_100000737206_100020667443 [0,2,0,0,0,0|2,0,0]=4 8358 B14R1.818 CN(CCc1cccnc1)CC(=O)N 2230a_100000739694_200011713674 [0,2,0,0,0,0|2,0,0]=4 8359 B14R1.818 CN(CCc1cccnc1)CC(=O)N 2230a_100000763209_100000747473 [0,2,0,0,0,0|2,0,0]=4 8360 B14R1.818 CN(CCc1cccnc1)CC(=O)N 269982a_100000763209_100000187820 [0,2,0,0,0,0|2,0,0]=4 8361 B14R1.818 CN(CCc1cccnc1)CC(=O)O 269956a_100000746989_200011713674 [0,2,0,0,0,0|2,0,0]=4 8362 B14R1.818 CN(CCc1cccnc1)CC(=O)[O-] 269982a_100000763209_100020667443 [0,2,0,0,0,0|2,0,0]=4 8363 B14R1.818 CN(CCc1ccncc1)CC(=O)N 2230a_100000739694_100000723409 [0,2,0,0,0,0|2,0,0]=4 8364 B14R1.818 CN(CCc1ccncc1)CC(=O)N 2230a_100000742850_100000747473 [0,2,0,0,0,0|2,0,0]=4 8365 B14R1.818 CN(CCc1ccncc1)CC(=O)N 269982a_100000742850_100000187820 [0,2,0,0,0,0|2,0,0]=4 8366 B14R1.818 CN(CCc1ccncc1)CC(=O)O 269956a_100000746989_100000723409 [0,2,0,0,0,0|2,0,0]=4 8367 B14R1.818 CN(CCc1ccncc1)CC(=O)[O-] 269982a_100000742850_100020667443 [0,2,0,0,0,0|2,0,0]=4 8368 B14R1.818 CN(CSc1ccccc1)CC(=O)N 2230a_100000739694_100011218342 [0,2,0,0,0,0|2,0,0]=4 8369 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,2,0,0,0,0|2,0,0]=4 8370 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000187820 [0,2,0,0,0,0|1,0,1]=4 8371 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100134613110_100000765856 [0,2,0,0,0,0|1,0,1]=4 8372 B14R1.818 O=C([O-])CC(=O)CCc1ccccc1 1458a_100000185753_100020667443 [0,2,0,0,0,0|1,0,1]=4 8373 B14R1.979 C=CC(CCC)OCc1ccccc1 34a_100011216692_100015291786 [0,2,0,0,0,0|2,0,0]=4 8374 B14R1.979 C=CC(CCC)OCc1ccccc1 7a_100011216692_100000211182 [0,2,0,0,0,0|2,0,0]=4 8375 B14R1.979 C=CCC(C=C)OCc1ccccc1 34a_100000038011_100015291786 [0,2,0,0,0,0|2,0,0]=4 8376 B14R1.979 C=CCC(C=C)OCc1ccccc1 7a_100000038011_100000211182 [0,2,0,0,0,0|2,0,0]=4 8377 B14R1.979 C=CCN(CC)CCc1ccccc1 2230a_100000741020_100000210623 [0,2,0,0,0,0|2,0,0]=4 8378 B14R1.979 C=CCN(CC)CCc1ccccc1 269982a_100000741020_100000210623 [0,2,0,0,0,0|2,0,0]=4 8379 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 207a_100020615467_100015611070 [0,2,0,0,0,0|2,0,0]=4 8380 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 2230a_100020615467_100015291786 [0,2,0,0,0,0|2,0,0]=4 8381 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 270004a_100020615467_100015611070 [0,2,0,0,0,0|2,0,0]=4 8382 B14R1.979 CCCC(CCc1ccccc1)NC 270004a_106832991635_100000759375 [0,2,0,0,0,0|1,0,1]=4 8383 B14R1.979 CCN(CC=O)CCc1ccccc1 2230a_100000741020_200015260668 [0,2,0,0,0,0|1,0,0]=3 8384 B14R1.979 CCN(CC=O)CCc1ccccc1 269982a_100000741020_200015260668 [0,2,0,0,0,0|1,0,0]=3 8385 B14R1.979 CCN(CC=O)CCc1ccccn1 2230a_100000227201_200015260668 [0,2,0,0,0,0|2,0,0]=4 8386 B14R1.979 CCN(CC=O)CCc1ccccn1 269982a_100000227201_200015260668 [0,2,0,0,0,0|2,0,0]=4 8387 B14R1.979 CCNC(CC)CCc1ccccc1 270004a_100015525214_100011279265 [0,2,0,0,0,0|1,0,1]=4 8388 B14R1.6829 C=CCC(C)(C)OCc1ccccc1 7a_100011995686_100000211182 [0,2,0,0,0,0|2,0,0]=4 8389 B14R1.6829 CC(C)(CCc1ccccc1)OCF 7a_100000750528_100015361967 [0,2,0,0,0,0|1,0,1]=4 8390 B14R1.6829 CCOC(C)(C)CCc1ccccc1 7a_100000750528_100000210202 [0,2,0,0,0,0|1,0,1]=4 8391 B14R1.296 C=CC(C)(C)C(=O)Cc1ccccc1 1458a_100012027013_100015291786 [0,2,0,0,0,0|1,0,1]=4 8392 B14R1.425 CC(=O)C(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000179758 [0,2,0,0,0,0|1,0,1]=4 8393 B14R1.425 CC(=O)C(C)C(=O)Cc1ccccn1 1458a_100000233486_100000179758 [0,2,0,0,0,0|1,0,1]=4 8394 B14R1.425 CC(=O)C(C)C(=O)Cc1cccnc1 1458a_100000737805_100000179758 [0,2,0,0,0,0|1,0,1]=4 8395 B14R1.425 CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000070787_100000183986 [0,2,0,0,0,0|1,0,1]=4 8396 B14R1.425 CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100012277477_200000210301 [0,2,0,0,0,0|1,0,1]=4 8397 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 1458a_100000757622_200000210301 [0,2,0,0,0,0|1,0,0]=3 8398 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100009814033 [0,2,0,0,0,0|1,0,0]=3 8399 B14R1.425 CC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100009814033 [0,2,0,0,0,0|1,0,0]=3 8400 B14R1.425 CC(=O)C(C)N(C)Cc1ccccn1 2230a_100000207498_100009814033 [0,2,0,0,0,0|2,0,0]=4 8401 B14R1.425 CC(=O)C(C)N(C)Cc1ccccn1 269982a_100000207498_100009814033 [0,2,0,0,0,0|2,0,0]=4 8402 B14R1.425 CC(=O)C(C)N(C)Cc1cccnc1 2230a_100000184577_100009814033 [0,2,0,0,0,0|2,0,0]=4 8403 B14R1.425 CC(=O)C(C)N(C)Cc1cccnc1 269982a_100000184577_100009814033 [0,2,0,0,0,0|2,0,0]=4 8404 B14R1.425 CC(=O)C(C)N(C)Cc1ccncc1 2230a_100000187231_100009814033 [0,2,0,0,0,0|2,0,0]=4 8405 B14R1.425 CC(=O)C(C)N(C)Cc1ccncc1 269982a_100000187231_100009814033 [0,2,0,0,0,0|2,0,0]=4 8406 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 11a_200011351704_100015343762 [0,2,0,0,0,0|2,0,0]=4 8407 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 1626a_200011351704_100015343762 [0,2,0,0,0,0|2,0,0]=4 8408 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 240690a_200011351704_100015343762 [0,2,0,0,0,0|2,0,0]=4 8409 B14R1.425 CC(=O)N(C)C(C)Cc1ccccn1 527a_200011351704_100103153847 [0,2,0,0,0,0|2,0,0]=4 8410 B14R1.425 CC(C(=O)N)C(=O)C[n+]1ccccc1 1458a_200000086051_100000702099 [0,2,0,0,0,0|1,0,1]=4 8411 B14R1.425 CC(C(=O)N)C(=O)Cc1ccccn1 1458a_100000233486_100000702099 [0,2,0,0,0,0|1,0,1]=4 8412 B14R1.425 CC(C(=O)N)C(=O)Cc1cccnc1 1458a_100000737805_100000702099 [0,2,0,0,0,0|1,0,1]=4 8413 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 2230a_100000186898_100000702099 [0,2,0,0,0,0|1,0,0]=3 8414 B14R1.425 CC(C(=O)N)N(C)Cc1ccccc1 269982a_100000186898_100000184083 [0,2,0,0,0,0|1,0,0]=3 8415 B14R1.425 CC(C(=O)N)N(C)Cc1ccccn1 2230a_100000207498_100000702099 [0,2,0,0,0,0|2,0,0]=4 8416 B14R1.425 CC(C(=O)N)N(C)Cc1ccccn1 269982a_100000207498_100000184083 [0,2,0,0,0,0|2,0,0]=4 8417 B14R1.425 CC(C(=O)N)N(C)Cc1cccnc1 2230a_100000184577_100000702099 [0,2,0,0,0,0|2,0,0]=4 8418 B14R1.425 CC(C(=O)N)N(C)Cc1cccnc1 269982a_100000184577_100000184083 [0,2,0,0,0,0|2,0,0]=4 8419 B14R1.425 CC(C(=O)N)N(C)Cc1ccncc1 2230a_100000187231_100000702099 [0,2,0,0,0,0|2,0,0]=4 8420 B14R1.425 CC(C(=O)N)N(C)Cc1ccncc1 269982a_100000187231_100000184083 [0,2,0,0,0,0|2,0,0]=4 8421 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,2,0,0,0,0|1,0,0]=3 8422 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,2,0,0,0,0|1,0,0]=3 8423 B14R1.425 CC(C(=O)O)N(C)Cc1ccccn1 269956a_100000749554_100000721315 [0,2,0,0,0,0|2,0,0]=4 8424 B14R1.425 CC(C(=O)O)N(C)Cc1cccnc1 269956a_100000749554_100000733263 [0,2,0,0,0,0|2,0,0]=4 8425 B14R1.425 CC(C(=O)O)N(C)Cc1ccncc1 269956a_100000749554_100015193705 [0,2,0,0,0,0|2,0,0]=4 8426 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,2,0,0,0,0|1,0,0]=3 8427 B14R1.425 CC(C(=O)[13CH3])C(=O)Nc1ccccc1 1458a_100012277477_200025704644 [0,2,0,0,0,0|1,0,1]=4 8428 B14R1.425 CC(C(=O)[13CH3])N(C)Cc1ccccc1 1458a_100000757622_200025704644 [0,2,0,0,0,0|1,0,0]=3 8429 B14R1.425 CC(Cc1ccccc1)C(C)N(C)C 270004a_100102631434_200011390852 [0,2,0,0,0,0|2,0,0]=4 8430 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 2230a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 8431 B14R1.425 CN(Cc1ccccc1)C(F)C(=O)N 269982a_100000186898_100009813875 [0,2,0,0,0,0|2,0,0]=4 8432 B14R1.532 CN(Cc1ccccc1)C(C=O)C=O 2230a_100000186898_100000736813 [0,2,0,0,0,0|1,0,1]=4 8433 B14R1.532 CO[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200000210301 [0,2,0,0,0,0|1,0,1]=4 8434 B14R1.532 [13CH3]O[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200025704644 [0,2,0,0,0,0|1,0,1]=4 8435 B14R1.1007 C=CC(C)C(=O)Cc1ccccc1Br 1458a_100011216780_100000184730 [0,2,0,0,0,0|1,0,1]=4 8436 B14R1.1007 C=CC(C)C(=O)Cc1ccccc1C 1458a_100011216780_100000211839 [0,2,0,0,0,0|1,0,1]=4 8437 B14R1.1007 C=CC(C)C(=O)Cc1ccccc1Cl 1458a_100011216780_100000187162 [0,2,0,0,0,0|1,0,1]=4 8438 B14R1.1007 C=CC(C)C(=O)Cc1ccccc1F 1458a_100011216780_100000187165 [0,2,0,0,0,0|1,0,1]=4 8439 B14R1.1007 C=CC(C)C(=O)Cc1ccccc1I 1458a_100011216780_100011216222 [0,2,0,0,0,0|1,0,1]=4 8440 B14R1.1007 C=CC(C)N(C)Cc1ccccc1Br 269982a_100000184654_100011215867 [0,2,0,0,0,0|2,0,0]=4 8441 B14R1.1007 C=CC(C)N(C)Cc1ccccc1C 269982a_100000184421_100011215867 [0,2,0,0,0,0|2,0,0]=4 8442 B14R1.1007 C=CC(C)N(C)Cc1ccccc1Cl 269982a_100000184507_100011215867 [0,2,0,0,0,0|2,0,0]=4 8443 B14R1.1007 C=CC(C)N(C)Cc1ccccc1F 269982a_100000742528_100011215867 [0,2,0,0,0,0|2,0,0]=4 8444 B14R1.1007 C=CC(C)N(C)Cc1ccccc1O 269982a_100015189988_100011215867 [0,2,0,0,0,0|2,0,0]=4 8445 B14R1.1031 C=CC(C)N(CC)Cc1ccccc1 269982a_100000186914_100011215867 [0,2,0,0,0,0|2,0,0]=4 8446 B14R1.298 C=CC(C)(C)OCc1ccccc1Br 34a_100011215311_100000184730 [0,2,0,0,0,0|2,0,0]=4 8447 B14R1.298 C=CC(C)(C)OCc1ccccc1Br 7a_100011215311_100000184730 [0,2,0,0,0,0|2,0,0]=4 8448 B14R1.298 C=CC(C)(C)OCc1ccccc1C 34a_100011215311_100000211839 [0,2,0,0,0,0|2,0,0]=4 8449 B14R1.298 C=CC(C)(C)OCc1ccccc1C 7a_100011215311_100000211839 [0,2,0,0,0,0|2,0,0]=4 8450 B14R1.298 C=CC(C)(C)OCc1ccccc1Cl 34a_100011215311_100000187162 [0,2,0,0,0,0|2,0,0]=4 8451 B14R1.298 C=CC(C)(C)OCc1ccccc1Cl 7a_100011215311_100000187162 [0,2,0,0,0,0|2,0,0]=4 8452 B14R1.298 C=CC(C)(C)OCc1ccccc1F 34a_100011215311_100000211605 [0,2,0,0,0,0|2,0,0]=4 8453 B14R1.298 C=CC(C)(C)OCc1ccccc1F 7a_100011215311_100000211605 [0,2,0,0,0,0|2,0,0]=4 8454 B14R1.298 C=CC(C)(C)OCc1ccccc1I 34a_100011215311_100011215278 [0,2,0,0,0,0|2,0,0]=4 8455 B14R1.298 C=CC(C)(C)OCc1ccccc1I 7a_100011215311_100011215278 [0,2,0,0,0,0|2,0,0]=4 8456 B14R1.2928 C#CC(C)(C=C)OCc1ccccc1 34a_100000033310_100015291786 [0,2,0,0,0,0|2,0,0]=4 8457 B14R1.2928 C#CC(C)(C=C)OCc1ccccc1 7a_100000033310_100000211182 [0,2,0,0,0,0|2,0,0]=4 8458 B14R1.2928 CCC(C)(CCc1ccccc1)OC 7a_100011219756_200000210301 [0,2,0,0,0,0|1,0,1]=4 8459 B14R1.2928 CCC(C)(CCc1ccccc1)O[13CH3] 7a_100011219756_200025704644 [0,2,0,0,0,0|1,0,1]=4 8460 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 34a_100000747739_100015291786 [0,2,0,0,0,0|1,0,0]=3 8461 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000210790_100000075568 [0,2,0,0,0,0|1,0,0]=3 8462 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000747739_100000211182 [0,2,0,0,0,0|1,0,0]=3 8463 B14R1.6395 CC(=O)C(C)(C)OCc1ccccn1 34a_100000747739_100000721315 [0,2,0,0,0,0|2,0,0]=4 8464 B14R1.6395 CC(=O)C(C)(C)OCc1ccccn1 7a_100000747739_100000721315 [0,2,0,0,0,0|2,0,0]=4 8465 B14R1.6395 CC(=O)C(C)(C)OCc1cccnc1 34a_100000747739_100000733263 [0,2,0,0,0,0|2,0,0]=4 8466 B14R1.6395 CC(=O)C(C)(C)OCc1cccnc1 7a_100000747739_100000741622 [0,2,0,0,0,0|2,0,0]=4 8467 B14R1.6395 CC(=O)C(C)(C)OCc1ccncc1 7a_100000747739_100015193705 [0,2,0,0,0,0|2,0,0]=4 8468 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_200000210301 [0,2,0,0,0,0|1,0,0]=3 8469 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000075568_100015291786 [0,2,0,0,0,0|1,0,0]=3 8470 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000211182_100000075568 [0,2,0,0,0,0|1,0,0]=3 8471 B14R1.6395 CC(=O)C(C)(C)SCc1ccccn1 62a_100000075568_100000721315 [0,2,0,0,0,0|2,0,0]=4 8472 B14R1.6395 CC(=O)C(C)(C)SCc1ccccn1 62a_100000721315_100000075568 [0,2,0,0,0,0|2,0,0]=4 8473 B14R1.6395 CC(=O)C(C)(C)SCc1cccnc1 62a_100000075568_100000741622 [0,2,0,0,0,0|2,0,0]=4 8474 B14R1.6395 CC(=O)C(C)(C)SCc1cccnc1 62a_100000741622_100000075568 [0,2,0,0,0,0|2,0,0]=4 8475 B14R1.6395 CC(=O)C(C)(C)SCc1ccncc1 62a_100000075568_100015193705 [0,2,0,0,0,0|2,0,0]=4 8476 B14R1.6395 CC(=O)C(C)(C)SCc1ccncc1 62a_100015193705_100000075568 [0,2,0,0,0,0|2,0,0]=4 8477 B14R1.6395 CC(C)(CNc1ccccc1)C(=O)N 34a_100000106764_200009895572 [0,2,0,0,0,0|1,0,0]=3 8478 B14R1.6395 CC(C)(COc1ccccc1)C(=O)N 34a_100000210340_200009895572 [0,2,0,0,0,0|1,0,0]=3 8479 B14R1.6395 CC(C)(COc1cccnc1)C(=O)N 34a_100000210849_200009895572 [0,2,0,0,0,0|2,0,0]=4 8480 B14R1.6395 CC(C)(COc1ccncc1)C(=O)N 34a_100000212176_200009895572 [0,2,0,0,0,0|2,0,0]=4 8481 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,2,0,0,0,0|1,0,0]=3 8482 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,2,0,0,0,0|1,0,0]=3 8483 B14R1.6395 CC(C)(CSc1ccccn1)C(=O)N 62a_100011216584_200009895572 [0,2,0,0,0,0|2,0,0]=4 8484 B14R1.6395 CC(C)(CSc1ccccn1)C(=O)N 62a_200009895572_100011216584 [0,2,0,0,0,0|2,0,0]=4 8485 B14R1.6395 CC(C)(CSc1cccnc1)C(=O)N 62a_100000210063_200009895572 [0,2,0,0,0,0|2,0,0]=4 8486 B14R1.6395 CC(C)(CSc1cccnc1)C(=O)N 62a_200009895572_100000210063 [0,2,0,0,0,0|2,0,0]=4 8487 B14R1.6395 CC(C)(CSc1ccncc1)C(=O)N 62a_100000728582_200009895572 [0,2,0,0,0,0|2,0,0]=4 8488 B14R1.6395 CC(C)(CSc1ccncc1)C(=O)N 62a_200009895572_100000728582 [0,2,0,0,0,0|2,0,0]=4 8489 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100000743658_100015291786 [0,2,0,0,0,0|1,0,0]=3 8490 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702505 [0,2,0,0,0,0|1,0,0]=3 8491 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100000743658_100015291786 [0,2,0,0,0,0|1,0,0]=3 8492 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100015324214_100000702505 [0,2,0,0,0,0|1,0,0]=3 8493 B14R1.6395 CC(C)(NCc1ccccn1)C(=O)N 2230a_100000743658_100000721315 [0,2,0,0,0,0|2,0,0]=4 8494 B14R1.6395 CC(C)(NCc1ccccn1)C(=O)N 34a_100000743658_100000721315 [0,2,0,0,0,0|2,0,0]=4 8495 B14R1.6395 CC(C)(NCc1cccnc1)C(=O)N 2230a_100000743658_100000741622 [0,2,0,0,0,0|2,0,0]=4 8496 B14R1.6395 CC(C)(NCc1cccnc1)C(=O)N 34a_100000743658_100000733263 [0,2,0,0,0,0|2,0,0]=4 8497 B14R1.6395 CC(C)(NCc1ccncc1)C(=O)N 2230a_100000743658_100015193705 [0,2,0,0,0,0|2,0,0]=4 8498 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100000210790_100000702505 [0,2,0,0,0,0|1,0,0]=3 8499 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100011626353_100015291786 [0,2,0,0,0,0|1,0,0]=3 8500 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100000210790_100000702505 [0,2,0,0,0,0|1,0,0]=3 8501 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100011626353_100000211182 [0,2,0,0,0,0|1,0,0]=3 8502 B14R1.6395 CC(C)(OCc1ccccn1)C(=O)N 34a_100011626353_100000721315 [0,2,0,0,0,0|2,0,0]=4 8503 B14R1.6395 CC(C)(OCc1ccccn1)C(=O)N 7a_100011626353_100000721315 [0,2,0,0,0,0|2,0,0]=4 8504 B14R1.6395 CC(C)(OCc1cccnc1)C(=O)N 34a_100011626353_100000733263 [0,2,0,0,0,0|2,0,0]=4 8505 B14R1.6395 CC(C)(OCc1cccnc1)C(=O)N 7a_100011626353_100000741622 [0,2,0,0,0,0|2,0,0]=4 8506 B14R1.6395 CC(C)(OCc1ccncc1)C(=O)N 7a_100011626353_100015193705 [0,2,0,0,0,0|2,0,0]=4 8507 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000211182_100000702505 [0,2,0,0,0,0|1,0,0]=3 8508 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000702505_100015291786 [0,2,0,0,0,0|1,0,0]=3 8509 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)[13CH3] 1458a_100011459008_200025704644 [0,2,0,0,0,0|1,0,0]=3 8510 B14R1.6395 CC(C)(SCc1ccccc1)[N+](=O)[O-] 62a_100000211182_200009813997 [0,2,0,0,0,0|2,0,0]=4 8511 B14R1.6395 CC(C)(SCc1ccccc1)[N+](=O)[O-] 62a_200009813997_100015291786 [0,2,0,0,0,0|2,0,0]=4 8512 B14R1.6395 CC(C)(SCc1ccccn1)C(=O)N 62a_100000702505_100000721315 [0,2,0,0,0,0|2,0,0]=4 8513 B14R1.6395 CC(C)(SCc1ccccn1)C(=O)N 62a_100000721315_100000702505 [0,2,0,0,0,0|2,0,0]=4 8514 B14R1.6395 CC(C)(SCc1cccnc1)C(=O)N 62a_100000702505_100000741622 [0,2,0,0,0,0|2,0,0]=4 8515 B14R1.6395 CC(C)(SCc1cccnc1)C(=O)N 62a_100000741622_100000702505 [0,2,0,0,0,0|2,0,0]=4 8516 B14R1.6395 CC(C)(SCc1ccncc1)C(=O)N 62a_100000702505_100015193705 [0,2,0,0,0,0|2,0,0]=4 8517 B14R1.6395 CC(C)(SCc1ccncc1)C(=O)N 62a_100015193705_100000702505 [0,2,0,0,0,0|2,0,0]=4 8518 B14R1.6395 NC(=O)C(F)(F)OCc1ccccc1 7a_100000210790_100009811971 [0,2,0,0,0,0|2,0,0]=4 8519 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100000211182_100009811971 [0,2,0,0,0,0|2,0,0]=4 8520 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100009811971_100015291786 [0,2,0,0,0,0|2,0,0]=4 8521 B14R1.6395 O=C([O-])C(F)(F)NCc1ccccc1 34a_100015324214_100020612412 [0,2,0,0,0,0|2,0,0]=4 8522 B14R1.6395 O=C([O-])C(F)(F)OCc1ccccc1 34a_100000210790_100020612412 [0,2,0,0,0,0|2,0,0]=4 8523 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000211182_100000745680 [0,2,0,0,0,0|2,0,0]=4 8524 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000745680_100015291786 [0,2,0,0,0,0|2,0,0]=4 8525 B14R1.161 C=C(C)C(C)NCc1ccccc1Br 269862a_100000689332_100011216138 [0,2,0,0,0,0|2,0,0]=4 8526 B14R1.161 C=C(C)C(C)NCc1ccccc1C 269862a_100000174972_100011216138 [0,2,0,0,0,0|2,0,0]=4 8527 B14R1.161 C=C(C)C(C)NCc1ccccc1Cl 269862a_100000174879_100011216138 [0,2,0,0,0,0|2,0,0]=4 8528 B14R1.161 C=C(C)C(C)NCc1ccccc1F 269862a_100000174869_100011216138 [0,2,0,0,0,0|2,0,0]=4 8529 B14R1.161 C=C(C)C(C)NCc1ccccc1I 269862a_100015347259_100011216138 [0,2,0,0,0,0|2,0,0]=4 8530 B14R1.161 C=C(C)C(C)NCc1ccccc1O 269862a_100000185550_100011216138 [0,2,0,0,0,0|2,0,0]=4 8531 B14R1.161 CC(=O)C(C)NCc1ccccc1Br 2230a_100000689332_100009814033 [0,2,0,0,0,0|1,0,0]=3 8532 B14R1.161 CC(=O)C(C)NCc1ccccc1Cl 2230a_100000174879_100009814033 [0,2,0,0,0,0|1,0,0]=3 8533 B14R1.161 CC(=O)C(C)NCc1cccnc1Br 2230a_100009818023_100009814033 [0,2,0,0,0,0|2,0,0]=4 8534 B14R1.161 CC(=O)C(C)NCc1cccnc1Cl 2230a_100015189234_100009814033 [0,2,0,0,0,0|2,0,0]=4 8535 B14R1.161 CC(=O)C(C)NCc1ncccc1Cl 2230a_100015189233_100009814033 [0,2,0,0,0,0|2,0,0]=4 8536 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 34a_100000212229_100000184730 [0,2,0,0,0,0|1,0,0]=3 8537 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 7a_100000756307_100000179758 [0,2,0,0,0,0|1,0,0]=3 8538 B14R1.161 CC(=O)C(C)OCc1ccccc1C 34a_100000212229_100000211839 [0,2,0,0,0,0|1,0,0]=3 8539 B14R1.161 CC(=O)C(C)OCc1ccccc1C 7a_100000698903_100000179758 [0,2,0,0,0,0|1,0,0]=3 8540 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 34a_100000212229_100000187162 [0,2,0,0,0,0|1,0,0]=3 8541 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 7a_100000210847_100000179758 [0,2,0,0,0,0|1,0,0]=3 8542 B14R1.161 CC(=O)C(C)OCc1ccccc1F 34a_100000212229_100000211605 [0,2,0,0,0,0|1,0,0]=3 8543 B14R1.161 CC(=O)C(C)OCc1ccccc1F 7a_100000211962_100000179758 [0,2,0,0,0,0|1,0,0]=3 8544 B14R1.161 CC(=O)C(C)OCc1ccccc1I 34a_100000212229_100011215278 [0,2,0,0,0,0|1,0,0]=3 8545 B14R1.161 CC(=O)C(C)OCc1ccccc1I 7a_100000187465_100000179758 [0,2,0,0,0,0|1,0,0]=3 8546 B14R1.161 CC(=O)C(C)OCc1cccnc1Br 34a_100000212229_100010140945 [0,2,0,0,0,0|2,0,0]=4 8547 B14R1.161 CC(=O)C(C)OCc1cccnc1Br 7a_100000719692_100000179758 [0,2,0,0,0,0|2,0,0]=4 8548 B14R1.161 CC(=O)C(C)OCc1cccnc1C 34a_100000212229_100000732876 [0,2,0,0,0,0|2,0,0]=4 8549 B14R1.161 CC(=O)C(C)OCc1cccnc1C 7a_100000729262_100000179758 [0,2,0,0,0,0|2,0,0]=4 8550 B14R1.161 CC(=O)C(C)OCc1cccnc1Cl 34a_100000212229_100000045678 [0,2,0,0,0,0|2,0,0]=4 8551 B14R1.161 CC(=O)C(C)OCc1cccnc1Cl 7a_100000748726_100000179758 [0,2,0,0,0,0|2,0,0]=4 8552 B14R1.161 CC(=O)C(C)OCc1cccnc1F 34a_100000212229_100000099810 [0,2,0,0,0,0|2,0,0]=4 8553 B14R1.161 CC(=O)C(C)OCc1cccnc1F 7a_100000079888_100000179758 [0,2,0,0,0,0|2,0,0]=4 8554 B14R1.161 CC(=O)C(C)OCc1ccncc1C 34a_100000212229_100020672809 [0,2,0,0,0,0|2,0,0]=4 8555 B14R1.161 CC(=O)C(C)OCc1cnccc1C 34a_100000212229_100000690890 [0,2,0,0,0,0|2,0,0]=4 8556 B14R1.161 CC(=O)C(C)OCc1ncccc1Br 34a_100000212229_100025702911 [0,2,0,0,0,0|2,0,0]=4 8557 B14R1.161 CC(=O)C(C)OCc1ncccc1C 34a_100000212229_100000696600 [0,2,0,0,0,0|2,0,0]=4 8558 B14R1.161 CC(=O)C(C)OCc1ncccc1F 34a_100000212229_100000104219 [0,2,0,0,0,0|2,0,0]=4 8559 B14R1.161 CC(=O)C(C)OCc1ncccc1O 34a_100000212229_200020655725 [0,2,0,0,0,0|2,0,0]=4 8560 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100000184730_100009814033 [0,2,0,0,0,0|1,0,0]=3 8561 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100009814033_100000184730 [0,2,0,0,0,0|1,0,0]=3 8562 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100000211839_100009814033 [0,2,0,0,0,0|1,0,0]=3 8563 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100009814033_100000211839 [0,2,0,0,0,0|1,0,0]=3 8564 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100000187162_100009814033 [0,2,0,0,0,0|1,0,0]=3 8565 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100009814033_100000187162 [0,2,0,0,0,0|1,0,0]=3 8566 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100000211605_100009814033 [0,2,0,0,0,0|1,0,0]=3 8567 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100009814033_100000211605 [0,2,0,0,0,0|1,0,0]=3 8568 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100009814033_100011216222 [0,2,0,0,0,0|1,0,0]=3 8569 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100011216222_100009814033 [0,2,0,0,0,0|1,0,0]=3 8570 B14R1.161 CC(=O)C(C)SCc1cccnc1Br 62a_100009814033_100010140945 [0,2,0,0,0,0|2,0,0]=4 8571 B14R1.161 CC(=O)C(C)SCc1cccnc1Br 62a_100010140945_100009814033 [0,2,0,0,0,0|2,0,0]=4 8572 B14R1.161 CC(=O)C(C)SCc1cccnc1C 62a_100000732876_100009814033 [0,2,0,0,0,0|2,0,0]=4 8573 B14R1.161 CC(=O)C(C)SCc1cccnc1C 62a_100009814033_100000732876 [0,2,0,0,0,0|2,0,0]=4 8574 B14R1.161 CC(=O)C(C)SCc1cccnc1Cl 62a_100000045678_100009814033 [0,2,0,0,0,0|2,0,0]=4 8575 B14R1.161 CC(=O)C(C)SCc1cccnc1Cl 62a_100009814033_100000045678 [0,2,0,0,0,0|2,0,0]=4 8576 B14R1.161 CC(=O)C(C)SCc1cccnc1F 62a_100000099810_100009814033 [0,2,0,0,0,0|2,0,0]=4 8577 B14R1.161 CC(=O)C(C)SCc1cccnc1F 62a_100009814033_100000099810 [0,2,0,0,0,0|2,0,0]=4 8578 B14R1.161 CC(=O)C(C)SCc1ccncc1C 62a_100009814033_100020672808 [0,2,0,0,0,0|2,0,0]=4 8579 B14R1.161 CC(=O)C(C)SCc1ccncc1C 62a_100020672808_100009814033 [0,2,0,0,0,0|2,0,0]=4 8580 B14R1.161 CC(=O)C(C)SCc1ccncc1Cl 62a_100000763264_100009814033 [0,2,0,0,0,0|2,0,0]=4 8581 B14R1.161 CC(=O)C(C)SCc1ccncc1Cl 62a_100009814033_100000763264 [0,2,0,0,0,0|2,0,0]=4 8582 B14R1.161 CC(=O)C(C)SCc1cnccc1C 62a_100000690890_100009814033 [0,2,0,0,0,0|2,0,0]=4 8583 B14R1.161 CC(=O)C(C)SCc1cnccc1C 62a_100009814033_100000690890 [0,2,0,0,0,0|2,0,0]=4 8584 B14R1.161 CC(=O)C(C)SCc1ncccc1Br 62a_100009814033_100025702911 [0,2,0,0,0,0|2,0,0]=4 8585 B14R1.161 CC(=O)C(C)SCc1ncccc1Br 62a_100025702911_100009814033 [0,2,0,0,0,0|2,0,0]=4 8586 B14R1.161 CC(=O)C(C)SCc1ncccc1C 62a_100000696600_100009814033 [0,2,0,0,0,0|2,0,0]=4 8587 B14R1.161 CC(=O)C(C)SCc1ncccc1C 62a_100009814033_100000696600 [0,2,0,0,0,0|2,0,0]=4 8588 B14R1.161 CC(=O)C(C)SCc1ncccc1Cl 62a_100000099807_100009814033 [0,2,0,0,0,0|2,0,0]=4 8589 B14R1.161 CC(=O)C(C)SCc1ncccc1Cl 62a_100009814033_100000099807 [0,2,0,0,0,0|2,0,0]=4 8590 B14R1.161 CC(=O)C(C)SCc1ncccc1F 62a_100000104219_100009814033 [0,2,0,0,0,0|2,0,0]=4 8591 B14R1.161 CC(=O)C(C)SCc1ncccc1F 62a_100009814033_100000104219 [0,2,0,0,0,0|2,0,0]=4 8592 B14R1.161 CC(=O)C(C)SCc1ncccc1O 62a_100009814033_200020655725 [0,2,0,0,0,0|2,0,0]=4 8593 B14R1.161 CC(=O)C(C)SCc1ncccc1O 62a_200020655725_100009814033 [0,2,0,0,0,0|2,0,0]=4 8594 B14R1.161 CC(=O)C(O)COc1ccccc1C 1458a_100011934399_200000210301 [0,2,0,0,0,0|2,0,0]=4 8595 B14R1.161 CC(=O)N(C)CCc1ccccc1F 11a_100000232559_100015343762 [0,2,0,0,0,0|1,0,0]=3 8596 B14R1.161 CC(=O)N(C)CCc1ccccc1F 1626a_100000232559_100015343762 [0,2,0,0,0,0|1,0,0]=3 8597 B14R1.161 CC(=O)N(C)CCc1ccccc1F 240690a_100000232559_100015343762 [0,2,0,0,0,0|1,0,0]=3 8598 B14R1.161 CC(=O)N(C)CCc1ccccc1F 527a_100000232559_100103153847 [0,2,0,0,0,0|1,0,0]=3 8599 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 2230a_100000689332_100000702099 [0,2,0,0,0,0|1,0,0]=3 8600 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 34a_100000689332_100000702099 [0,2,0,0,0,0|1,0,0]=3 8601 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 2230a_100000174879_100000702099 [0,2,0,0,0,0|1,0,0]=3 8602 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 34a_100000174879_100000702099 [0,2,0,0,0,0|1,0,0]=3 8603 B14R1.161 CC(NCc1ccccc1F)C(=O)N 34a_100000174869_100000702099 [0,2,0,0,0,0|1,0,0]=3 8604 B14R1.161 CC(NCc1ccccc1O)C(=O)N 34a_100000185550_100000702099 [0,2,0,0,0,0|1,0,0]=3 8605 B14R1.161 CC(NCc1cccnc1Br)C(=O)N 2230a_100009818023_100000702099 [0,2,0,0,0,0|2,0,0]=4 8606 B14R1.161 CC(NCc1cccnc1Br)C(=O)N 34a_100009818023_100000702099 [0,2,0,0,0,0|2,0,0]=4 8607 B14R1.161 CC(NCc1cccnc1Cl)C(=O)N 2230a_100015189234_100000702099 [0,2,0,0,0,0|2,0,0]=4 8608 B14R1.161 CC(NCc1cccnc1Cl)C(=O)N 34a_100015189234_100000702099 [0,2,0,0,0,0|2,0,0]=4 8609 B14R1.161 CC(NCc1cccnc1F)C(=O)N 34a_100000724633_100000702099 [0,2,0,0,0,0|2,0,0]=4 8610 B14R1.161 CC(NCc1ccncc1F)C(=O)N 34a_100011935246_100000702099 [0,2,0,0,0,0|2,0,0]=4 8611 B14R1.161 CC(NCc1ncccc1Cl)C(=O)N 2230a_100015189233_100000702099 [0,2,0,0,0,0|2,0,0]=4 8612 B14R1.161 CC(NCc1ncccc1F)C(=O)N 34a_100000690088_100000702099 [0,2,0,0,0,0|2,0,0]=4 8613 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 34a_100000756307_100000702099 [0,2,0,0,0,0|1,0,0]=3 8614 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 7a_100000756307_100000702099 [0,2,0,0,0,0|1,0,0]=3 8615 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 34a_100000210847_100000702099 [0,2,0,0,0,0|1,0,0]=3 8616 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 7a_100000210847_100000702099 [0,2,0,0,0,0|1,0,0]=3 8617 B14R1.161 CC(OCc1ccccc1F)C(=O)N 34a_100000211962_100000702099 [0,2,0,0,0,0|1,0,0]=3 8618 B14R1.161 CC(OCc1ccccc1F)C(=O)N 7a_100000211962_100000702099 [0,2,0,0,0,0|1,0,0]=3 8619 B14R1.161 CC(OCc1ccccc1I)C(=O)N 34a_100000187465_100000702099 [0,2,0,0,0,0|1,0,0]=3 8620 B14R1.161 CC(OCc1ccccc1I)C(=O)N 7a_100000187465_100000702099 [0,2,0,0,0,0|1,0,0]=3 8621 B14R1.161 CC(OCc1ccccc1N)C(=O)N 34a_100000212039_100000702099 [0,2,0,0,0,0|1,0,0]=3 8622 B14R1.161 CC(OCc1cccnc1Br)C(=O)N 34a_100000719692_100000702099 [0,2,0,0,0,0|2,0,0]=4 8623 B14R1.161 CC(OCc1cccnc1Br)C(=O)N 7a_100000719692_100000702099 [0,2,0,0,0,0|2,0,0]=4 8624 B14R1.161 CC(OCc1cccnc1Cl)C(=O)N 34a_100000748726_100000702099 [0,2,0,0,0,0|2,0,0]=4 8625 B14R1.161 CC(OCc1cccnc1Cl)C(=O)N 7a_100000748726_100000702099 [0,2,0,0,0,0|2,0,0]=4 8626 B14R1.161 CC(OCc1cccnc1F)C(=O)N 34a_100000079888_100000702099 [0,2,0,0,0,0|2,0,0]=4 8627 B14R1.161 CC(OCc1cccnc1F)C(=O)N 7a_100000079888_100000702099 [0,2,0,0,0,0|2,0,0]=4 8628 B14R1.161 CC(OCc1ccncc1F)C(=O)N 34a_100012172863_100000702099 [0,2,0,0,0,0|2,0,0]=4 8629 B14R1.161 CC(OCc1cnccc1Cl)C(=O)N 34a_100000117392_100000702099 [0,2,0,0,0,0|2,0,0]=4 8630 B14R1.161 CC(OCc1ncccc1Br)C(=O)N 34a_100011996772_100000702099 [0,2,0,0,0,0|2,0,0]=4 8631 B14R1.161 CC(OCc1ncccc1Cl)C(=O)N 34a_100012002383_100000702099 [0,2,0,0,0,0|2,0,0]=4 8632 B14R1.161 CC(OCc1ncccc1F)C(=O)N 34a_100011934865_100000702099 [0,2,0,0,0,0|2,0,0]=4 8633 B14R1.161 CC(OCc1ncccc1N)C(=O)N 34a_114873767017_100000702099 [0,2,0,0,0,0|2,0,0]=4 8634 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000184730_100000702099 [0,2,0,0,0,0|1,0,0]=3 8635 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000702099_100000184730 [0,2,0,0,0,0|1,0,0]=3 8636 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000187162_100000702099 [0,2,0,0,0,0|1,0,0]=3 8637 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000702099_100000187162 [0,2,0,0,0,0|1,0,0]=3 8638 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000211605_100000702099 [0,2,0,0,0,0|1,0,0]=3 8639 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000702099_100000211605 [0,2,0,0,0,0|1,0,0]=3 8640 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100000702099_100011216222 [0,2,0,0,0,0|1,0,0]=3 8641 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100011216222_100000702099 [0,2,0,0,0,0|1,0,0]=3 8642 B14R1.161 CC(SCc1cccnc1Br)C(=O)N 62a_100000702099_100010140945 [0,2,0,0,0,0|2,0,0]=4 8643 B14R1.161 CC(SCc1cccnc1Br)C(=O)N 62a_100010140945_100000702099 [0,2,0,0,0,0|2,0,0]=4 8644 B14R1.161 CC(SCc1cccnc1Cl)C(=O)N 62a_100000045678_100000702099 [0,2,0,0,0,0|2,0,0]=4 8645 B14R1.161 CC(SCc1cccnc1Cl)C(=O)N 62a_100000702099_100000045678 [0,2,0,0,0,0|2,0,0]=4 8646 B14R1.161 CC(SCc1cccnc1F)C(=O)N 62a_100000099810_100000702099 [0,2,0,0,0,0|2,0,0]=4 8647 B14R1.161 CC(SCc1cccnc1F)C(=O)N 62a_100000702099_100000099810 [0,2,0,0,0,0|2,0,0]=4 8648 B14R1.161 CC(SCc1ccncc1Cl)C(=O)N 62a_100000702099_100000763264 [0,2,0,0,0,0|2,0,0]=4 8649 B14R1.161 CC(SCc1ccncc1Cl)C(=O)N 62a_100000763264_100000702099 [0,2,0,0,0,0|2,0,0]=4 8650 B14R1.161 CC(SCc1ncccc1Br)C(=O)N 62a_100000702099_100025702911 [0,2,0,0,0,0|2,0,0]=4 8651 B14R1.161 CC(SCc1ncccc1Br)C(=O)N 62a_100025702911_100000702099 [0,2,0,0,0,0|2,0,0]=4 8652 B14R1.161 CC(SCc1ncccc1Cl)C(=O)N 62a_100000099807_100000702099 [0,2,0,0,0,0|2,0,0]=4 8653 B14R1.161 CC(SCc1ncccc1Cl)C(=O)N 62a_100000702099_100000099807 [0,2,0,0,0,0|2,0,0]=4 8654 B14R1.161 CC(SCc1ncccc1F)C(=O)N 62a_100000104219_100000702099 [0,2,0,0,0,0|2,0,0]=4 8655 B14R1.161 CC(SCc1ncccc1F)C(=O)N 62a_100000702099_100000104219 [0,2,0,0,0,0|2,0,0]=4 8656 B14R1.161 CC(SCc1ncccc1O)C(=O)N 62a_100000702099_200020655725 [0,2,0,0,0,0|2,0,0]=4 8657 B14R1.161 CC(SCc1ncccc1O)C(=O)N 62a_200020655725_100000702099 [0,2,0,0,0,0|2,0,0]=4 8658 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 2230a_100000119354_100000184730 [0,2,0,0,0,0|1,0,0]=3 8659 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 270004a_100000119354_100000211189 [0,2,0,0,0,0|1,0,0]=3 8660 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 34a_100000119354_100000184730 [0,2,0,0,0,0|1,0,0]=3 8661 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 2230a_100000119354_100000187162 [0,2,0,0,0,0|1,0,0]=3 8662 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 270004a_100000119354_100000210073 [0,2,0,0,0,0|1,0,0]=3 8663 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 34a_100000119354_100000187162 [0,2,0,0,0,0|1,0,0]=3 8664 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 2230a_100000119354_100000211605 [0,2,0,0,0,0|1,0,0]=3 8665 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 270004a_100000119354_100000210811 [0,2,0,0,0,0|1,0,0]=3 8666 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 34a_100000119354_100000211605 [0,2,0,0,0,0|1,0,0]=3 8667 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 2230a_100000119354_100011215278 [0,2,0,0,0,0|1,0,0]=3 8668 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 270004a_100000119354_100000010305 [0,2,0,0,0,0|1,0,0]=3 8669 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 34a_100000119354_100011215278 [0,2,0,0,0,0|1,0,0]=3 8670 B14R1.161 C[C@@H](NCc1cccnc1Br)C(=O)N 2230a_100000119354_100010140945 [0,2,0,0,0,0|2,0,0]=4 8671 B14R1.161 C[C@@H](NCc1cccnc1Br)C(=O)N 34a_100000119354_100010140945 [0,2,0,0,0,0|2,0,0]=4 8672 B14R1.161 C[C@@H](NCc1cccnc1Cl)C(=O)N 2230a_100000119354_100000045678 [0,2,0,0,0,0|2,0,0]=4 8673 B14R1.161 C[C@@H](NCc1cccnc1Cl)C(=O)N 34a_100000119354_100000045678 [0,2,0,0,0,0|2,0,0]=4 8674 B14R1.161 C[C@@H](NCc1cccnc1F)C(=O)N 2230a_100000119354_100000099810 [0,2,0,0,0,0|2,0,0]=4 8675 B14R1.161 C[C@@H](NCc1cccnc1F)C(=O)N 34a_100000119354_100000099810 [0,2,0,0,0,0|2,0,0]=4 8676 B14R1.161 C[C@@H](NCc1cccnc1O)C(=O)N 270004a_100000119354_100011998315 [0,2,0,0,0,0|2,0,0]=4 8677 B14R1.161 C[C@@H](NCc1ccncc1Br)C(=O)N 270004a_100000119354_100000755692 [0,2,0,0,0,0|2,0,0]=4 8678 B14R1.161 C[C@@H](NCc1ccncc1Cl)C(=O)N 2230a_100000119354_100000763264 [0,2,0,0,0,0|2,0,0]=4 8679 B14R1.161 C[C@@H](NCc1ccncc1Cl)C(=O)N 270004a_100000119354_100011934409 [0,2,0,0,0,0|2,0,0]=4 8680 B14R1.161 C[C@@H](NCc1cnccc1Br)C(=O)N 270004a_100000119354_100009816821 [0,2,0,0,0,0|2,0,0]=4 8681 B14R1.161 C[C@@H](NCc1cnccc1Cl)C(=O)N 270004a_100000119354_100000050567 [0,2,0,0,0,0|2,0,0]=4 8682 B14R1.161 C[C@@H](NCc1ncccc1Br)C(=O)N 2230a_100000119354_100025702911 [0,2,0,0,0,0|2,0,0]=4 8683 B14R1.161 C[C@@H](NCc1ncccc1Br)C(=O)N 270004a_100000119354_100011934733 [0,2,0,0,0,0|2,0,0]=4 8684 B14R1.161 C[C@@H](NCc1ncccc1Br)C(=O)N 34a_100000119354_100025702911 [0,2,0,0,0,0|2,0,0]=4 8685 B14R1.161 C[C@@H](NCc1ncccc1Cl)C(=O)N 2230a_100000119354_100000099807 [0,2,0,0,0,0|2,0,0]=4 8686 B14R1.161 C[C@@H](NCc1ncccc1Cl)C(=O)N 270004a_100000119354_100012001307 [0,2,0,0,0,0|2,0,0]=4 8687 B14R1.161 C[C@@H](NCc1ncccc1F)C(=O)N 2230a_100000119354_100000104219 [0,2,0,0,0,0|2,0,0]=4 8688 B14R1.161 C[C@@H](NCc1ncccc1F)C(=O)N 270004a_100000119354_100011934734 [0,2,0,0,0,0|2,0,0]=4 8689 B14R1.161 C[C@@H](NCc1ncccc1F)C(=O)N 34a_100000119354_100000104219 [0,2,0,0,0,0|2,0,0]=4 8690 B14R1.161 C[C@@H](NCc1ncccc1O)C(=O)N 34a_100000119354_200020655725 [0,2,0,0,0,0|2,0,0]=4 8691 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 34a_100000731257_100000184730 [0,2,0,0,0,0|1,0,0]=3 8692 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 7a_100000731257_100000184730 [0,2,0,0,0,0|1,0,0]=3 8693 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 34a_100000731257_100000187162 [0,2,0,0,0,0|1,0,0]=3 8694 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 7a_100000731257_100000187162 [0,2,0,0,0,0|1,0,0]=3 8695 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 34a_100000731257_100000211605 [0,2,0,0,0,0|1,0,0]=3 8696 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 7a_100000731257_100000211605 [0,2,0,0,0,0|1,0,0]=3 8697 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 34a_100000731257_100011215278 [0,2,0,0,0,0|1,0,0]=3 8698 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 7a_100000731257_100011215278 [0,2,0,0,0,0|1,0,0]=3 8699 B14R1.161 C[C@@H](OCc1cccnc1Br)C(=O)N 34a_100000731257_100010140945 [0,2,0,0,0,0|2,0,0]=4 8700 B14R1.161 C[C@@H](OCc1cccnc1Br)C(=O)N 7a_100000731257_100010140945 [0,2,0,0,0,0|2,0,0]=4 8701 B14R1.161 C[C@@H](OCc1cccnc1Cl)C(=O)N 34a_100000731257_100000045678 [0,2,0,0,0,0|2,0,0]=4 8702 B14R1.161 C[C@@H](OCc1cccnc1Cl)C(=O)N 7a_100000731257_100000045678 [0,2,0,0,0,0|2,0,0]=4 8703 B14R1.161 C[C@@H](OCc1cccnc1F)C(=O)N 34a_100000731257_100000099810 [0,2,0,0,0,0|2,0,0]=4 8704 B14R1.161 C[C@@H](OCc1cccnc1F)C(=O)N 7a_100000731257_100000099810 [0,2,0,0,0,0|2,0,0]=4 8705 B14R1.161 C[C@@H](OCc1ccncc1Cl)C(=O)N 7a_100000731257_100000763264 [0,2,0,0,0,0|2,0,0]=4 8706 B14R1.161 C[C@@H](OCc1ncccc1Br)C(=O)N 34a_100000731257_100025702911 [0,2,0,0,0,0|2,0,0]=4 8707 B14R1.161 C[C@@H](OCc1ncccc1Br)C(=O)N 7a_100000731257_100025702911 [0,2,0,0,0,0|2,0,0]=4 8708 B14R1.161 C[C@@H](OCc1ncccc1Cl)C(=O)N 7a_100000731257_100000099807 [0,2,0,0,0,0|2,0,0]=4 8709 B14R1.161 C[C@@H](OCc1ncccc1F)C(=O)N 34a_100000731257_100000104219 [0,2,0,0,0,0|2,0,0]=4 8710 B14R1.161 C[C@@H](OCc1ncccc1F)C(=O)N 7a_100000731257_100000104219 [0,2,0,0,0,0|2,0,0]=4 8711 B14R1.161 C[C@@H](OCc1ncccc1O)C(=O)N 34a_100000731257_200020655725 [0,2,0,0,0,0|2,0,0]=4 8712 B14R1.161 C[C@@H](OCc1ncccc1O)C(=O)N 7a_100000731257_200020655725 [0,2,0,0,0,0|2,0,0]=4 8713 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,2,0,0,0,0|1,0,0]=3 8714 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,2,0,0,0,0|1,0,0]=3 8715 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,2,0,0,0,0|1,0,0]=3 8716 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,2,0,0,0,0|1,0,0]=3 8717 B14R1.161 C[C@H](NCc1cccnc1Br)C(=O)O 269956a_100000743915_100010140945 [0,2,0,0,0,0|2,0,0]=4 8718 B14R1.161 C[C@H](NCc1cccnc1Cl)C(=O)O 269956a_100000743915_100000045678 [0,2,0,0,0,0|2,0,0]=4 8719 B14R1.161 C[C@H](NCc1cccnc1F)C(=O)O 269956a_100000743915_100000099810 [0,2,0,0,0,0|2,0,0]=4 8720 B14R1.161 C[C@H](NCc1ccncc1Cl)C(=O)O 269956a_100000743915_100000763264 [0,2,0,0,0,0|2,0,0]=4 8721 B14R1.161 C[C@H](NCc1ncccc1Br)C(=O)O 269956a_100000743915_100025702911 [0,2,0,0,0,0|2,0,0]=4 8722 B14R1.161 C[C@H](NCc1ncccc1Cl)C(=O)O 269956a_100000743915_100000099807 [0,2,0,0,0,0|2,0,0]=4 8723 B14R1.161 C[C@H](NCc1ncccc1F)C(=O)O 269956a_100000743915_100000104219 [0,2,0,0,0,0|2,0,0]=4 8724 B14R1.161 C[C@H](NCc1ncccc1O)C(=O)O 269956a_100000743915_200020655725 [0,2,0,0,0,0|2,0,0]=4 8725 B14R1.161 C[C@H](OCc1ccccc1Br)C(=O)[O-] 7a_217856618621_100000184730 [0,2,0,0,0,0|1,0,0]=3 8726 B14R1.161 C[C@H](OCc1ccccc1Cl)C(=O)[O-] 7a_217856618621_100000187162 [0,2,0,0,0,0|1,0,0]=3 8727 B14R1.161 C[C@H](OCc1ccccc1F)C(=O)[O-] 7a_217856618621_100000211605 [0,2,0,0,0,0|1,0,0]=3 8728 B14R1.161 C[C@H](OCc1ccccc1I)C(=O)[O-] 7a_217856618621_100011215278 [0,2,0,0,0,0|1,0,0]=3 8729 B14R1.161 C[C@H](OCc1cccnc1Br)C(=O)[O-] 7a_217856618621_100010140945 [0,2,0,0,0,0|2,0,0]=4 8730 B14R1.161 C[C@H](OCc1cccnc1Cl)C(=O)[O-] 7a_217856618621_100000045678 [0,2,0,0,0,0|2,0,0]=4 8731 B14R1.161 C[C@H](OCc1cccnc1F)C(=O)[O-] 7a_217856618621_100000099810 [0,2,0,0,0,0|2,0,0]=4 8732 B14R1.161 C[C@H](OCc1ccncc1Cl)C(=O)[O-] 7a_217856618621_100000763264 [0,2,0,0,0,0|2,0,0]=4 8733 B14R1.161 C[C@H](OCc1ncccc1Br)C(=O)[O-] 7a_217856618621_100025702911 [0,2,0,0,0,0|2,0,0]=4 8734 B14R1.161 C[C@H](OCc1ncccc1Cl)C(=O)[O-] 7a_217856618621_100000099807 [0,2,0,0,0,0|2,0,0]=4 8735 B14R1.161 C[C@H](OCc1ncccc1F)C(=O)[O-] 7a_217856618621_100000104219 [0,2,0,0,0,0|2,0,0]=4 8736 B14R1.161 C[C@H](OCc1ncccc1O)C(=O)[O-] 7a_217856618621_200020655725 [0,2,0,0,0,0|2,0,0]=4 8737 B14R1.161 Cc1ccccc1CNC(C)C(=O)N 34a_100000174972_100000702099 [0,2,0,0,0,0|1,0,0]=3 8738 B14R1.161 Cc1ccccc1CNC(F)C(=O)N 34a_100000174972_100009813875 [0,2,0,0,0,0|2,0,0]=4 8739 B14R1.161 Cc1ccccc1CNC(F)C(=O)[O-] 34a_100000174972_100020610796 [0,2,0,0,0,0|2,0,0]=4 8740 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,2,0,0,0,0|1,0,0]=3 8741 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 2230a_100000119354_100000211839 [0,2,0,0,0,0|1,0,0]=3 8742 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 270004a_100000119354_100000211143 [0,2,0,0,0,0|1,0,0]=3 8743 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 34a_100000119354_100000211839 [0,2,0,0,0,0|1,0,0]=3 8744 B14R1.161 Cc1ccccc1COC(C)C(=O)N 34a_100000698903_100000702099 [0,2,0,0,0,0|1,0,0]=3 8745 B14R1.161 Cc1ccccc1COC(C)C(=O)N 7a_100000698903_100000702099 [0,2,0,0,0,0|1,0,0]=3 8746 B14R1.161 Cc1ccccc1COC(F)C(=O)N 34a_100000698903_100009813875 [0,2,0,0,0,0|2,0,0]=4 8747 B14R1.161 Cc1ccccc1COC(F)C(=O)N 7a_100000698903_100009813875 [0,2,0,0,0,0|2,0,0]=4 8748 B14R1.161 Cc1ccccc1COC(F)C(=O)[O-] 34a_100000698903_100020610796 [0,2,0,0,0,0|2,0,0]=4 8749 B14R1.161 Cc1ccccc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211839 [0,2,0,0,0,0|1,0,0]=3 8750 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 34a_100000731257_100000211839 [0,2,0,0,0,0|1,0,0]=3 8751 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 7a_100000731257_100000211839 [0,2,0,0,0,0|1,0,0]=3 8752 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000211839_100000702099 [0,2,0,0,0,0|1,0,0]=3 8753 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000702099_100000211839 [0,2,0,0,0,0|1,0,0]=3 8754 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100000211839_100009813875 [0,2,0,0,0,0|2,0,0]=4 8755 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100009813875_100000211839 [0,2,0,0,0,0|2,0,0]=4 8756 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100000211839_100020610796 [0,2,0,0,0,0|2,0,0]=4 8757 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100020610796_100000211839 [0,2,0,0,0,0|2,0,0]=4 8758 B14R1.161 Cc1ccccc1OCC(O)C(=O)[13CH3] 1458a_100011934399_200025704644 [0,2,0,0,0,0|2,0,0]=4 8759 B14R1.161 Cc1cccnc1CNC(C)C(=O)N 34a_100011223789_100000702099 [0,2,0,0,0,0|2,0,0]=4 8760 B14R1.161 Cc1cccnc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000696600 [0,2,0,0,0,0|2,0,0]=4 8761 B14R1.161 Cc1cccnc1CN[C@H](C)C(=O)N 2230a_100000119354_100000696600 [0,2,0,0,0,0|2,0,0]=4 8762 B14R1.161 Cc1cccnc1CN[C@H](C)C(=O)N 270004a_100000119354_100000698913 [0,2,0,0,0,0|2,0,0]=4 8763 B14R1.161 Cc1cccnc1CN[C@H](C)C(=O)N 34a_100000119354_100000696600 [0,2,0,0,0,0|2,0,0]=4 8764 B14R1.161 Cc1cccnc1COC(C)C(=O)N 34a_100000698912_100000702099 [0,2,0,0,0,0|2,0,0]=4 8765 B14R1.161 Cc1cccnc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000696600 [0,2,0,0,0,0|2,0,0]=4 8766 B14R1.161 Cc1cccnc1CO[C@H](C)C(=O)N 34a_100000731257_100000696600 [0,2,0,0,0,0|2,0,0]=4 8767 B14R1.161 Cc1cccnc1CO[C@H](C)C(=O)N 7a_100000731257_100000696600 [0,2,0,0,0,0|2,0,0]=4 8768 B14R1.161 Cc1cccnc1CSC(C)C(=O)N 62a_100000696600_100000702099 [0,2,0,0,0,0|2,0,0]=4 8769 B14R1.161 Cc1cccnc1CSC(C)C(=O)N 62a_100000702099_100000696600 [0,2,0,0,0,0|2,0,0]=4 8770 B14R1.161 Cc1ccncc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000690890 [0,2,0,0,0,0|2,0,0]=4 8771 B14R1.161 Cc1ccncc1CN[C@H](C)C(=O)N 2230a_100000119354_100000690890 [0,2,0,0,0,0|2,0,0]=4 8772 B14R1.161 Cc1ccncc1CN[C@H](C)C(=O)N 270004a_100000119354_100000685662 [0,2,0,0,0,0|2,0,0]=4 8773 B14R1.161 Cc1ccncc1CN[C@H](C)C(=O)N 34a_100000119354_100000690890 [0,2,0,0,0,0|2,0,0]=4 8774 B14R1.161 Cc1ccncc1COC(C)C(=O)N 34a_100011996381_100000702099 [0,2,0,0,0,0|2,0,0]=4 8775 B14R1.161 Cc1ccncc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000690890 [0,2,0,0,0,0|2,0,0]=4 8776 B14R1.161 Cc1ccncc1CO[C@H](C)C(=O)N 34a_100000731257_100000690890 [0,2,0,0,0,0|2,0,0]=4 8777 B14R1.161 Cc1ccncc1CO[C@H](C)C(=O)N 7a_100000731257_100000690890 [0,2,0,0,0,0|2,0,0]=4 8778 B14R1.161 Cc1ccncc1CSC(C)C(=O)N 62a_100000690890_100000702099 [0,2,0,0,0,0|2,0,0]=4 8779 B14R1.161 Cc1ccncc1CSC(C)C(=O)N 62a_100000702099_100000690890 [0,2,0,0,0,0|2,0,0]=4 8780 B14R1.161 Cc1cnccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100020672808 [0,2,0,0,0,0|2,0,0]=4 8781 B14R1.161 Cc1cnccc1CN[C@H](C)C(=O)N 2230a_100000119354_100020672808 [0,2,0,0,0,0|2,0,0]=4 8782 B14R1.161 Cc1cnccc1CN[C@H](C)C(=O)N 34a_100000119354_100020672809 [0,2,0,0,0,0|2,0,0]=4 8783 B14R1.161 Cc1cnccc1COC(C)C(=O)N 34a_100011997032_100000702099 [0,2,0,0,0,0|2,0,0]=4 8784 B14R1.161 Cc1cnccc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100020672808 [0,2,0,0,0,0|2,0,0]=4 8785 B14R1.161 Cc1cnccc1CO[C@H](C)C(=O)N 34a_100000731257_100020672809 [0,2,0,0,0,0|2,0,0]=4 8786 B14R1.161 Cc1cnccc1CO[C@H](C)C(=O)N 7a_100000731257_100020672808 [0,2,0,0,0,0|2,0,0]=4 8787 B14R1.161 Cc1cnccc1CSC(C)C(=O)N 62a_100000702099_100020672808 [0,2,0,0,0,0|2,0,0]=4 8788 B14R1.161 Cc1cnccc1CSC(C)C(=O)N 62a_100020672808_100000702099 [0,2,0,0,0,0|2,0,0]=4 8789 B14R1.161 Cc1ncccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000732876 [0,2,0,0,0,0|2,0,0]=4 8790 B14R1.161 Cc1ncccc1CN[C@H](C)C(=O)N 2230a_100000119354_100000732876 [0,2,0,0,0,0|2,0,0]=4 8791 B14R1.161 Cc1ncccc1CN[C@H](C)C(=O)N 270004a_100000119354_100000751968 [0,2,0,0,0,0|2,0,0]=4 8792 B14R1.161 Cc1ncccc1CN[C@H](C)C(=O)N 34a_100000119354_100000732876 [0,2,0,0,0,0|2,0,0]=4 8793 B14R1.161 Cc1ncccc1COC(C)C(=O)N 34a_100000729262_100000702099 [0,2,0,0,0,0|2,0,0]=4 8794 B14R1.161 Cc1ncccc1COC(C)C(=O)N 7a_100000729262_100000702099 [0,2,0,0,0,0|2,0,0]=4 8795 B14R1.161 Cc1ncccc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000732876 [0,2,0,0,0,0|2,0,0]=4 8796 B14R1.161 Cc1ncccc1CO[C@H](C)C(=O)N 34a_100000731257_100000732876 [0,2,0,0,0,0|2,0,0]=4 8797 B14R1.161 Cc1ncccc1CO[C@H](C)C(=O)N 7a_100000731257_100000732876 [0,2,0,0,0,0|2,0,0]=4 8798 B14R1.161 Cc1ncccc1CSC(C)C(=O)N 62a_100000702099_100000732876 [0,2,0,0,0,0|2,0,0]=4 8799 B14R1.161 Cc1ncccc1CSC(C)C(=O)N 62a_100000732876_100000702099 [0,2,0,0,0,0|2,0,0]=4 8800 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 2230a_100000689332_100009813875 [0,2,0,0,0,0|2,0,0]=4 8801 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 34a_100000689332_100009813875 [0,2,0,0,0,0|2,0,0]=4 8802 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 2230a_100000174879_100009813875 [0,2,0,0,0,0|2,0,0]=4 8803 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 34a_100000174879_100009813875 [0,2,0,0,0,0|2,0,0]=4 8804 B14R1.161 NC(=O)C(F)NCc1ccccc1F 34a_100000174869_100009813875 [0,2,0,0,0,0|2,0,0]=4 8805 B14R1.161 NC(=O)C(F)NCc1ccccc1O 34a_100000185550_100009813875 [0,2,0,0,0,0|2,0,0]=4 8806 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 34a_100000756307_100009813875 [0,2,0,0,0,0|2,0,0]=4 8807 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 7a_100000756307_100009813875 [0,2,0,0,0,0|2,0,0]=4 8808 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 34a_100000210847_100009813875 [0,2,0,0,0,0|2,0,0]=4 8809 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 7a_100000210847_100009813875 [0,2,0,0,0,0|2,0,0]=4 8810 B14R1.161 NC(=O)C(F)OCc1ccccc1F 34a_100000211962_100009813875 [0,2,0,0,0,0|2,0,0]=4 8811 B14R1.161 NC(=O)C(F)OCc1ccccc1F 7a_100000211962_100009813875 [0,2,0,0,0,0|2,0,0]=4 8812 B14R1.161 NC(=O)C(F)OCc1ccccc1I 34a_100000187465_100009813875 [0,2,0,0,0,0|2,0,0]=4 8813 B14R1.161 NC(=O)C(F)OCc1ccccc1I 7a_100000187465_100009813875 [0,2,0,0,0,0|2,0,0]=4 8814 B14R1.161 NC(=O)C(F)OCc1ccccc1N 34a_100000212039_100009813875 [0,2,0,0,0,0|2,0,0]=4 8815 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100000184730_100009813875 [0,2,0,0,0,0|2,0,0]=4 8816 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100009813875_100000184730 [0,2,0,0,0,0|2,0,0]=4 8817 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100000187162_100009813875 [0,2,0,0,0,0|2,0,0]=4 8818 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100009813875_100000187162 [0,2,0,0,0,0|2,0,0]=4 8819 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100000211605_100009813875 [0,2,0,0,0,0|2,0,0]=4 8820 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100009813875_100000211605 [0,2,0,0,0,0|2,0,0]=4 8821 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100009813875_100011216222 [0,2,0,0,0,0|2,0,0]=4 8822 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100011216222_100009813875 [0,2,0,0,0,0|2,0,0]=4 8823 B14R1.161 Nc1ccccc1COC(F)C(=O)[O-] 34a_100000212039_100020610796 [0,2,0,0,0,0|2,0,0]=4 8824 B14R1.161 O=C([O-])C(F)NCc1ccccc1Br 34a_100000689332_100020610796 [0,2,0,0,0,0|2,0,0]=4 8825 B14R1.161 O=C([O-])C(F)NCc1ccccc1Cl 34a_100000174879_100020610796 [0,2,0,0,0,0|2,0,0]=4 8826 B14R1.161 O=C([O-])C(F)NCc1ccccc1F 34a_100000174869_100020610796 [0,2,0,0,0,0|2,0,0]=4 8827 B14R1.161 O=C([O-])C(F)NCc1ccccc1O 34a_100000185550_100020610796 [0,2,0,0,0,0|2,0,0]=4 8828 B14R1.161 O=C([O-])C(F)OCc1ccccc1Br 34a_100000756307_100020610796 [0,2,0,0,0,0|2,0,0]=4 8829 B14R1.161 O=C([O-])C(F)OCc1ccccc1Cl 34a_100000210847_100020610796 [0,2,0,0,0,0|2,0,0]=4 8830 B14R1.161 O=C([O-])C(F)OCc1ccccc1F 34a_100000211962_100020610796 [0,2,0,0,0,0|2,0,0]=4 8831 B14R1.161 O=C([O-])C(F)OCc1ccccc1I 34a_100000187465_100020610796 [0,2,0,0,0,0|2,0,0]=4 8832 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100000184730_100020610796 [0,2,0,0,0,0|2,0,0]=4 8833 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100020610796_100000184730 [0,2,0,0,0,0|2,0,0]=4 8834 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100000187162_100020610796 [0,2,0,0,0,0|2,0,0]=4 8835 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100020610796_100000187162 [0,2,0,0,0,0|2,0,0]=4 8836 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100000211605_100020610796 [0,2,0,0,0,0|2,0,0]=4 8837 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100020610796_100000211605 [0,2,0,0,0,0|2,0,0]=4 8838 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100011216222_100020610796 [0,2,0,0,0,0|2,0,0]=4 8839 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100020610796_100011216222 [0,2,0,0,0,0|2,0,0]=4 8840 B14R1.3099 CN(CCc1ccccc1)S(=O)(=O)C 40a_100000207497_100000738038 [0,2,0,0,0,0|2,0,0]=4 8841 B14R1.4194 C=CC(OCc1ccccc1)C(C)C 34a_100000732651_100015291786 [0,2,0,0,0,0|2,0,0]=4 8842 B14R1.4194 C=CC(OCc1ccccc1)C(C)C 7a_100000732651_100000211182 [0,2,0,0,0,0|2,0,0]=4 8843 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,2,0,0,0,0|1,0,1]=4 8844 B14R1.4194 CCC(CCc1ccccc1)N(C)C 270004a_100102631434_100011279265 [0,2,0,0,0,0|1,0,1]=4 8845 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100000733705_100015291786 [0,2,0,0,0,0|1,0,0]=3 8846 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000750255 [0,2,0,0,0,0|1,0,0]=3 8847 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100000733705_100015291786 [0,2,0,0,0,0|1,0,0]=3 8848 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100015324214_100000750255 [0,2,0,0,0,0|1,0,0]=3 8849 B14R1.4194 CCC(NCc1ccccn1)C(=O)N 2230a_100000733705_100000721315 [0,2,0,0,0,0|2,0,0]=4 8850 B14R1.4194 CCC(NCc1ccccn1)C(=O)N 34a_100000733705_100000721315 [0,2,0,0,0,0|2,0,0]=4 8851 B14R1.4194 CCC(NCc1cccnc1)C(=O)N 2230a_100000733705_100000741622 [0,2,0,0,0,0|2,0,0]=4 8852 B14R1.4194 CCC(NCc1cccnc1)C(=O)N 34a_100000733705_100000733263 [0,2,0,0,0,0|2,0,0]=4 8853 B14R1.4194 CCC(NCc1ccncc1)C(=O)N 2230a_100000733705_100015193705 [0,2,0,0,0,0|2,0,0]=4 8854 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 34a_100000210790_100000750255 [0,2,0,0,0,0|1,0,0]=3 8855 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 7a_100000210790_100000750255 [0,2,0,0,0,0|1,0,0]=3 8856 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000211182_100000750255 [0,2,0,0,0,0|1,0,0]=3 8857 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000750255_100015291786 [0,2,0,0,0,0|1,0,0]=3 8858 B14R1.4194 CCC(SCc1ccccn1)C(=O)N 62a_100000721315_100000750255 [0,2,0,0,0,0|2,0,0]=4 8859 B14R1.4194 CCC(SCc1ccccn1)C(=O)N 62a_100000750255_100000721315 [0,2,0,0,0,0|2,0,0]=4 8860 B14R1.4194 CCC(SCc1cccnc1)C(=O)N 62a_100000741622_100000750255 [0,2,0,0,0,0|2,0,0]=4 8861 B14R1.4194 CCC(SCc1cccnc1)C(=O)N 62a_100000750255_100000741622 [0,2,0,0,0,0|2,0,0]=4 8862 B14R1.4194 CCC(SCc1ccncc1)C(=O)N 62a_100000750255_100015193705 [0,2,0,0,0,0|2,0,0]=4 8863 B14R1.4194 CCC(SCc1ccncc1)C(=O)N 62a_100015193705_100000750255 [0,2,0,0,0,0|2,0,0]=4 8864 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 11a_100000741020_100015343762 [0,2,0,0,0,0|1,0,0]=3 8865 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 1626a_100000741020_100015343762 [0,2,0,0,0,0|1,0,0]=3 8866 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 240690a_100000741020_100015343762 [0,2,0,0,0,0|1,0,0]=3 8867 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 527a_100000741020_100103153847 [0,2,0,0,0,0|1,0,0]=3 8868 B14R1.4194 CCN(CCc1ccccn1)C(=O)C 11a_100000227201_100015343762 [0,2,0,0,0,0|2,0,0]=4 8869 B14R1.4194 CCN(CCc1ccccn1)C(=O)C 1626a_100000227201_100015343762 [0,2,0,0,0,0|2,0,0]=4 8870 B14R1.4194 CCN(CCc1ccccn1)C(=O)C 240690a_100000227201_100015343762 [0,2,0,0,0,0|2,0,0]=4 8871 B14R1.4194 CCN(CCc1ccccn1)C(=O)C 527a_100000227201_100103153847 [0,2,0,0,0,0|2,0,0]=4 8872 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,2,0,0,0,0|1,0,0]=3 8873 B14R1.4194 CC[C@@H](NCc1ccccn1)C(=O)O 269956a_100000747097_100000721315 [0,2,0,0,0,0|2,0,0]=4 8874 B14R1.4194 CC[C@@H](NCc1cccnc1)C(=O)O 269956a_100000747097_100000733263 [0,2,0,0,0,0|2,0,0]=4 8875 B14R1.4194 CC[C@@H](NCc1ccncc1)C(=O)O 269956a_100000747097_100015193705 [0,2,0,0,0,0|2,0,0]=4 8876 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,2,0,0,0,0|0,0,0]=2 8877 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 2230a_100000039599_100015291786 [0,2,0,0,0,0|1,0,1]=4 8878 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 270004a_100000039599_100015611070 [0,2,0,0,0,0|1,0,1]=4 8879 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 2230a_100000729942_100015291786 [0,2,0,0,0,0|1,0,0]=3 8880 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 270004a_100000729942_100015611070 [0,2,0,0,0,0|1,0,0]=3 8881 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 34a_100000729942_100015291786 [0,2,0,0,0,0|1,0,0]=3 8882 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccn1 2230a_100000729942_100000721315 [0,2,0,0,0,0|2,0,0]=4 8883 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccn1 270004a_100000729942_100000209966 [0,2,0,0,0,0|2,0,0]=4 8884 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccn1 34a_100000729942_100000721315 [0,2,0,0,0,0|2,0,0]=4 8885 B14R1.4194 NC(=O)[C@H](CO)NCc1cccnc1 2230a_100000729942_100000741622 [0,2,0,0,0,0|2,0,0]=4 8886 B14R1.4194 NC(=O)[C@H](CO)NCc1cccnc1 270004a_100000729942_100000209961 [0,2,0,0,0,0|2,0,0]=4 8887 B14R1.4194 NC(=O)[C@H](CO)NCc1cccnc1 34a_100000729942_100000733263 [0,2,0,0,0,0|2,0,0]=4 8888 B14R1.4194 NC(=O)[C@H](CO)NCc1ccncc1 2230a_100000729942_100015193705 [0,2,0,0,0,0|2,0,0]=4 8889 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,2,0,0,0,0|1,0,0]=3 8890 B14R1.4194 O=C(O)C(CO)NCc1ccccn1 269956a_100000187304_100000721315 [0,2,0,0,0,0|2,0,0]=4 8891 B14R1.4194 O=C(O)C(CO)NCc1cccnc1 269956a_100000187304_100000733263 [0,2,0,0,0,0|2,0,0]=4 8892 B14R1.4194 O=C(O)C(CO)NCc1ccncc1 269956a_100000187304_100015193705 [0,2,0,0,0,0|2,0,0]=4 8893 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,2,0,0,0,0|0,0,0]=2 8894 B14R1.387 C=CC(CC)OCc1ccccc1Br 34a_100000766422_100000184730 [0,2,0,0,0,0|2,0,0]=4 8895 B14R1.387 C=CC(CC)OCc1ccccc1Br 7a_100000766422_100000184730 [0,2,0,0,0,0|2,0,0]=4 8896 B14R1.387 C=CC(CC)OCc1ccccc1C 34a_100000766422_100000211839 [0,2,0,0,0,0|2,0,0]=4 8897 B14R1.387 C=CC(CC)OCc1ccccc1C 7a_100000766422_100000211839 [0,2,0,0,0,0|2,0,0]=4 8898 B14R1.387 C=CC(CC)OCc1ccccc1Cl 34a_100000766422_100000187162 [0,2,0,0,0,0|2,0,0]=4 8899 B14R1.387 C=CC(CC)OCc1ccccc1Cl 7a_100000766422_100000187162 [0,2,0,0,0,0|2,0,0]=4 8900 B14R1.387 C=CC(CC)OCc1ccccc1F 34a_100000766422_100000211605 [0,2,0,0,0,0|2,0,0]=4 8901 B14R1.387 C=CC(CC)OCc1ccccc1F 7a_100000766422_100000211605 [0,2,0,0,0,0|2,0,0]=4 8902 B14R1.387 C=CC(CC)OCc1ccccc1I 34a_100000766422_100011215278 [0,2,0,0,0,0|2,0,0]=4 8903 B14R1.387 C=CC(CC)OCc1ccccc1I 7a_100000766422_100011215278 [0,2,0,0,0,0|2,0,0]=4 8904 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Br 2230a_100016989147_100000184730 [0,2,0,0,0,0|2,0,0]=4 8905 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Br 270004a_100016989147_100000211189 [0,2,0,0,0,0|2,0,0]=4 8906 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Br 34a_100016989147_100000184730 [0,2,0,0,0,0|2,0,0]=4 8907 B14R1.387 C=C[C@@H](CO)NCc1ccccc1C 2230a_100016989147_100000211839 [0,2,0,0,0,0|2,0,0]=4 8908 B14R1.387 C=C[C@@H](CO)NCc1ccccc1C 270004a_100016989147_100000211143 [0,2,0,0,0,0|2,0,0]=4 8909 B14R1.387 C=C[C@@H](CO)NCc1ccccc1C 34a_100016989147_100000211839 [0,2,0,0,0,0|2,0,0]=4 8910 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Cl 2230a_100016989147_100000187162 [0,2,0,0,0,0|2,0,0]=4 8911 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Cl 270004a_100016989147_100000210073 [0,2,0,0,0,0|2,0,0]=4 8912 B14R1.387 C=C[C@@H](CO)NCc1ccccc1Cl 34a_100016989147_100000187162 [0,2,0,0,0,0|2,0,0]=4 8913 B14R1.387 C=C[C@@H](CO)NCc1ccccc1F 2230a_100016989147_100000211605 [0,2,0,0,0,0|2,0,0]=4 8914 B14R1.387 C=C[C@@H](CO)NCc1ccccc1F 270004a_100016989147_100000210811 [0,2,0,0,0,0|2,0,0]=4 8915 B14R1.387 C=C[C@@H](CO)NCc1ccccc1F 34a_100016989147_100000211605 [0,2,0,0,0,0|2,0,0]=4 8916 B14R1.387 C=C[C@@H](CO)NCc1ccccc1I 2230a_100016989147_100011215278 [0,2,0,0,0,0|2,0,0]=4 8917 B14R1.387 C=C[C@@H](CO)NCc1ccccc1I 270004a_100016989147_100000010305 [0,2,0,0,0,0|2,0,0]=4 8918 B14R1.387 C=C[C@@H](CO)NCc1ccccc1I 34a_100016989147_100011215278 [0,2,0,0,0,0|2,0,0]=4 8919 B14R1.387 Cc1ccccc1CNC(C=O)C=O 34a_100000174972_100000736813 [0,2,0,0,0,0|1,0,1]=4 8920 B14R1.387 Cc1ccccc1COC(C=O)C=O 34a_100000698903_100000736813 [0,2,0,0,0,0|1,0,1]=4 8921 B14R1.387 Cc1ccccc1CSC(C=O)C=O 62a_100000211839_100000736813 [0,2,0,0,0,0|1,0,1]=4 8922 B14R1.387 Cc1ccccc1CSC(C=O)C=O 62a_100000736813_100000211839 [0,2,0,0,0,0|1,0,1]=4 8923 B14R1.387 Nc1ccccc1COC(C=O)C=O 34a_100000212039_100000736813 [0,2,0,0,0,0|1,0,1]=4 8924 B14R1.387 O=CC(C=O)NCc1ccccc1Br 2230a_100000689332_100000736813 [0,2,0,0,0,0|1,0,1]=4 8925 B14R1.387 O=CC(C=O)NCc1ccccc1Br 34a_100000689332_100000736813 [0,2,0,0,0,0|1,0,1]=4 8926 B14R1.387 O=CC(C=O)NCc1ccccc1Cl 2230a_100000174879_100000736813 [0,2,0,0,0,0|1,0,1]=4 8927 B14R1.387 O=CC(C=O)NCc1ccccc1Cl 34a_100000174879_100000736813 [0,2,0,0,0,0|1,0,1]=4 8928 B14R1.387 O=CC(C=O)NCc1ccccc1F 34a_100000174869_100000736813 [0,2,0,0,0,0|1,0,1]=4 8929 B14R1.387 O=CC(C=O)NCc1ccccc1O 34a_100000185550_100000736813 [0,2,0,0,0,0|1,0,1]=4 8930 B14R1.387 O=CC(C=O)OCc1ccccc1Br 34a_100000756307_100000736813 [0,2,0,0,0,0|1,0,1]=4 8931 B14R1.387 O=CC(C=O)OCc1ccccc1Cl 34a_100000210847_100000736813 [0,2,0,0,0,0|1,0,1]=4 8932 B14R1.387 O=CC(C=O)OCc1ccccc1F 34a_100000211962_100000736813 [0,2,0,0,0,0|1,0,1]=4 8933 B14R1.387 O=CC(C=O)OCc1ccccc1I 34a_100000187465_100000736813 [0,2,0,0,0,0|1,0,1]=4 8934 B14R1.387 O=CC(C=O)SCc1ccccc1Br 62a_100000184730_100000736813 [0,2,0,0,0,0|1,0,1]=4 8935 B14R1.387 O=CC(C=O)SCc1ccccc1Br 62a_100000736813_100000184730 [0,2,0,0,0,0|1,0,1]=4 8936 B14R1.387 O=CC(C=O)SCc1ccccc1Cl 62a_100000187162_100000736813 [0,2,0,0,0,0|1,0,1]=4 8937 B14R1.387 O=CC(C=O)SCc1ccccc1Cl 62a_100000736813_100000187162 [0,2,0,0,0,0|1,0,1]=4 8938 B14R1.387 O=CC(C=O)SCc1ccccc1F 62a_100000211605_100000736813 [0,2,0,0,0,0|1,0,1]=4 8939 B14R1.387 O=CC(C=O)SCc1ccccc1F 62a_100000736813_100000211605 [0,2,0,0,0,0|1,0,1]=4 8940 B14R1.387 O=CC(C=O)SCc1ccccc1I 62a_100000736813_100011216222 [0,2,0,0,0,0|1,0,1]=4 8941 B14R1.387 O=CC(C=O)SCc1ccccc1I 62a_100011216222_100000736813 [0,2,0,0,0,0|1,0,1]=4 8942 B14R1.863 C=CC(C)OCc1ccccc1C#N 34a_100000695699_100000181865 [0,2,0,0,0,0|2,0,0]=4 8943 B14R1.863 C=CC(C)OCc1ccccc1C=O 34a_100000695699_200009853537 [0,2,0,0,0,0|2,0,0]=4 8944 B14R1.863 C=CC(C)OCc1ccccc1CO 34a_100000695699_100009816955 [0,2,0,0,0,0|2,0,0]=4 8945 B14R1.863 C=CC(C)OCc1ccccc1OC 34a_100000695699_100000210004 [0,2,0,0,0,0|2,0,0]=4 8946 B14R1.863 C=CC(C)OCc1ccccc1SC 34a_100000695699_100000699184 [0,2,0,0,0,0|2,0,0]=4 8947 B14R1.863 C=CC(C)SCc1ccccc1C#N 62a_100011215867_100000181865 [0,2,0,0,0,0|2,0,0]=4 8948 B14R1.863 C=CC(C)SCc1ccccc1C=O 62a_100011215867_200009853537 [0,2,0,0,0,0|2,0,0]=4 8949 B14R1.863 C=CC(C)SCc1ccccc1CO 62a_100011215867_100009816955 [0,2,0,0,0,0|2,0,0]=4 8950 B14R1.863 C=CC(C)SCc1ccccc1OC 62a_100011215867_100000210004 [0,2,0,0,0,0|2,0,0]=4 8951 B14R1.863 C=CC(C)SCc1ccccc1SC 62a_100011215867_100000699184 [0,2,0,0,0,0|2,0,0]=4 8952 B14R1.19598 C=CC(C)OCc1c(cccc1Br)C 34a_100000695699_100010146847 [0,2,0,0,0,0|2,0,0]=4 8953 B14R1.19598 C=CC(C)OCc1c(cccc1Br)Cl 34a_100000695699_100010138402 [0,2,0,0,0,0|2,0,0]=4 8954 B14R1.19598 C=CC(C)OCc1c(cccc1Br)F 34a_100000695699_100012145669 [0,2,0,0,0,0|2,0,0]=4 8955 B14R1.19598 C=CC(C)OCc1c(cccc1C)C 34a_100000695699_100000758300 [0,2,0,0,0,0|2,0,0]=4 8956 B14R1.19598 C=CC(C)OCc1c(cccc1Cl)Cl 34a_100000695699_100000187851 [0,2,0,0,0,0|2,0,0]=4 8957 B14R1.19598 C=CC(C)OCc1c(cccc1Cl)F 34a_100000695699_100000187852 [0,2,0,0,0,0|2,0,0]=4 8958 B14R1.19598 C=CC(C)OCc1c(cccc1F)C 34a_100000695699_100009814554 [0,2,0,0,0,0|2,0,0]=4 8959 B14R1.19598 C=CC(C)OCc1c(cccc1F)F 34a_100000695699_100000698325 [0,2,0,0,0,0|2,0,0]=4 8960 B14R1.19598 C=CC(C)OCc1c(cccc1I)Br 34a_100000695699_100010146611 [0,2,0,0,0,0|2,0,0]=4 8961 B14R1.19598 C=CC(C)OCc1c(cccc1I)C 34a_100000695699_100010150146 [0,2,0,0,0,0|2,0,0]=4 8962 B14R1.19598 C=CC(C)OCc1c(cccc1I)F 34a_100000695699_100010149602 [0,2,0,0,0,0|2,0,0]=4 8963 B14R1.19598 C=CC(C)SCc1c(cccc1Br)C 62a_100011215867_100010146847 [0,2,0,0,0,0|2,0,0]=4 8964 B14R1.19598 C=CC(C)SCc1c(cccc1Br)Cl 62a_100011215867_100010138402 [0,2,0,0,0,0|2,0,0]=4 8965 B14R1.19598 C=CC(C)SCc1c(cccc1Br)F 62a_100011215867_100012145669 [0,2,0,0,0,0|2,0,0]=4 8966 B14R1.19598 C=CC(C)SCc1c(cccc1C)C 62a_100011215867_100000758300 [0,2,0,0,0,0|2,0,0]=4 8967 B14R1.19598 C=CC(C)SCc1c(cccc1Cl)Cl 62a_100011215867_100000187851 [0,2,0,0,0,0|2,0,0]=4 8968 B14R1.19598 C=CC(C)SCc1c(cccc1Cl)F 62a_100011215867_100000187852 [0,2,0,0,0,0|2,0,0]=4 8969 B14R1.19598 C=CC(C)SCc1c(cccc1F)C 62a_100011215867_100009814554 [0,2,0,0,0,0|2,0,0]=4 8970 B14R1.19598 C=CC(C)SCc1c(cccc1F)F 62a_100011215867_100000698325 [0,2,0,0,0,0|2,0,0]=4 8971 B14R1.19598 C=CC(C)SCc1c(cccc1I)Br 62a_100011215867_100010146611 [0,2,0,0,0,0|2,0,0]=4 8972 B14R1.19598 C=CC(C)SCc1c(cccc1I)C 62a_100011215867_100010150146 [0,2,0,0,0,0|2,0,0]=4 8973 B14R1.19598 C=CC(C)SCc1c(cccc1I)F 62a_100011215867_100010149602 [0,2,0,0,0,0|2,0,0]=4 8974 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [1,0,0,1,0,0|2,0,0]=4 8975 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [1,0,0,1,0,0|2,0,0]=4 8976 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 8977 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [1,0,0,1,0,0|2,0,0]=4 8978 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 8979 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [1,0,0,1,0,0|2,0,0]=4 8980 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [1,0,0,1,0,0|2,0,0]=4 8981 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 8982 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [1,0,0,1,0,0|2,0,0]=4 8983 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 8984 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [1,0,0,1,0,0|2,0,0]=4 8985 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [1,0,0,1,0,0|2,0,0]=4 8986 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 8987 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 8988 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [1,0,0,1,0,0|2,0,0]=4 8989 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 8990 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 8991 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [1,0,0,1,0,0|2,0,0]=4 8992 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 8993 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 8994 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 8995 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 8996 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 8997 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|2,0,0]=4 8998 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 8999 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|2,0,0]=4 9000 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 9001 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|2,0,0]=4 9002 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 9003 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|2,0,0]=4 9004 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [1,0,0,1,0,0|1,0,1]=4 9005 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [1,0,0,1,0,0|1,0,1]=4 9006 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [1,0,0,1,0,0|1,0,1]=4 9007 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [1,0,0,1,0,0|1,0,1]=4 9008 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [1,0,0,1,0,0|1,0,1]=4 9009 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [1,0,0,1,0,0|1,0,1]=4 9010 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|0,0,1]=3 9011 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [1,0,0,1,0,0|1,0,1]=4 9012 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|0,0,1]=3 9013 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,1,0|2,0,0]=4 9014 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,1,0|2,0,0]=4 9015 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,1,0|2,0,0]=4 9016 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,1,0|2,0,0]=4 9017 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,1,0|2,0,0]=4 9018 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,1,0|2,0,0]=4 9019 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,1,0|2,0,0]=4 9020 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,1,0|2,0,0]=4 9021 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,1,0|2,0,0]=4 9022 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,1,0|2,0,0]=4 9023 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,1,0|2,0,0]=4 9024 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,0,0,1,0,1|2,0,0]=4 9025 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [0,0,0,1,0,1|1,0,1]=4 9026 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [0,0,0,1,0,1|1,0,1]=4 9027 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [0,0,0,1,0,1|1,0,1]=4 9028 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [0,0,0,1,0,1|1,0,1]=4 9029 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [0,0,0,1,0,1|1,0,1]=4 9030 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [0,0,0,1,0,1|1,0,1]=4 9031 B14R2.49 CC1CC1COCc2ccccc2 34a_100000744939_100015291786 [0,0,0,1,0,1|1,0,1]=4 9032 B14R2.49 CC1CC1COCc2ccccc2 7a_100000744939_100000211182 [0,0,0,1,0,1|1,0,1]=4 9033 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 2230a_100025746932_100000765856 [0,0,0,1,0,1|1,0,1]=4 9034 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 34a_100025746932_100000765856 [0,0,0,1,0,1|1,0,1]=4 9035 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccc2 2230a_100015190264_100000765856 [0,0,0,1,0,1|1,0,1]=4 9036 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,0,0,1,0,1|1,0,1]=4 9037 B14R2.90 CCC1CN(C1)Cc2ccccc2 2230a_100015205115_100015291786 [0,0,0,1,0,1|1,0,1]=4 9038 B14R2.90 CCC1CN(C1)Cc2ccccc2 269982a_100015205115_100000211182 [0,0,0,1,0,1|1,0,1]=4 9039 B14R2.90 CCC1CN(C1)Cc2ccccc2 270004a_100015205115_100015611070 [0,0,0,1,0,1|1,0,1]=4 9040 B14R2.90 COC1CN(C1)Cc2ccccc2 269982a_100000755009_100000211182 [0,0,0,1,0,1|2,0,0]=4 9041 B14R2.90 CSC1CN(C1)Cc2ccccc2 269982a_100016990038_100000211182 [0,0,0,1,0,1|2,0,0]=4 9042 B14R2.90 CSC1CN(C1)Cc2ccccc2 270004a_100016990038_100015611070 [0,0,0,1,0,1|2,0,0]=4 9043 B14R2.90 FCC1CN(C1)Cc2ccccc2 269982a_100010363649_100000211182 [0,0,0,1,0,1|1,0,1]=4 9044 B14R2.90 FCC1CN(C1)Cc2ccccc2 34a_100010363649_100015291786 [0,0,0,1,0,1|1,0,1]=4 9045 B14R2.90 N#CC1CN(C1)Cc2ccccc2 270004a_100015195279_100015611070 [0,0,0,1,0,1|1,0,1]=4 9046 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100000719477_100009874164 [0,0,0,1,0,1|0,0,2]=4 9047 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100009874164_100000041952 [0,0,0,1,0,1|0,0,2]=4 9048 B14R2.90 OCC1CN(C1)Cc2ccccc2 269982a_100016987283_100000211182 [0,0,0,1,0,1|0,0,2]=4 9049 B14R2.90 OCC1CN(C1)Cc2ccccc2 34a_100016987283_100015291786 [0,0,0,1,0,1|0,0,2]=4 9050 B14R2.3019 c1ccc(cc1)CCNC2CCC2 2230a_100000749019_100000765856 [0,0,0,1,0,1|1,0,1]=4 9051 B14R2.3019 c1ccc(cc1)CCNC2CCC2 270004a_100000106460_100000241760 [0,0,0,1,0,1|1,0,1]=4 9052 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000106460_100000749161 [0,0,0,1,0,1|1,0,1]=4 9053 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000749019_100000765856 [0,0,0,1,0,1|1,0,1]=4 9054 B14R2.3019 c1ccc(cc1)CCNC2COC2 2230a_100016991112_100000765856 [0,0,0,1,0,1|0,0,2]=4 9055 B14R2.3019 c1ccc(cc1)CCNC2COC2 34a_100000106460_100009818527 [0,0,0,1,0,1|0,0,2]=4 9056 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000210268_100000749161 [0,0,0,1,0,1|1,0,1]=4 9057 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000748187_100000765856 [0,0,0,1,0,1|1,0,1]=4 9058 B14R2.3019 c1ccc(cc1)CCOC2COC2 34a_100000210268_100009818527 [0,0,0,1,0,1|0,0,2]=4 9059 B14R2.3019 c1ccc(cc1)CCOC2COC2 7a_100000210268_100009818527 [0,0,0,1,0,1|0,0,2]=4 9060 B14R2.3019 c1ccc(cc1)CCOC2CSC2 7a_100000072292_100000765856 [0,0,0,1,0,1|0,1,1]=4 9061 B14R2.3019 c1ccc(cc1)CCSC2CCC2 62a_100000765856_100000749161 [0,0,0,1,0,1|1,0,1]=4 9062 B14R2.3019 c1ccc(cc1)CCSC2COC2 62a_100000765856_100009818527 [0,0,0,1,0,1|0,0,2]=4 9063 B14R2.3019 c1ccc(cc1)CNCC2CCC2 207a_100000738700_100015611070 [0,0,0,1,0,1|1,0,1]=4 9064 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100000738700_100015291786 [0,0,0,1,0,1|1,0,1]=4 9065 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100015324214_100000763275 [0,0,0,1,0,1|1,0,1]=4 9066 B14R2.3019 c1ccc(cc1)CNCC2CCC2 269862a_100015324214_100000753134 [0,0,0,1,0,1|1,0,1]=4 9067 B14R2.3019 c1ccc(cc1)CNCC2CCC2 270004a_100000738700_100015611070 [0,0,0,1,0,1|1,0,1]=4 9068 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100000738700_100015291786 [0,0,0,1,0,1|1,0,1]=4 9069 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100015324214_100000763275 [0,0,0,1,0,1|1,0,1]=4 9070 B14R2.3019 c1ccc(cc1)CNCC2CCO2 2230a_100015324214_100000103362 [0,0,0,1,0,1|2,0,0]=4 9071 B14R2.3019 c1ccc(cc1)CNCC2CCO2 34a_100015324214_100000103362 [0,0,0,1,0,1|2,0,0]=4 9072 B14R2.3019 c1ccc(cc1)CNCC2COC2 207a_100015281925_100015611070 [0,0,0,1,0,1|0,0,2]=4 9073 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015281925_100015291786 [0,0,0,1,0,1|0,0,2]=4 9074 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015324214_100010264016 [0,0,0,1,0,1|0,0,2]=4 9075 B14R2.3019 c1ccc(cc1)CNCC2COC2 270004a_100015281925_100015611070 [0,0,0,1,0,1|0,0,2]=4 9076 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015281925_100015291786 [0,0,0,1,0,1|0,0,2]=4 9077 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015324214_100010264016 [0,0,0,1,0,1|0,0,2]=4 9078 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 207a_100020831831_100015611070 [0,0,0,1,0,1|2,0,0]=4 9079 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 2230a_100020831831_100015291786 [0,0,0,1,0,1|2,0,0]=4 9080 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 270004a_100020831831_100015611070 [0,0,0,1,0,1|2,0,0]=4 9081 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 34a_100020831831_100015291786 [0,0,0,1,0,1|2,0,0]=4 9082 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000210790_100000763275 [0,0,0,1,0,1|1,0,1]=4 9083 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000760304_100015291786 [0,0,0,1,0,1|1,0,1]=4 9084 B14R2.3019 c1ccc(cc1)COCC2CCC2 7a_100000210790_100000763275 [0,0,0,1,0,1|1,0,1]=4 9085 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000039022_100015291786 [0,0,0,1,0,1|2,0,0]=4 9086 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000210790_100000103362 [0,0,0,1,0,1|2,0,0]=4 9087 B14R2.3019 c1ccc(cc1)COCC2CCO2 7a_100000210790_100000103362 [0,0,0,1,0,1|2,0,0]=4 9088 B14R2.3019 c1ccc(cc1)COCC2CNC2 34a_100016987283_100015291786 [0,0,0,1,0,1|1,0,1]=4 9089 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000060846_100015291786 [0,0,0,1,0,1|0,0,2]=4 9090 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000210790_100010264016 [0,0,0,1,0,1|0,0,2]=4 9091 B14R2.3019 c1ccc(cc1)COCC2COC2 7a_100000210790_100010264016 [0,0,0,1,0,1|0,0,2]=4 9092 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000211182_100000763275 [0,0,0,1,0,1|1,0,1]=4 9093 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000763275_100015291786 [0,0,0,1,0,1|1,0,1]=4 9094 B14R2.3019 c1ccc(cc1)CSCC2CCO2 62a_100000103362_100015291786 [0,0,0,1,0,1|2,0,0]=4 9095 B14R2.3019 c1ccc(cc1)CSCC2CCO2 62a_100000211182_100000103362 [0,0,0,1,0,1|2,0,0]=4 9096 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100000211182_100010264016 [0,0,0,1,0,1|0,0,2]=4 9097 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100010264016_100015291786 [0,0,0,1,0,1|0,0,2]=4 9098 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 34a_200011345745_200025704644 [0,0,0,1,0,1|2,0,0]=4 9099 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 7a_200011345745_200025704644 [0,0,0,1,0,1|2,0,0]=4 9100 B14R2.3459 COC1(CCCc2c1cccc2)C 34a_200011345745_200000210301 [0,0,0,1,0,1|2,0,0]=4 9101 B14R2.3459 COC1(CCCc2c1cccc2)C 7a_200011345745_200000210301 [0,0,0,1,0,1|2,0,0]=4 9102 B14R2.4881 CC1(CC1)CNCc2ccccc2 207a_100000766693_100015611070 [0,0,0,1,0,1|1,0,1]=4 9103 B14R2.4881 CC1(CC1)CNCc2ccccc2 2230a_100000766693_100015291786 [0,0,0,1,0,1|1,0,1]=4 9104 B14R2.4881 CC1(CC1)CNCc2ccccc2 270004a_100000766693_100015611070 [0,0,0,1,0,1|1,0,1]=4 9105 B14R2.4881 CC1(CC1)COCc2ccccc2 7a_100000698024_100000211182 [0,0,0,1,0,1|1,0,1]=4 9106 B14R2.4881 CC1(CC1)NCCc2ccccc2 2230a_100000757604_100000765856 [0,0,0,1,0,1|1,0,1]=4 9107 B14R2.4881 CC1(CC1)OCCc2ccccc2 7a_100011725673_100000765856 [0,0,0,1,0,1|1,0,1]=4 9108 B14R2.4881 CC1(CO1)CNCc2ccccc2 34a_100015324214_100000760498 [0,0,0,1,0,1|0,0,2]=4 9109 B14R2.4881 CC1(CO1)COCc2ccccc2 34a_100000210790_100000760498 [0,0,0,1,0,1|0,0,2]=4 9110 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000211182_100000760498 [0,0,0,1,0,1|0,0,2]=4 9111 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000760498_100015291786 [0,0,0,1,0,1|0,0,2]=4 9112 B14R2.35816 C#CC(C)SC1Cc2c1cccc2 62a_200000035995_100009813401 [0,0,0,1,0,1|1,0,1]=4 9113 B14R2.35816 C#C[C@@H](C)OC1Cc2c1cccc2 7a_100009815206_100009813401 [0,0,0,1,0,1|1,0,1]=4 9114 B14R2.35816 C=CC(C)SC1Cc2c1cccc2 62a_100011215867_100009813401 [0,0,0,1,0,1|1,0,0]=3 9115 B14R2.35816 CC(C#N)SC1Cc2c1cccc2 62a_100000703298_100009813401 [0,0,0,1,0,1|1,0,1]=4 9116 B14R2.35816 CC(C#N)SC1Cc2c1cccc2 62a_100009813401_100000703298 [0,0,0,1,0,1|1,0,1]=4 9117 B14R2.35816 CC(CF)OC1Cc2c1cccc2 7a_100016041109_100009813401 [0,0,0,1,0,1|1,0,1]=4 9118 B14R2.35816 CC(CO)SC1Cc2c1cccc2 62a_100012180447_100009813401 [0,0,0,1,0,1|0,0,2]=4 9119 B14R2.35816 CCC(C)OC1Cc2c1cccc2 7a_100000210228_100009813401 [0,0,0,1,0,1|1,0,1]=4 9120 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100000758301_100009813401 [0,0,0,1,0,1|1,0,1]=4 9121 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100009813401_100000758301 [0,0,0,1,0,1|1,0,1]=4 9122 B14R2.35816 COC(C)SC1Cc2c1cccc2 62a_100009813401_100009879195 [0,0,0,1,0,1|2,0,0]=4 9123 B14R2.35816 COC(C)SC1Cc2c1cccc2 62a_100009879195_100009813401 [0,0,0,1,0,1|2,0,0]=4 9124 B14R2.35816 C[C@H](CO)SC1Cc2c1cccc2 62a_100009813401_100016084084 [0,0,0,1,0,1|0,0,2]=4 9125 B14R2.35816 C[C@H](CO)SC1Cc2c1cccc2 62a_100016084084_100009813401 [0,0,0,1,0,1|0,0,2]=4 9126 B14R2.2986 CNC1CC(C1)(C)c2ccccc2 270004a_106832991635_100000062871 [0,1,0,1,0,0|2,0,0]=4 9127 B14R2.2986 CNC1CC(C1)(O)c2ccccc2 2230a_200025715543_200000210301 [0,1,0,1,0,0|2,0,0]=4 9128 B14R2.2986 [13CH3]NC1CC(C1)(O)c2ccccc2 2230a_200025715543_200025704644 [0,1,0,1,0,0|2,0,0]=4 9129 B14R2.100 CNC1CC(C1)c2ccc(cc2)Br 270004a_106832991635_100000741321 [0,1,0,1,0,0|2,0,0]=4 9130 B14R2.100 CNC1CC(C1)c2ccc(cc2)Cl 270004a_106832991635_100000741320 [0,1,0,1,0,0|2,0,0]=4 9131 B14R2.100 COC1CC(C1)c2ccc(cc2)Br 7a_200000751978_200000210301 [0,1,0,1,0,0|2,0,0]=4 9132 B14R2.100 [13CH3]OC1CC(C1)c2ccc(cc2)Br 7a_200000751978_200025704644 [0,1,0,1,0,0|2,0,0]=4 9133 B14R2.134 CNC1CCc2ccc(cc2C1)Br 270004a_106832991635_100010138410 [0,1,0,1,0,0|2,0,0]=4 9134 B14R2.134 CNC1CCc2ccc(cc2C1)Cl 270004a_106832991635_100000117158 [0,1,0,1,0,0|2,0,0]=4 9135 B14R2.134 CNC1CCc2ccc(cc2C1)O 270004a_106832991635_200000081095 [0,1,0,1,0,0|2,0,0]=4 9136 B14R2.134 CN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_200000210301 [0,1,0,1,0,0|2,0,0]=4 9137 B14R2.134 CN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_200000210301 [0,1,0,1,0,0|2,0,0]=4 9138 B14R2.134 [13CH3]N[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_200025704644 [0,1,0,1,0,0|2,0,0]=4 9139 B14R2.134 [13CH3]N[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_200025704644 [0,1,0,1,0,0|2,0,0]=4 9140 B14R2.142 CNC1CCc2cccc(c2C1)Br 270004a_106832991635_100010006498 [0,1,0,1,0,0|2,0,0]=4 9141 B14R2.142 COC1CCc2cccc(c2C1)N 34a_200000100485_200000210301 [0,1,0,1,0,0|2,0,0]=4 9142 B14R2.142 [13CH3]OC1CCc2cccc(c2C1)N 34a_200000100485_200025704644 [0,1,0,1,0,0|2,0,0]=4 9143 B14R2.2332 CNC1CCc2cc(ccc2C1)Br 270004a_106832991635_100000753102 [0,1,0,1,0,0|2,0,0]=4 9144 B14R2.2332 CNC1CCc2cc(ccc2C1)Cl 270004a_106832991635_100000067585 [0,1,0,1,0,0|2,0,0]=4 9145 B14R2.2332 CNC1CCc2cc(ccc2C1)F 270004a_106832991635_100000067110 [0,1,0,1,0,0|2,0,0]=4 9146 B14R2.2332 CNC1CCc2cc(ccc2C1)O 270004a_106832991635_100009852394 [0,1,0,1,0,0|2,0,0]=4 9147 B14R2.2332 COC1CCc2cc(ccc2C1)F 34a_100000081312_200000210301 [0,1,0,1,0,0|2,0,0]=4 9148 B14R2.2332 COC1CCc2cc(ccc2C1)F 7a_100000081312_200000210301 [0,1,0,1,0,0|2,0,0]=4 9149 B14R2.2332 [13CH3]OC1CCc2cc(ccc2C1)F 34a_100000081312_200025704644 [0,1,0,1,0,0|2,0,0]=4 9150 B14R2.2332 [13CH3]OC1CCc2cc(ccc2C1)F 7a_100000081312_200025704644 [0,1,0,1,0,0|2,0,0]=4 9151 B14R2.29369 CN1CCc2cc(ccc2C1=O)O 271570a_203496583355_100010299130 [0,1,0,1,0,0|1,0,0]=3 9152 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210623 [0,1,0,1,0,0|2,0,0]=4 9153 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210623 [0,1,0,1,0,0|2,0,0]=4 9154 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015514636 [0,1,0,1,0,0|2,0,0]=4 9155 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200015260668 [0,1,0,1,0,0|1,0,0]=3 9156 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200015260668 [0,1,0,1,0,0|1,0,0]=3 9157 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_200009817547 [0,1,0,1,0,0|1,0,0]=3 9158 B14R2.41 CCNC1CC(C1)c2ccccc2 270004a_100015525214_100000741317 [0,1,0,1,0,0|1,0,1]=4 9159 B14R2.41 CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210202 [0,1,0,1,0,0|1,0,1]=4 9160 B14R2.41 O=CCN1CC(C1)c2cccnc2 269982a_100015183634_200015260668 [0,1,0,1,0,0|2,0,0]=4 9161 B14R2.41 O=CCN1CC(C1)c2ccncc2 269982a_100015185986_200015260668 [0,1,0,1,0,0|2,0,0]=4 9162 B14R2.101 C1=CCC(C1)NCc2ccccc2 207a_100015188752_100015611070 [0,1,0,1,0,0|2,0,0]=4 9163 B14R2.101 C1=CCC(C1)NCc2ccccc2 2230a_100015188752_100015291786 [0,1,0,1,0,0|2,0,0]=4 9164 B14R2.101 C1=CCC(C1)NCc2ccccc2 270004a_100015188752_100015611070 [0,1,0,1,0,0|2,0,0]=4 9165 B14R2.101 C1=CCN(C1)CCc2ccccc2 269982a_100015195280_100000765856 [0,1,0,1,0,0|2,0,0]=4 9166 B14R2.112 C=CCN1CCc2ccccc2C1 2230a_100000188457_100000210623 [0,1,0,1,0,0|2,0,0]=4 9167 B14R2.112 C=CCN1CCc2ccccc2C1 269982a_100000188457_100000210623 [0,1,0,1,0,0|2,0,0]=4 9168 B14R2.112 C=CCN1CCc2ccccc2C1 34a_100000188457_100015514636 [0,1,0,1,0,0|2,0,0]=4 9169 B14R2.112 CCNC1CCc2ccccc2C1 2230a_100000748446_100000210202 [0,1,0,1,0,0|1,0,1]=4 9170 B14R2.112 CCNC1CCc2ccccc2C1 270004a_100015525214_100000212018 [0,1,0,1,0,0|1,0,1]=4 9171 B14R2.112 CCNC1CCc2ccccc2C1 34a_100000748446_100000210202 [0,1,0,1,0,0|1,0,1]=4 9172 B14R2.112 CCOC1CCc2ccccc2C1 34a_100011216300_100000210202 [0,1,0,1,0,0|1,0,1]=4 9173 B14R2.112 CCOC1CCc2ccccc2C1 7a_100011216300_100000210202 [0,1,0,1,0,0|1,0,1]=4 9174 B14R2.112 FCNC1CCc2ccccc2C1 34a_100000748446_100015361967 [0,1,0,1,0,0|1,0,1]=4 9175 B14R2.112 FCOC1CCc2ccccc2C1 34a_100011216300_100015361967 [0,1,0,1,0,0|1,0,1]=4 9176 B14R2.112 FCOC1CCc2ccccc2C1 7a_100011216300_100015361967 [0,1,0,1,0,0|1,0,1]=4 9177 B14R2.112 O=CCN1CCc2ccccc2C1 2230a_100000188457_200015260668 [0,1,0,1,0,0|1,0,0]=3 9178 B14R2.112 O=CCN1CCc2ccccc2C1 269982a_100000188457_200015260668 [0,1,0,1,0,0|1,0,0]=3 9179 B14R2.112 O=CCN1CCc2ccccc2C1 34a_100000188457_200009817547 [0,1,0,1,0,0|1,0,0]=3 9180 B14R2.112 O=CCN1CCc2cccnc2C1 2230a_100015206102_200015260668 [0,1,0,1,0,0|2,0,0]=4 9181 B14R2.112 O=CCN1CCc2cccnc2C1 269982a_100015206102_200015260668 [0,1,0,1,0,0|2,0,0]=4 9182 B14R2.112 O=CCN1CCc2ccncc2C1 2230a_100015190008_200015260668 [0,1,0,1,0,0|2,0,0]=4 9183 B14R2.112 O=CCN1CCc2ccncc2C1 269982a_100015190008_200015260668 [0,1,0,1,0,0|2,0,0]=4 9184 B14R2.112 O=CCN1CCc2cnccc2C1 2230a_100020645890_200015260668 [0,1,0,1,0,0|2,0,0]=4 9185 B14R2.112 O=CCN1CCc2cnccc2C1 269982a_100020645890_200015260668 [0,1,0,1,0,0|2,0,0]=4 9186 B14R2.112 O=CCN1CCc2ncccc2C1 2230a_100000699647_200015260668 [0,1,0,1,0,0|2,0,0]=4 9187 B14R2.112 O=CCN1CCc2ncccc2C1 269982a_100000699647_200015260668 [0,1,0,1,0,0|2,0,0]=4 9188 B14R2.203 CNC1c2ccccc2CCC1C 269862a_106832991636_100000696181 [0,1,0,1,0,0|1,0,1]=4 9189 B14R2.436 C=C1CC(C1)NCc2ccccc2 207a_100132301982_100015611070 [0,1,0,1,0,0|2,0,0]=4 9190 B14R2.436 C=C1CC(C1)NCc2ccccc2 2230a_100132301982_100015291786 [0,1,0,1,0,0|2,0,0]=4 9191 B14R2.436 C=C1CC(C1)NCc2ccccc2 270004a_100132301982_100015611070 [0,1,0,1,0,0|2,0,0]=4 9192 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,1,0,1,0,0|1,0,0]=3 9193 B14R2.436 O=C1CC(C1)COc2cccnc2 7a_100000210849_100009874392 [0,1,0,1,0,0|2,0,0]=4 9194 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100000719477_100009874392 [0,1,0,1,0,0|1,0,0]=3 9195 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100009874392_100000041952 [0,1,0,1,0,0|1,0,0]=3 9196 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100009874392_100011216584 [0,1,0,1,0,0|2,0,0]=4 9197 B14R2.436 O=C1CC(C1)CSc2ccccn2 62a_100011216584_100009874392 [0,1,0,1,0,0|2,0,0]=4 9198 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100000210063_100009874392 [0,1,0,1,0,0|2,0,0]=4 9199 B14R2.436 O=C1CC(C1)CSc2cccnc2 62a_100009874392_100000210063 [0,1,0,1,0,0|2,0,0]=4 9200 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100000728582_100009874392 [0,1,0,1,0,0|2,0,0]=4 9201 B14R2.436 O=C1CC(C1)CSc2ccncc2 62a_100009874392_100000728582 [0,1,0,1,0,0|2,0,0]=4 9202 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [0,1,0,1,0,0|1,0,0]=3 9203 B14R2.436 O=C1CC(C1)SCc2ccccn2 62a_100009894365_100000721315 [0,1,0,1,0,0|2,0,0]=4 9204 B14R2.436 O=C1CC(C1)SCc2cccnc2 62a_100009894365_100000741622 [0,1,0,1,0,0|2,0,0]=4 9205 B14R2.436 O=C1CC(C1)SCc2ccncc2 62a_100009894365_100015193705 [0,1,0,1,0,0|2,0,0]=4 9206 B14R2.9718 CC1(CCc2c1cccc2)OCF 34a_100000685031_100015361967 [0,1,0,1,0,0|1,0,1]=4 9207 B14R2.9718 CC1(CCc2c1cccc2)OCF 7a_100000685031_100015361967 [0,1,0,1,0,0|1,0,1]=4 9208 B14R2.9718 CCOC1(CCc2c1cccc2)C 34a_100000685031_100000210202 [0,1,0,1,0,0|1,0,1]=4 9209 B14R2.9718 CCOC1(CCc2c1cccc2)C 7a_100000685031_100000210202 [0,1,0,1,0,0|1,0,1]=4 9210 B14R2.33858 C=CCN(C)C1Cc2c1cccc2 269982a_100000225617_100009813401 [0,1,0,1,0,0|2,0,0]=4 9211 B14R2.972 C=CC(C)N1Cc2ccccc2C1 269982a_100000752595_100011215867 [0,1,0,1,0,0|2,0,0]=4 9212 B14R2.972 CNC(C)C1Cc2ccccc2C1 269862a_106832991636_100012183946 [0,1,0,1,0,0|2,0,0]=4 9213 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,1,0,1,0,0|1,0,0]=3 9214 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,1,0,1,0,0|1,0,0]=3 9215 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,1,0,1,0,0|1,0,0]=3 9216 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,1,0,1,0,0|1,0,0]=3 9217 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,1,0,1,0,0|0,0,0]=2 9218 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 11a_100015183634_100015343762 [0,1,0,1,0,0|2,0,0]=4 9219 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 240690a_100015183634_100015343762 [0,1,0,1,0,0|2,0,0]=4 9220 B14R2.779 CC(=O)N1CC(C1)c2cccnc2 527a_100015183634_100103153847 [0,1,0,1,0,0|2,0,0]=4 9221 B14R2.779 CC(=O)N1CC(C1)c2ccncc2 240690a_100015185986_100015343762 [0,1,0,1,0,0|2,0,0]=4 9222 B14R2.779 CC(=O)N1CC(C1)c2ccncc2 527a_100015185986_100103153847 [0,1,0,1,0,0|2,0,0]=4 9223 B14R2.779 CN(C)C1CC(C1)c2ccccc2 270004a_100102631434_100000741317 [0,1,0,1,0,0|2,0,0]=4 9224 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,1,0,1,0,0|0,0,0]=2 9225 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,1,0,1,0,0|0,0,0]=2 9226 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,1,0,1,0,0|1,0,0]=3 9227 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,1,0,1,0,0|1,0,0]=3 9228 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,1,0,1,0,0|2,0,0]=4 9229 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,1,0,1,0,0|1,0,0]=3 9230 B14R2.781 CC(=O)N1CCc2ccccc2C1 11a_100000188457_100015343762 [0,1,0,1,0,0|1,0,0]=3 9231 B14R2.781 CC(=O)N1CCc2ccccc2C1 1626a_100000188457_100015343762 [0,1,0,1,0,0|1,0,0]=3 9232 B14R2.781 CC(=O)N1CCc2ccccc2C1 240690a_100000188457_100015343762 [0,1,0,1,0,0|1,0,0]=3 9233 B14R2.781 CC(=O)N1CCc2ccccc2C1 527a_100000188457_100103153847 [0,1,0,1,0,0|1,0,0]=3 9234 B14R2.781 CC(=O)N1CCc2cccnc2C1 11a_100015206102_100015343762 [0,1,0,1,0,0|2,0,0]=4 9235 B14R2.781 CC(=O)N1CCc2cccnc2C1 1626a_100015206102_100015343762 [0,1,0,1,0,0|2,0,0]=4 9236 B14R2.781 CC(=O)N1CCc2cccnc2C1 240690a_100015206102_100015343762 [0,1,0,1,0,0|2,0,0]=4 9237 B14R2.781 CC(=O)N1CCc2cccnc2C1 527a_100015206102_100103153847 [0,1,0,1,0,0|2,0,0]=4 9238 B14R2.781 CC(=O)N1CCc2ccncc2C1 11a_100015190008_100015343762 [0,1,0,1,0,0|2,0,0]=4 9239 B14R2.781 CC(=O)N1CCc2ccncc2C1 240690a_100015190008_100015343762 [0,1,0,1,0,0|2,0,0]=4 9240 B14R2.781 CC(=O)N1CCc2ccncc2C1 527a_100015190008_100103153847 [0,1,0,1,0,0|2,0,0]=4 9241 B14R2.781 CC(=O)N1CCc2cnccc2C1 11a_100020645890_100015343762 [0,1,0,1,0,0|2,0,0]=4 9242 B14R2.781 CC(=O)N1CCc2cnccc2C1 240690a_100020645890_100015343762 [0,1,0,1,0,0|2,0,0]=4 9243 B14R2.781 CC(=O)N1CCc2cnccc2C1 527a_100020645890_100103153847 [0,1,0,1,0,0|2,0,0]=4 9244 B14R2.781 CC(=O)N1CCc2ncccc2C1 11a_100000699647_100015343762 [0,1,0,1,0,0|2,0,0]=4 9245 B14R2.781 CC(=O)N1CCc2ncccc2C1 240690a_100000699647_100015343762 [0,1,0,1,0,0|2,0,0]=4 9246 B14R2.781 CC(=O)N1CCc2ncccc2C1 527a_100000699647_100103153847 [0,1,0,1,0,0|2,0,0]=4 9247 B14R2.781 CN(C)C1CCc2ccccc2C1 270004a_100102631434_100000212018 [0,1,0,1,0,0|2,0,0]=4 9248 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,1,0,1,0,0|0,0,0]=2 9249 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,1,0,1,0,0|1,0,0]=3 9250 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,1,0,1,0,0|1,0,0]=3 9251 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,1,0,1,0,0|2,0,0]=4 9252 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,1,0,1,0,0|1,0,0]=3 9253 B14R2.92 CNC1CCc2ccccc2C1=O 2230a_106832991635_100000229917 [0,1,0,1,0,0|0,0,0]=2 9254 B14R2.92 CNC1CCc2ccccc2C1=O 34a_100102657272_100000229917 [0,1,0,1,0,0|0,0,0]=2 9255 B14R2.92 COC1CCc2ccccc2C1=O 34a_100138415774_100000229917 [0,1,0,1,0,0|0,0,0]=2 9256 B14R2.92 CSC1CCc2ccccc2C1=O 62a_100000229917_200000210301 [0,1,0,1,0,0|0,0,0]=2 9257 B14R2.92 CSC1CCc2ccccc2C1=O 62a_200000210301_100000229917 [0,1,0,1,0,0|0,0,0]=2 9258 B14R2.92 [13CH3]SC1CCc2ccccc2C1=O 62a_100000229917_200025704644 [0,1,0,1,0,0|0,0,0]=2 9259 B14R2.92 [13CH3]SC1CCc2ccccc2C1=O 62a_200025704644_100000229917 [0,1,0,1,0,0|0,0,0]=2 9260 B14R2.93 CNC1CCc2ccccc2CC1 270004a_106832991635_100009869843 [0,1,0,1,0,0|1,0,1]=4 9261 B14R2.1801 CNC1CCc2c(cccc2C1)Br 270004a_106832991635_100010138409 [0,1,0,1,0,0|2,0,0]=4 9262 B14R2.8038 CN1CCc2c(cccc2C1=O)O 271570a_203496583355_100010269134 [0,1,0,1,0,0|1,0,0]=3 9263 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,0,0,0,1,0|2,0,0]=4 9264 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,0,0,0,1,0|2,0,0]=4 9265 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,0,0,0,1,0|2,0,0]=4 9266 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,0,0,0,1,0|2,0,0]=4 9267 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,0,0,0,1,0|2,0,0]=4 9268 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,0,0,0,1,0|2,0,0]=4 9269 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,0,0,0,1,0|2,0,0]=4 9270 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,0,0,0,1,0|2,0,0]=4 9271 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,0,0,0,1,0|2,0,0]=4 9272 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,0,0,0,1,0|2,0,0]=4 9273 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,0,0,0,1,0|2,0,0]=4 9274 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,0,0,0,1,0|2,0,0]=4 9275 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,0,0,0,1,0|2,0,0]=4 9276 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,1,0|1,0,1]=4 9277 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,1,0|0,0,1]=3 9278 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,1,0|1,0,1]=4 9279 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,1,0|1,0,1]=4 9280 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,1,0|1,0,1]=4 9281 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,1,0|1,0,1]=4 9282 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,1,0|1,0,1]=4 9283 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,1,0|1,0,1]=4 9284 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,1,0|1,0,1]=4 9285 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,1,0|1,0,1]=4 9286 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,1,0|1,0,1]=4 9287 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,1,0|1,0,1]=4 9288 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,1,0|1,0,1]=4 9289 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,1,0|1,0,1]=4 9290 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,1,0|1,0,1]=4 9291 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,1,0|1,0,1]=4 9292 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,1,0|1,0,1]=4 9293 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,1,0|1,0,1]=4 9294 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,1,0|1,0,1]=4 9295 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,1,0|1,0,1]=4 9296 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,1,0|1,0,1]=4 9297 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,1,0|1,0,1]=4 9298 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,1,0|1,0,1]=4 9299 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,1,0|1,0,1]=4 9300 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,1,0|1,0,1]=4 9301 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,1,0|1,0,1]=4 9302 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,1,0|1,0,1]=4 9303 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,1,0|1,0,1]=4 9304 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,1,0|1,0,1]=4 9305 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,1,0|1,0,1]=4 9306 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,1,0|1,0,1]=4 9307 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,1,0|1,0,1]=4 9308 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [1,0,0,0,1,0|1,0,1]=4 9309 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [1,0,0,0,1,0|1,0,1]=4 9310 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,1,0|1,0,1]=4 9311 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,1,0|1,0,1]=4 9312 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,1,0|1,0,1]=4 9313 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,1,0|1,0,1]=4 9314 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,1,0|1,0,1]=4 9315 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [1,0,0,0,1,0|1,0,1]=4 9316 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,2,0|2,0,0]=4 9317 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,2,0|2,0,0]=4 9318 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,2,0|2,0,0]=4 9319 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,2,0|2,0,0]=4 9320 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,2,0|2,0,0]=4 9321 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,2,0|2,0,0]=4 9322 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,2,0|2,0,0]=4 9323 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,2,0|2,0,0]=4 9324 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,2,0|2,0,0]=4 9325 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,2,0|2,0,0]=4 9326 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,2,0|2,0,0]=4 9327 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,2,0|2,0,0]=4 9328 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,2,0|2,0,0]=4 9329 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,2,0|2,0,0]=4 9330 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,2,0|2,0,0]=4 9331 B14R1.716 C#CC(C)NCCCc1ccccc1 2230a_100000707721_100000211621 [0,0,0,0,0,2|1,0,1]=4 9332 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000211184_200000035995 [0,0,0,0,0,2|1,0,1]=4 9333 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000707721_100000211621 [0,0,0,0,0,2|1,0,1]=4 9334 B14R1.716 C#CC(C)NCCOc1ccccc1 2230a_100000707721_100000184471 [0,0,0,0,0,2|1,0,1]=4 9335 B14R1.716 C#CC(C)NCCOc1ccccc1 270004a_100000707721_100000758736 [0,0,0,0,0,2|1,0,1]=4 9336 B14R1.716 C#CC(C)NCCOc1ccccc1 34a_100000174943_200000035995 [0,0,0,0,0,2|1,0,1]=4 9337 B14R1.716 C#CC(C)NCCOc1ccccc1 34a_100000707721_100000184471 [0,0,0,0,0,2|1,0,1]=4 9338 B14R1.716 C#CC(C)NCCSc1ccccc1 2230a_100000707721_100000246102 [0,0,0,0,0,2|1,0,1]=4 9339 B14R1.716 C#CC(C)NCCSc1ccccc1 34a_100000707721_100000246102 [0,0,0,0,0,2|1,0,1]=4 9340 B14R1.716 C#CC(C)NCOCc1ccccc1 2230a_100000707721_100000763385 [0,0,0,0,0,2|1,0,1]=4 9341 B14R1.716 C#CC(C)NCOCc1ccccc1 34a_100000707721_100000763385 [0,0,0,0,0,2|1,0,1]=4 9342 B14R1.716 C#CC(C)NCSCc1ccccc1 2230a_100000707721_200011217039 [0,0,0,0,0,2|1,0,1]=4 9343 B14R1.716 C#CC(C)NCSCc1ccccc1 34a_100000707721_200011217039 [0,0,0,0,0,2|1,0,1]=4 9344 B14R1.716 C#CC(C)OCCCc1ccccc1 34a_100000210828_200000035995 [0,0,0,0,0,2|1,0,1]=4 9345 B14R1.716 C#CC(C)OCCNc1ccccc1 34a_100000211345_200000035995 [0,0,0,0,0,2|1,0,1]=4 9346 B14R1.716 C#CC(C)OCCOc1ccccc1 34a_100000210260_200000035995 [0,0,0,0,0,2|1,0,1]=4 9347 B14R1.716 C#CC(C)SCCCc1ccccc1 62a_200000035995_100000211621 [0,0,0,0,0,2|1,0,1]=4 9348 B14R1.716 C#CC(C)SCCOc1ccccc1 62a_200000035995_100000184471 [0,0,0,0,0,2|1,0,1]=4 9349 B14R1.716 C#CC(C)SCCSc1ccccc1 62a_200000035995_100000246102 [0,0,0,0,0,2|1,0,1]=4 9350 B14R1.716 C#CC(C)SCOCc1ccccc1 62a_200000035995_100000763385 [0,0,0,0,0,2|1,0,1]=4 9351 B14R1.716 C#CC(C)SCSCc1ccccc1 62a_200000035995_200011217039 [0,0,0,0,0,2|1,0,1]=4 9352 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 34a_100009815206_100000211621 [0,0,0,0,0,2|1,0,1]=4 9353 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 7a_100009815206_100000211621 [0,0,0,0,0,2|1,0,1]=4 9354 B14R1.716 C#C[C@@H](C)OCCOc1ccccc1 34a_100009815206_100000184471 [0,0,0,0,0,2|1,0,1]=4 9355 B14R1.716 C#C[C@@H](C)OCCOc1ccccc1 7a_100009815206_100000184471 [0,0,0,0,0,2|1,0,1]=4 9356 B14R1.716 C#C[C@@H](C)OCCSc1ccccc1 34a_100009815206_100000246102 [0,0,0,0,0,2|1,0,1]=4 9357 B14R1.716 C#C[C@@H](C)OCCSc1ccccc1 7a_100009815206_100000246102 [0,0,0,0,0,2|1,0,1]=4 9358 B14R1.716 C#C[C@@H](C)OCOCc1ccccc1 34a_100009815206_100000763385 [0,0,0,0,0,2|1,0,1]=4 9359 B14R1.716 C#C[C@@H](C)OCSCc1ccccc1 34a_100009815206_200011217039 [0,0,0,0,0,2|1,0,1]=4 9360 B14R1.716 C=CC(=NNCCc1ccccc1)C 4a_100000740470_200015361842 [0,0,0,0,0,2|1,0,1]=4 9361 B14R1.716 C=CC(C)COCCc1ccccc1 34a_100011215527_100000765856 [0,0,0,0,0,2|1,0,0]=3 9362 B14R1.716 C=CC(C)COCCc1ccccc1 7a_100011215527_100000765856 [0,0,0,0,0,2|1,0,0]=3 9363 B14R1.716 C=CC(C)COCCc1ccccn1 7a_100011215527_100015183660 [0,0,0,0,0,2|2,0,0]=4 9364 B14R1.716 C=CC(C)COCCc1cccnc1 7a_100011215527_200011713674 [0,0,0,0,0,2|2,0,0]=4 9365 B14R1.716 C=CC(C)COCCc1ccncc1 7a_100011215527_100000723409 [0,0,0,0,0,2|2,0,0]=4 9366 B14R1.716 C=CC(C)OC/C=C/c1ccccc1 34a_100000695699_100016265936 [0,0,0,0,0,2|1,0,1]=4 9367 B14R1.716 C=CC(C)OCC#Cc1ccccc1 34a_100000695699_100011352542 [0,0,0,0,0,2|1,0,1]=4 9368 B14R1.716 C=CC(C)OCCCc1ccccc1 34a_100000695699_100000211621 [0,0,0,0,0,2|1,0,0]=3 9369 B14R1.716 C=CC(C)OCCOc1ccccc1 34a_100000695699_100000184471 [0,0,0,0,0,2|1,0,0]=3 9370 B14R1.716 C=CC(C)OCCSc1ccccc1 34a_100000695699_100000246102 [0,0,0,0,0,2|1,0,0]=3 9371 B14R1.716 C=CC(C)OCOCc1ccccc1 34a_100000695699_100000763385 [0,0,0,0,0,2|1,0,0]=3 9372 B14R1.716 C=CC(C)OCSCc1ccccc1 34a_100000695699_200011217039 [0,0,0,0,0,2|1,0,0]=3 9373 B14R1.716 C=CC(C)SC/C=C/c1ccccc1 62a_100011215867_100016265936 [0,0,0,0,0,2|1,0,1]=4 9374 B14R1.716 C=CC(C)SCC#Cc1ccccc1 62a_100011215867_100011352542 [0,0,0,0,0,2|1,0,1]=4 9375 B14R1.716 C=CC(C)SCCCc1ccccc1 62a_100011215867_100000211621 [0,0,0,0,0,2|1,0,0]=3 9376 B14R1.716 C=CC(C)SCCOc1ccccc1 62a_100011215867_100000184471 [0,0,0,0,0,2|1,0,0]=3 9377 B14R1.716 C=CC(C)SCCSc1ccccc1 62a_100011215867_100000246102 [0,0,0,0,0,2|1,0,0]=3 9378 B14R1.716 C=CC(C)SCOCc1ccccc1 62a_100011215867_100000763385 [0,0,0,0,0,2|1,0,0]=3 9379 B14R1.716 C=CC(C)SCSCc1ccccc1 62a_100011215867_200011217039 [0,0,0,0,0,2|1,0,0]=3 9380 B14R1.716 C=CC(O)CNCCc1ccccc1 2230a_100000106460_100000730141 [0,0,0,0,0,2|2,0,0]=4 9381 B14R1.716 C=CC(O)CNCCc1ccccc1 34a_100000106460_100000730141 [0,0,0,0,0,2|2,0,0]=4 9382 B14R1.716 C=CC(O)COCCc1ccccc1 34a_100000210268_100000730141 [0,0,0,0,0,2|2,0,0]=4 9383 B14R1.716 C=CC(O)COCCc1ccccc1 7a_100000210268_100000730141 [0,0,0,0,0,2|2,0,0]=4 9384 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000730141_100011218657 [0,0,0,0,0,2|2,0,0]=4 9385 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000765856_100000730141 [0,0,0,0,0,2|2,0,0]=4 9386 B14R1.716 C=CC(O)CSCSc1ccccc1 62a_100000730141_100011218342 [0,0,0,0,0,2|2,0,0]=4 9387 B14R1.716 C=CC(O)CSCSc1ccccc1 62a_100011218342_100000730141 [0,0,0,0,0,2|2,0,0]=4 9388 B14R1.716 C=C[C@H](N)COCCc1ccccc1 34a_100016989147_100000765856 [0,0,0,0,0,2|2,0,0]=4 9389 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000211184_100000184139 [0,0,0,0,0,2|1,0,1]=4 9390 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000737613_100000211621 [0,0,0,0,0,2|1,0,1]=4 9391 B14R1.716 CC(C#N)NCCOc1ccccc1 2230a_100000174943_100000184139 [0,0,0,0,0,2|1,0,1]=4 9392 B14R1.716 CC(C#N)NCCOc1ccccc1 2230a_100000737613_100000184471 [0,0,0,0,0,2|1,0,1]=4 9393 B14R1.716 CC(C#N)NCCSc1ccccc1 2230a_100000189519_100000184139 [0,0,0,0,0,2|1,0,1]=4 9394 B14R1.716 CC(C#N)NCCSc1ccccc1 2230a_100000737613_100000246102 [0,0,0,0,0,2|1,0,1]=4 9395 B14R1.716 CC(C#N)NCOCc1ccccc1 2230a_100000737613_100000763385 [0,0,0,0,0,2|1,0,1]=4 9396 B14R1.716 CC(C#N)NCSCc1ccccc1 2230a_100000737613_200011217039 [0,0,0,0,0,2|1,0,1]=4 9397 B14R1.716 CC(C#N)OCCCc1ccccc1 34a_100011218135_100000211621 [0,0,0,0,0,2|1,0,1]=4 9398 B14R1.716 CC(C#N)OCCCc1ccccc1 7a_100000210828_100000703298 [0,0,0,0,0,2|1,0,1]=4 9399 B14R1.716 CC(C#N)OCCOc1ccccc1 34a_100011218135_100000184471 [0,0,0,0,0,2|1,0,1]=4 9400 B14R1.716 CC(C#N)OCCOc1ccccc1 7a_100000210260_100000703298 [0,0,0,0,0,2|1,0,1]=4 9401 B14R1.716 CC(C#N)OCCSc1ccccc1 34a_100011218135_100000246102 [0,0,0,0,0,2|1,0,1]=4 9402 B14R1.716 CC(C#N)OCCSc1ccccc1 7a_100000230494_100000703298 [0,0,0,0,0,2|1,0,1]=4 9403 B14R1.716 CC(C#N)OCOCc1ccccc1 34a_100011218135_100000763385 [0,0,0,0,0,2|1,0,1]=4 9404 B14R1.716 CC(C#N)OCSCc1ccccc1 34a_100011218135_200011217039 [0,0,0,0,0,2|1,0,1]=4 9405 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000211621_100000703298 [0,0,0,0,0,2|1,0,1]=4 9406 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000703298_100000211621 [0,0,0,0,0,2|1,0,1]=4 9407 B14R1.716 CC(C#N)SCCOc1ccccc1 62a_100000184471_100000703298 [0,0,0,0,0,2|1,0,1]=4 9408 B14R1.716 CC(C#N)SCCOc1ccccc1 62a_100000703298_100000184471 [0,0,0,0,0,2|1,0,1]=4 9409 B14R1.716 CC(C#N)SCCSc1ccccc1 62a_100000246102_100000703298 [0,0,0,0,0,2|1,0,1]=4 9410 B14R1.716 CC(C#N)SCCSc1ccccc1 62a_100000703298_100000246102 [0,0,0,0,0,2|1,0,1]=4 9411 B14R1.716 CC(C#N)SCOCc1ccccc1 62a_100000703298_100000763385 [0,0,0,0,0,2|1,0,1]=4 9412 B14R1.716 CC(C#N)SCOCc1ccccc1 62a_100000763385_100000703298 [0,0,0,0,0,2|1,0,1]=4 9413 B14R1.716 CC(C#N)SCSCc1ccccc1 62a_100000703298_200011217039 [0,0,0,0,0,2|1,0,1]=4 9414 B14R1.716 CC(C#N)SCSCc1ccccc1 62a_200011217039_100000703298 [0,0,0,0,0,2|1,0,1]=4 9415 B14R1.716 CC(CF)OCCCc1ccccc1 34a_100016041109_100000211621 [0,0,0,0,0,2|1,0,1]=4 9416 B14R1.716 CC(CF)OCCCc1ccccc1 7a_100016041109_100000211621 [0,0,0,0,0,2|1,0,1]=4 9417 B14R1.716 CC(CF)OCCOc1ccccc1 34a_100016041109_100000184471 [0,0,0,0,0,2|1,0,1]=4 9418 B14R1.716 CC(CF)OCCOc1ccccc1 7a_100016041109_100000184471 [0,0,0,0,0,2|1,0,1]=4 9419 B14R1.716 CC(CF)OCCSc1ccccc1 34a_100016041109_100000246102 [0,0,0,0,0,2|1,0,1]=4 9420 B14R1.716 CC(CF)OCCSc1ccccc1 7a_100016041109_100000246102 [0,0,0,0,0,2|1,0,1]=4 9421 B14R1.716 CC(CF)OCOCc1ccccc1 34a_100016041109_100000763385 [0,0,0,0,0,2|1,0,1]=4 9422 B14R1.716 CC(CF)OCSCc1ccccc1 34a_100016041109_200011217039 [0,0,0,0,0,2|1,0,1]=4 9423 B14R1.716 CC(CN)COCCc1ccccc1 34a_100000744482_100000765856 [0,0,0,0,0,2|1,0,1]=4 9424 B14R1.716 CC(CN)OCCCc1ccccc1 34a_100000210904_100000211621 [0,0,0,0,0,2|1,0,1]=4 9425 B14R1.716 CC(CN)OCCOc1ccccc1 34a_100000210904_100000184471 [0,0,0,0,0,2|1,0,1]=4 9426 B14R1.716 CC(CN)OCCSc1ccccc1 34a_100000210904_100000246102 [0,0,0,0,0,2|1,0,1]=4 9427 B14R1.716 CC(CN)OCOCc1ccccc1 34a_100000210904_100000763385 [0,0,0,0,0,2|1,0,1]=4 9428 B14R1.716 CC(CN)OCSCc1ccccc1 34a_100000210904_200011217039 [0,0,0,0,0,2|1,0,1]=4 9429 B14R1.716 CC(CO)CCNCc1ccccc1 207a_106354213184_100015611070 [0,0,0,0,0,2|0,0,2]=4 9430 B14R1.716 CC(CO)CCNCc1ccccc1 2230a_106354213184_100015291786 [0,0,0,0,0,2|0,0,2]=4 9431 B14R1.716 CC(CO)CCNCc1ccccc1 270004a_106354213184_100015611070 [0,0,0,0,0,2|0,0,2]=4 9432 B14R1.716 CC(CO)CCNCc1ccccc1 34a_106354213184_100015291786 [0,0,0,0,0,2|0,0,2]=4 9433 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [0,0,0,0,0,2|0,0,2]=4 9434 B14R1.716 CC(CO)NCCCc1ccccc1 2230a_100000211184_100012180447 [0,0,0,0,0,2|0,0,2]=4 9435 B14R1.716 CC(CO)NCCCc1ccccc1 34a_100000211184_100012180447 [0,0,0,0,0,2|0,0,2]=4 9436 B14R1.716 CC(CO)NCCOc1ccccc1 2230a_100000174943_100012180447 [0,0,0,0,0,2|0,0,2]=4 9437 B14R1.716 CC(CO)NCCOc1ccccc1 34a_100000174943_100012180447 [0,0,0,0,0,2|0,0,2]=4 9438 B14R1.716 CC(CO)NCCSc1ccccc1 2230a_100000189519_100012180447 [0,0,0,0,0,2|0,0,2]=4 9439 B14R1.716 CC(CO)OCCCc1ccccc1 34a_100000210828_100012180447 [0,0,0,0,0,2|0,0,2]=4 9440 B14R1.716 CC(CO)OCCCc1ccccc1 7a_100000210828_100012180447 [0,0,0,0,0,2|0,0,2]=4 9441 B14R1.716 CC(CO)OCCNc1ccccc1 34a_100000211345_100012180447 [0,0,0,0,0,2|0,0,2]=4 9442 B14R1.716 CC(CO)OCCOc1ccccc1 34a_100000210260_100012180447 [0,0,0,0,0,2|0,0,2]=4 9443 B14R1.716 CC(CO)OCCOc1ccccc1 7a_100000210260_100012180447 [0,0,0,0,0,2|0,0,2]=4 9444 B14R1.716 CC(CO)OCCSc1ccccc1 7a_100000230494_100012180447 [0,0,0,0,0,2|0,0,2]=4 9445 B14R1.716 CC(CO)SCCCc1ccccc1 62a_100012180447_100000211621 [0,0,0,0,0,2|0,0,2]=4 9446 B14R1.716 CC(CO)SCCOc1ccccc1 62a_100012180447_100000184471 [0,0,0,0,0,2|0,0,2]=4 9447 B14R1.716 CC(CO)SCCSc1ccccc1 62a_100012180447_100000246102 [0,0,0,0,0,2|0,0,2]=4 9448 B14R1.716 CC(CO)SCOCc1ccccc1 62a_100012180447_100000763385 [0,0,0,0,0,2|0,0,2]=4 9449 B14R1.716 CC(CO)SCSCc1ccccc1 62a_100012180447_200011217039 [0,0,0,0,0,2|0,0,2]=4 9450 B14R1.716 CCC(C)CCNCc1ccccc1 207a_100020591266_100015611070 [0,0,0,0,0,2|1,0,1]=4 9451 B14R1.716 CCC(C)CCNCc1ccccc1 2230a_100020591266_100015291786 [0,0,0,0,0,2|1,0,1]=4 9452 B14R1.716 CCC(C)CCNCc1ccccc1 270004a_100020591266_100015611070 [0,0,0,0,0,2|1,0,1]=4 9453 B14R1.716 CCC(C)CCOCc1ccccc1 7a_100011215188_100000211182 [0,0,0,0,0,2|1,0,1]=4 9454 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [0,0,0,0,0,2|1,0,1]=4 9455 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [0,0,0,0,0,2|1,0,1]=4 9456 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [0,0,0,0,0,2|1,0,1]=4 9457 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [0,0,0,0,0,2|1,0,1]=4 9458 B14R1.716 CCC(C)CNCSc1ccccc1 2230a_100020588543_100011218342 [0,0,0,0,0,2|1,0,1]=4 9459 B14R1.716 CCC(C)COCCc1ccccc1 34a_100000210268_100000748023 [0,0,0,0,0,2|1,0,1]=4 9460 B14R1.716 CCC(C)COCCc1ccccc1 7a_100000210268_100000748023 [0,0,0,0,0,2|1,0,1]=4 9461 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000748023_100011218657 [0,0,0,0,0,2|1,0,1]=4 9462 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000765856_100000748023 [0,0,0,0,0,2|1,0,1]=4 9463 B14R1.716 CCC(C)CSCSc1ccccc1 62a_100000748023_100011218342 [0,0,0,0,0,2|1,0,1]=4 9464 B14R1.716 CCC(C)CSCSc1ccccc1 62a_100011218342_100000748023 [0,0,0,0,0,2|1,0,1]=4 9465 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000209981_100000211621 [0,0,0,0,0,2|1,0,1]=4 9466 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000211184_100000758301 [0,0,0,0,0,2|1,0,1]=4 9467 B14R1.716 CCC(C)NCCCc1ccccc1 34a_100000211184_100011215416 [0,0,0,0,0,2|1,0,1]=4 9468 B14R1.716 CCC(C)NCCOc1ccccc1 2230a_100000174943_100000758301 [0,0,0,0,0,2|1,0,1]=4 9469 B14R1.716 CCC(C)NCCOc1ccccc1 2230a_100000209981_100000184471 [0,0,0,0,0,2|1,0,1]=4 9470 B14R1.716 CCC(C)NCCOc1ccccc1 270004a_100000209981_100000758736 [0,0,0,0,0,2|1,0,1]=4 9471 B14R1.716 CCC(C)NCCOc1ccccc1 34a_100000174943_100011215416 [0,0,0,0,0,2|1,0,1]=4 9472 B14R1.716 CCC(C)NCCSc1ccccc1 2230a_100000189519_100000758301 [0,0,0,0,0,2|1,0,1]=4 9473 B14R1.716 CCC(C)NCCSc1ccccc1 2230a_100000209981_100000246102 [0,0,0,0,0,2|1,0,1]=4 9474 B14R1.716 CCC(C)NCOCc1ccccc1 2230a_100000209981_100000763385 [0,0,0,0,0,2|1,0,1]=4 9475 B14R1.716 CCC(C)NCSCc1ccccc1 2230a_100000209981_200011217039 [0,0,0,0,0,2|1,0,1]=4 9476 B14R1.716 CCC(C)OCCCc1ccccc1 34a_100000210828_100011215416 [0,0,0,0,0,2|1,0,1]=4 9477 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210228_100000211621 [0,0,0,0,0,2|1,0,1]=4 9478 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210828_100000758301 [0,0,0,0,0,2|1,0,1]=4 9479 B14R1.716 CCC(C)OCCNc1ccccc1 34a_100000211345_100011215416 [0,0,0,0,0,2|1,0,1]=4 9480 B14R1.716 CCC(C)OCCOc1ccccc1 34a_100000210260_100011215416 [0,0,0,0,0,2|1,0,1]=4 9481 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210228_100000184471 [0,0,0,0,0,2|1,0,1]=4 9482 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210260_100000758301 [0,0,0,0,0,2|1,0,1]=4 9483 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000210228_100000246102 [0,0,0,0,0,2|1,0,1]=4 9484 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000230494_100000758301 [0,0,0,0,0,2|1,0,1]=4 9485 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000211621_100000758301 [0,0,0,0,0,2|1,0,1]=4 9486 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000758301_100000211621 [0,0,0,0,0,2|1,0,1]=4 9487 B14R1.716 CCC(C)SCCOc1ccccc1 62a_100000184471_100000758301 [0,0,0,0,0,2|1,0,1]=4 9488 B14R1.716 CCC(C)SCCOc1ccccc1 62a_100000758301_100000184471 [0,0,0,0,0,2|1,0,1]=4 9489 B14R1.716 CCC(C)SCCSc1ccccc1 62a_100000246102_100000758301 [0,0,0,0,0,2|1,0,1]=4 9490 B14R1.716 CCC(C)SCCSc1ccccc1 62a_100000758301_100000246102 [0,0,0,0,0,2|1,0,1]=4 9491 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000758301_100000763385 [0,0,0,0,0,2|1,0,1]=4 9492 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000763385_100000758301 [0,0,0,0,0,2|1,0,1]=4 9493 B14R1.716 CCC(C)SCSCc1ccccc1 62a_100000758301_200011217039 [0,0,0,0,0,2|1,0,1]=4 9494 B14R1.716 CCC(C)SCSCc1ccccc1 62a_200011217039_100000758301 [0,0,0,0,0,2|1,0,1]=4 9495 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [0,0,0,0,0,2|1,0,1]=4 9496 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [0,0,0,0,0,2|1,0,1]=4 9497 B14R1.716 CC[C@H](C)COCCc1ccccc1 34a_100000210268_100009816398 [0,0,0,0,0,2|1,0,1]=4 9498 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100000210268_100009816398 [0,0,0,0,0,2|1,0,1]=4 9499 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100009816381_100000765856 [0,0,0,0,0,2|1,0,1]=4 9500 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100000765856_100009816398 [0,0,0,0,0,2|1,0,1]=4 9501 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100009816398_100011218657 [0,0,0,0,0,2|1,0,1]=4 9502 B14R1.716 CC[C@H](C)CSCSc1ccccc1 62a_100009816398_100011218342 [0,0,0,0,0,2|1,0,1]=4 9503 B14R1.716 CC[C@H](C)CSCSc1ccccc1 62a_100011218342_100009816398 [0,0,0,0,0,2|1,0,1]=4 9504 B14R1.716 CNC(C)CCCCc1ccccc1 270004a_106832991635_200011485782 [0,0,0,0,0,2|2,0,0]=4 9505 B14R1.716 CNC(C)CCOCc1ccccc1 270004a_106832991635_100011219826 [0,0,0,0,0,2|2,0,0]=4 9506 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,0,0,0,0,2|2,0,0]=4 9507 B14R1.716 COC(C)COCCc1ccccc1 34a_100000690652_100000765856 [0,0,0,0,0,2|2,0,0]=4 9508 B14R1.716 COC(C)SCCCc1ccccc1 62a_100000211621_100009879195 [0,0,0,0,0,2|2,0,0]=4 9509 B14R1.716 COC(C)SCCCc1ccccc1 62a_100009879195_100000211621 [0,0,0,0,0,2|2,0,0]=4 9510 B14R1.716 COC(C)SCCOc1ccccc1 62a_100000184471_100009879195 [0,0,0,0,0,2|2,0,0]=4 9511 B14R1.716 COC(C)SCCOc1ccccc1 62a_100009879195_100000184471 [0,0,0,0,0,2|2,0,0]=4 9512 B14R1.716 COC(C)SCCSc1ccccc1 62a_100000246102_100009879195 [0,0,0,0,0,2|2,0,0]=4 9513 B14R1.716 COC(C)SCCSc1ccccc1 62a_100009879195_100000246102 [0,0,0,0,0,2|2,0,0]=4 9514 B14R1.716 COC(C)SCOCc1ccccc1 62a_100000763385_100009879195 [0,0,0,0,0,2|2,0,0]=4 9515 B14R1.716 COC(C)SCOCc1ccccc1 62a_100009879195_100000763385 [0,0,0,0,0,2|2,0,0]=4 9516 B14R1.716 COC(C)SCSCc1ccccc1 62a_100009879195_200011217039 [0,0,0,0,0,2|2,0,0]=4 9517 B14R1.716 COC(C)SCSCc1ccccc1 62a_200011217039_100009879195 [0,0,0,0,0,2|2,0,0]=4 9518 B14R1.716 CO[C@H](C)CNCCc1ccccc1 2230a_100020591295_100000765856 [0,0,0,0,0,2|2,0,0]=4 9519 B14R1.716 CO[C@H](C)CNCSc1ccccc1 2230a_100020591295_100011218342 [0,0,0,0,0,2|2,0,0]=4 9520 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [0,0,0,0,0,2|0,0,2]=4 9521 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [0,0,0,0,0,2|0,0,2]=4 9522 B14R1.716 C[C@@H](CO)COCCc1ccccc1 34a_100000210268_100000059175 [0,0,0,0,0,2|0,0,2]=4 9523 B14R1.716 C[C@@H](CO)COCCc1ccccc1 7a_100000210268_100000059175 [0,0,0,0,0,2|0,0,2]=4 9524 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000059175_100011218657 [0,0,0,0,0,2|0,0,2]=4 9525 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000765856_100000059175 [0,0,0,0,0,2|0,0,2]=4 9526 B14R1.716 C[C@@H](CO)CSCSc1ccccc1 62a_100000059175_100011218342 [0,0,0,0,0,2|0,0,2]=4 9527 B14R1.716 C[C@@H](CO)CSCSc1ccccc1 62a_100011218342_100000059175 [0,0,0,0,0,2|0,0,2]=4 9528 B14R1.716 C[C@H](CF)NCCOc1ccccc1 270004a_100102880703_100000758736 [0,0,0,0,0,2|1,0,1]=4 9529 B14R1.716 C[C@H](CO)NCCCc1ccccc1 2230a_100000737577_100000211621 [0,0,0,0,0,2|0,0,2]=4 9530 B14R1.716 C[C@H](CO)NCCOc1ccccc1 2230a_100000737577_100000184471 [0,0,0,0,0,2|0,0,2]=4 9531 B14R1.716 C[C@H](CO)NCCOc1ccccc1 270004a_100000737577_100000758736 [0,0,0,0,0,2|0,0,2]=4 9532 B14R1.716 C[C@H](CO)NCCSc1ccccc1 2230a_100000737577_100000246102 [0,0,0,0,0,2|0,0,2]=4 9533 B14R1.716 C[C@H](CO)NCOCc1ccccc1 2230a_100000737577_100000763385 [0,0,0,0,0,2|0,0,2]=4 9534 B14R1.716 C[C@H](CO)NCSCc1ccccc1 2230a_100000737577_200011217039 [0,0,0,0,0,2|0,0,2]=4 9535 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100000211621_100016084084 [0,0,0,0,0,2|0,0,2]=4 9536 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100016084084_100000211621 [0,0,0,0,0,2|0,0,2]=4 9537 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100000184471_100016084084 [0,0,0,0,0,2|0,0,2]=4 9538 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100016084084_100000184471 [0,0,0,0,0,2|0,0,2]=4 9539 B14R1.716 C[C@H](CO)SCCSc1ccccc1 62a_100000246102_100016084084 [0,0,0,0,0,2|0,0,2]=4 9540 B14R1.716 C[C@H](CO)SCCSc1ccccc1 62a_100016084084_100000246102 [0,0,0,0,0,2|0,0,2]=4 9541 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100000763385_100016084084 [0,0,0,0,0,2|0,0,2]=4 9542 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100016084084_100000763385 [0,0,0,0,0,2|0,0,2]=4 9543 B14R1.716 C[C@H](CO)SCSCc1ccccc1 62a_100016084084_200011217039 [0,0,0,0,0,2|0,0,2]=4 9544 B14R1.716 C[C@H](CO)SCSCc1ccccc1 62a_200011217039_100016084084 [0,0,0,0,0,2|0,0,2]=4