0 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,0,0|3,0,0]=3 67 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813875 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100009813875_100000728582 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,0,0,0,0,0|1,0,3]=4 74 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100000210063_100020610796 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100020610796_100000210063 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100000728582_100020610796 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100020610796_100000728582 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|1,0,2]=4 121 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|1,0,2]=4 122 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|1,0,0]=2 123 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|1,0,0]=2 124 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|2,0,0]=3 139 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,0,0,0,0|2,0,1]=4 165 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,0]=3 169 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,0]=3 170 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [1,0,0,0,0,0|3,0,0]=4 178 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|1,0,1]=3 183 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|1,0,1]=3 184 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|1,0,1]=3 187 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|1,0,1]=3 188 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|1,0,2]=4 198 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|1,0,2]=4 199 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|1,0,0]=2 200 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,1,0,0,0,0|2,0,0]=3 210 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,0|2,0,0]=3 237 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,0|2,0,0]=3 238 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,1,0,0,0,0|2,0,0]=3 260 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,1,0,0,0,0|3,0,0]=4 266 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,1,0,0,0,0|3,0,0]=4 268 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,1,0,0,0,0|2,0,1]=4 300 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,1,0,0,0,0|2,0,1]=4 306 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,0|2,0,0]=3 353 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,0|2,0,0]=3 354 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,1,0,0,0,0|2,0,0]=3 355 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,0|2,0,1]=4 356 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,0|2,0,1]=4 357 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,0|2,0,0]=3 358 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000185746 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.135 C=CC(=O)N(C)Cc1ccccc1 240690a_100000186898_200121576911 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,1,0,0,0,0|2,0,0]=3 361 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,0|1,0,0]=2 362 B13R1.135 CC(Cc1ccccn1)C(=O)CF 1458a_100012000792_100015361967 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.135 CC(Oc1ccccc1)C(=O)CF 1458a_100000188414_100015361967 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.135 CC(Sc1ccccc1)C(=O)CF 1458a_100000199063_100015361967 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,0|2,0,0]=3 367 B13R1.135 CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210202 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 375 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,0|2,0,0]=3 378 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,0|2,0,0]=3 379 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.135 CN(Cc1ccccn1)C(=O)CO 240690a_100000207498_100000210174 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.135 CN(Cc1ccccn1)C(=O)CO 527a_100000207498_100000210174 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.135 CN(Cc1cccnc1)C(=O)CO 240690a_100000184577_100000210174 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.135 CN(Cc1cccnc1)C(=O)CO 527a_100000184577_100000210174 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.135 CN(Cc1ccncc1)C(=O)CO 240690a_100000187231_100000210174 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.135 CN(Cc1ccncc1)C(=O)CO 527a_100000187231_100000210174 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,0|2,0,0]=3 388 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,0|2,0,0]=3 389 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,0|2,0,0]=3 390 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,0|2,0,0]=3 391 B13R1.135 CNC(=O)C(C)Cc1ccccn1 1626a_100102657272_100012000792 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.135 CNC(=O)C(C)Cc1ccccn1 240690a_100102657272_100012000792 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.135 CNC(=O)C(C)Cc1ccccn1 527a_100102657272_100012000792 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,0|3,0,0]=4 402 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,0|2,0,0]=3 415 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,0|2,0,1]=4 416 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,0|2,0,1]=4 417 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,0|2,0,1]=4 418 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,0|2,0,0]=3 421 B13R1.135 COC(=O)C(C)Oc1cccnc1 34a_100000210849_100000211248 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.135 COC(=O)C(C)Oc1cccnc1 7a_100000210849_100000211248 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.135 COC(=O)C(C)Oc1ccncc1 34a_100000212176_100000211248 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,0|2,0,0]=3 425 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,0|2,0,0]=3 426 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100000211248_100011216584 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100011216584_100000211248 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000210063_100000211248 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000211248_100000210063 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000211248_100000728582 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000728582_100000211248 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,0|2,0,0]=3 433 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,1,0,0,0,0|2,0,0]=3 475 B13R1.148 CC(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702099 [0,1,0,0,0,0|3,0,0]=4 476 B13R1.148 CC(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702099 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,1,0,0,0,0|3,0,0]=4 478 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.148 CC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702099 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702099 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000702099_100000691529 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702099 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000699651 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702099 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000702099_100000210019 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.148 CC(Sc1cccc(c1)O)C(=O)N 62a_100000702099_100000211634 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_100000702099_114929384022 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702099 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.148 Cc1cccc(c1)NC(F)C(=O)[O-] 34a_100000188690_100020610796 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,1,0,0,0,0|3,0,0]=4 509 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,1,0,0,0,0|3,0,0]=4 518 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100011215228_100020610796 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100011215228 [0,1,0,0,0,0|2,0,1]=4 520 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100009813875 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100009813875 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.148 NC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100009813875 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.148 NC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100009813875 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.148 NC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813875 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100009813875 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100009813875 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100009813875 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100009813875 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.148 NC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100009813875 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100009813875 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100009813875_100000691529 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100009813875 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100009813875_100000699651 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100009813875 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100009813875_100000685547 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100009813875 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100009813875_100000210019 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.148 NC(=O)C(F)Sc1cccc(c1)O 62a_100009813875_100000211634 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_100009813875_114929384022 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100009813875 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.148 Nc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210217_100020610796 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100000210019_100020610796 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000210019 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Br 34a_100000210019_100020610796 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Cl 34a_100000185859_100020610796 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)F 34a_100000210047_100020610796 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)I 34a_100000211102_100020610796 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)O 34a_100000210217_100020610796 [0,1,0,0,0,0|2,0,1]=4 553 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Br 34a_100000210342_100020610796 [0,1,0,0,0,0|2,0,1]=4 554 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Cl 34a_100000210295_100020610796 [0,1,0,0,0,0|2,0,1]=4 555 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)F 34a_100000210426_100020610796 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100000691529_100020610796 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100020610796_100000691529 [0,1,0,0,0,0|2,0,1]=4 559 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100000699651_100020610796 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100020610796_100000699651 [0,1,0,0,0,0|2,0,1]=4 561 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100000685547_100020610796 [0,1,0,0,0,0|2,0,1]=4 562 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100020610796_100000685547 [0,1,0,0,0,0|2,0,1]=4 563 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)O 62a_100020610796_100000211634 [0,1,0,0,0,0|2,0,1]=4 564 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_100020610796_114929384022 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_114929384022_100020610796 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,1,0,0,0,0|2,0,0]=3 567 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,1,0,0,0,0|2,0,0]=3 568 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,0,0,0,0|2,0,0]=3 581 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.152 CN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210012_100020610796 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,1,0,0,0,0|1,0,2]=4 588 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,1,0,0,0,0|2,0,0]=3 612 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,1,0,0,0,0|2,0,0]=3 613 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.202 CC(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702099 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.202 CC(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702099 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.202 CC(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702099 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.202 CC(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702099 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000695589_100000702099 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000702099_100000695589 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000702099_100000764095 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000764095_100000702099 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100000702099_100011215700 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100011215700_100000702099 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000210017_100000702099 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000702099_100000210017 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.202 Cc1ccccc1NC(F)C(=O)N 34a_100015192222_100009813875 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.202 Cc1ccccc1NC(F)C(=O)[O-] 34a_100015192222_100020610796 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.202 Cc1ccccc1OC(F)C(=O)N 34a_100000210338_100009813875 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.202 Cc1ccccc1OC(F)C(=O)N 7a_100000210338_100009813875 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.202 Cc1ccccc1OC(F)C(=O)[O-] 34a_100000210338_100020610796 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000210755_100000702099 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210755 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100000210755_100009813875 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100009813875_100000210755 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100000210755_100020610796 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210755 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.202 NC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100009813875 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.202 NC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100009813875 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.202 NC(=O)C(F)Nc1ccccc1F 34a_100000210422_100009813875 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.202 NC(=O)C(F)Nc1ccccc1I 34a_100000210053_100009813875 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.202 NC(=O)C(F)Nc1ccccc1O 34a_100000185747_100009813875 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100009813875 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100009813875 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100009813875 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100009813875 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.202 NC(=O)C(F)Oc1ccccc1F 34a_100000210171_100009813875 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.202 NC(=O)C(F)Oc1ccccc1F 7a_100000210171_100009813875 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.202 NC(=O)C(F)Oc1ccccc1I 34a_100000739446_100009813875 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.202 NC(=O)C(F)Oc1ccccc1I 7a_100000739446_100009813875 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.202 NC(=O)C(F)Oc1ccccc1N 34a_100000185747_100009813875 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.202 NC(=O)C(F)Oc1ccccc1N 7a_100000185747_100009813875 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100000695589_100009813875 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100009813875_100000695589 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100000764095_100009813875 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100009813875_100000764095 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100009813875_100011215700 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100011215700_100009813875 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100000210017_100009813875 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100009813875_100000210017 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100000739446_100009813875 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100009813875_100000739446 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.202 Nc1ccccc1OC(F)C(=O)[O-] 34a_100000185747_100020610796 [0,1,0,0,0,0|2,0,1]=4 701 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100000210017_100020610796 [0,1,0,0,0,0|2,0,1]=4 702 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210017 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.202 O=C([O-])C(F)Nc1ccccc1Br 34a_100000210017_100020610796 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.202 O=C([O-])C(F)Nc1ccccc1Cl 34a_100000185783_100020610796 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.202 O=C([O-])C(F)Nc1ccccc1F 34a_100000210422_100020610796 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.202 O=C([O-])C(F)Nc1ccccc1I 34a_100000210053_100020610796 [0,1,0,0,0,0|2,0,1]=4 707 B13R1.202 O=C([O-])C(F)Nc1ccccc1O 34a_100000185747_100020610796 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.202 O=C([O-])C(F)Oc1ccccc1Br 34a_100000181306_100020610796 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.202 O=C([O-])C(F)Oc1ccccc1Cl 34a_100000210172_100020610796 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.202 O=C([O-])C(F)Oc1ccccc1F 34a_100000210171_100020610796 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.202 O=C([O-])C(F)Oc1ccccc1I 34a_100000739446_100020610796 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100000695589_100020610796 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100020610796_100000695589 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100000764095_100020610796 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100020610796_100000764095 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100011215700_100020610796 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100020610796_100011215700 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100000739446_100020610796 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100020610796_100000739446 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,1,0,0,0,0|2,0,0]=3 721 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,1,0,0,0,0|1,0,1]=3 723 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,1,0,0,0,0|1,0,1]=3 724 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,0|1,0,0]=2 738 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,0|1,0,0]=2 739 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,1,0,0,0,0|2,0,1]=4 740 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,1,0,0,0,0|1,0,1]=3 741 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,0|1,0,0]=2 742 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,0|1,0,0]=2 743 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,1,0,0,0,0|2,0,0]=3 744 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.1073 CC(=O)C(F)(F)Oc1ccccc1 1458a_100000070787_200000057402 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,1,0,0,0,0|2,0,0]=3 750 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)N 34a_100000106764_100000702505 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000702505_100000041952 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000719477_100000702505 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.1073 NC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100009811971 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100009811971 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100009811971_100000041952 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.1073 O=C([O-])C(F)(F)Nc1ccccc1 34a_100000106764_100020612412 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.1073 O=C([O-])C(F)(F)Oc1ccccc1 34a_100000210340_100020612412 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000719477_100000745680 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000745680_100000041952 [0,1,0,0,0,0|2,0,1]=4 763 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,0|3,0,0]=4 764 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,0|3,0,0]=4 765 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,0|3,0,0]=4 766 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,0|3,0,0]=4 767 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,0|3,0,0]=4 768 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,1,0,0|1,0,2]=4 769 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,1,0,0|2,0,1]=4 770 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,1,0,0|2,0,1]=4 771 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,1,0,0|1,0,2]=4 772 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,0|3,0,0]=4 773 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,0|2,0,0]=3 774 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,0|3,0,0]=4 775 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,0|2,0,0]=3 776 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,1,0,0|2,0,1]=4 777 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,1,0,0|2,0,0]=3 778 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,1,0,0|2,0,0]=3 779 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,0|2,0,0]=3 780 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,1,0,0|2,0,0]=3 781 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 782 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 783 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,1,0,0|3,0,0]=4 784 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,1,0,0|3,0,0]=4 785 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,1,0,0|2,0,1]=4 786 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,1,0,0|2,0,0]=3 787 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,0|2,0,0]=3 788 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,1,0,0|2,0,0]=3 789 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,1,0|2,0,1]=4 790 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,1,0|2,0,1]=4 791 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,1,0|2,0,0]=3 792 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,0,0,1,0|3,0,0]=4 793 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,1,0|2,0,0]=3 794 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,1,0|3,0,0]=4 795 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,1,0|3,0,0]=4 796 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,1,0|3,0,0]=4 797 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,1,0|2,0,0]=3 798 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,1,0|2,0,0]=3 799 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,0,0,1,0|3,0,0]=4 800 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,1,0|2,0,0]=3 801 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,1,0|2,0,0]=3 802 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,1,0|2,0,0]=3 803 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,0,1|2,0,1]=4 804 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,0,0,0,0,1|3,0,0]=4 805 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,0,0,0,0,1|3,0,0]=4 806 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,0,0,0,0,1|3,0,0]=4 807 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,0,0,0,0,1|3,0,0]=4 808 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,0,0,0,0,1|3,0,0]=4 809 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,0,0,0,0,1|3,0,0]=4 810 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,0,0,0,0,1|3,0,0]=4 811 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,0,0,0,0,1|3,0,0]=4 812 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,0,0,0,0,1|3,0,0]=4 813 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,0,0,0,0,1|3,0,0]=4 814 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,0,0,0,0,1|3,0,0]=4 815 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,0,0,0,0,1|3,0,0]=4 816 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,0,0,0,0,1|3,0,0]=4 817 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,0,0,0,0,1|3,0,0]=4 818 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,0,1|2,0,0]=3 820 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,0,1|2,0,0]=3 821 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,0,0,0,0,1|3,0,0]=4 823 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,0,0,0,0,1|3,0,0]=4 824 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,0,0,0,0,1|3,0,0]=4 825 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,0,0,0,0,1|2,0,1]=4 826 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,0,0,0,1|2,0,1]=4 827 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,0,1|2,0,0]=3 828 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,0,0,0,0,1|3,0,0]=4 829 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,0,0,0,1|2,0,1]=4 830 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,0,0,0,0,1|2,0,1]=4 831 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,0,0,0,0,1|2,0,1]=4 832 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,0,0,0,0,1|2,0,1]=4 833 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,0,0,0,1|2,0,0]=3 834 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,0,0,0,0,1|2,0,0]=3 835 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,0,0,0,0,1|2,0,0]=3 836 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,0,0,0,0,1|2,0,0]=3 837 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,0,0,0,0,1|3,0,0]=4 838 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,0,0,0,0,1|3,0,0]=4 839 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,0,0,0,0,1|2,0,0]=3 840 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,0,0,0,0,1|2,0,0]=3 841 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,0,0,0,0,1|2,0,0]=3 842 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,0,0,0,0,1|3,0,0]=4 843 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,0,0,0,0,1|3,0,0]=4 844 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,0,0,0,0,1|3,0,0]=4 845 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,0,0,0,0,1|3,0,0]=4 846 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,0,0,0,0,1|3,0,0]=4 847 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,0,0,0,0,1|3,0,0]=4 848 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,0,0,0,0,1|2,0,0]=3 849 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 850 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 851 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,0,0,0,0,1|3,0,0]=4 852 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,0,0,0,0,1|3,0,0]=4 853 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,0,0,0,0,1|2,0,0]=3 854 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,0,0,0,1|2,0,0]=3 855 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,0,0,0,0,1|2,0,0]=3 856 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,0,0,0,0,1|2,0,0]=3 857 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,0,0,0,0,1|2,0,0]=3 858 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,0,0,0,0,1|2,0,0]=3 859 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,0,0,0,0,1|2,0,0]=3 860 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,0,0,0,0,1|2,0,0]=3 861 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,0,0,0,0,1|2,0,0]=3 862 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000702099_100000721315 [0,0,0,0,0,1|3,0,0]=4 863 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000721315_100000702099 [0,0,0,0,0,1|3,0,0]=4 864 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000702099_100000741622 [0,0,0,0,0,1|3,0,0]=4 865 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000741622_100000702099 [0,0,0,0,0,1|3,0,0]=4 866 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100000702099_100015193705 [0,0,0,0,0,1|3,0,0]=4 867 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100015193705_100000702099 [0,0,0,0,0,1|3,0,0]=4 868 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,0,0,0,0,1|2,0,0]=3 869 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,0,0,0,0,1|2,0,0]=3 870 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,0,0,0,0,1|2,0,0]=3 871 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 2230a_100000119354_100000721315 [0,0,0,0,0,1|3,0,0]=4 872 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 270004a_100000119354_100000209966 [0,0,0,0,0,1|3,0,0]=4 873 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N 34a_100000119354_100000721315 [0,0,0,0,0,1|3,0,0]=4 874 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 2230a_100000119354_100000741622 [0,0,0,0,0,1|3,0,0]=4 875 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 270004a_100000119354_100000209961 [0,0,0,0,0,1|3,0,0]=4 876 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)N 34a_100000119354_100000733263 [0,0,0,0,0,1|3,0,0]=4 877 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)N 2230a_100000119354_100015193705 [0,0,0,0,0,1|3,0,0]=4 878 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,0,0,0,0,1|2,0,0]=3 879 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,0,0,0,0,1|2,0,0]=3 880 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 34a_100000731257_100000721315 [0,0,0,0,0,1|3,0,0]=4 881 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 7a_100000731257_100000721315 [0,0,0,0,0,1|3,0,0]=4 882 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 34a_100000731257_100000733263 [0,0,0,0,0,1|3,0,0]=4 883 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 7a_100000731257_100000741622 [0,0,0,0,0,1|3,0,0]=4 884 B13R1.351 C[C@@H](OCc1ccncc1)C(=O)N 7a_100000731257_100015193705 [0,0,0,0,0,1|3,0,0]=4 885 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,0,1|1,0,0]=2 886 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,0,0,0,0,1|2,0,0]=3 887 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,0,1|2,0,0]=3 888 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O 269956a_100000743915_100016990269 [0,0,0,0,0,1|3,0,0]=4 889 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,0,1|2,0,0]=3 890 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,0,0,0,0,1|3,0,0]=4 891 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O 269956a_100000743915_100016991940 [0,0,0,0,0,1|3,0,0]=4 892 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O 269956a_100000743915_100000703007 [0,0,0,0,0,1|3,0,0]=4 893 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,0,0,0,0,1|2,0,0]=3 894 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,0,0,0,0,1|1,0,1]=3 895 B13R1.351 C[C@H](OCc1ccccn1)C(=O)[O-] 7a_217856618621_100000721315 [0,0,0,0,0,1|2,0,1]=4 896 B13R1.351 C[C@H](OCc1cccnc1)C(=O)[O-] 7a_217856618621_100000741622 [0,0,0,0,0,1|2,0,1]=4 897 B13R1.351 C[C@H](OCc1ccncc1)C(=O)[O-] 7a_217856618621_100015193705 [0,0,0,0,0,1|2,0,1]=4 898 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,0,0,0,1|2,0,1]=4 899 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,0,0,0,0,1|2,0,0]=3 900 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,0,0,0,0,1|2,0,0]=3 901 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,0,0,0,0,1|2,0,0]=3 902 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,0,0,0,0,1|2,0,0]=3 903 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,0,0,0,0,1|2,0,0]=3 904 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,0,0,0,0,1|2,0,0]=3 905 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100000721315_100009813875 [0,0,0,0,0,1|3,0,0]=4 906 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100009813875_100000721315 [0,0,0,0,0,1|3,0,0]=4 907 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100000741622_100009813875 [0,0,0,0,0,1|3,0,0]=4 908 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100009813875_100000741622 [0,0,0,0,0,1|3,0,0]=4 909 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100009813875_100015193705 [0,0,0,0,0,1|3,0,0]=4 910 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100015193705_100009813875 [0,0,0,0,0,1|3,0,0]=4 911 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,0,0,0,0,1|1,0,1]=3 912 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,0,0,0,0,1|1,0,1]=3 913 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,0,0,0,0,1|1,0,1]=3 914 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,0,0,0,0,1|1,0,1]=3 915 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100000721315_100020610796 [0,0,0,0,0,1|2,0,1]=4 916 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100020610796_100000721315 [0,0,0,0,0,1|2,0,1]=4 917 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100000741622_100020610796 [0,0,0,0,0,1|2,0,1]=4 918 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100020610796_100000741622 [0,0,0,0,0,1|2,0,1]=4 919 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100015193705_100020610796 [0,0,0,0,0,1|2,0,1]=4 920 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100020610796_100015193705 [0,0,0,0,0,1|2,0,1]=4 921 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,0,0,0,0,1|2,0,0]=3 922 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|2,0,0]=4 923 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 924 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 925 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|2,0,0]=4 926 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|2,0,0]=4 927 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,1]=4 928 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 929 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 930 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 931 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|2,0,0]=4 932 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 933 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 934 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|2,0,0]=4 935 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 936 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|2,0,0]=4 937 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|2,0,0]=4 938 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 939 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,0]=3 940 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,0]=3 941 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|2,0,0]=4 942 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|2,0,0]=4 943 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|2,0,0]=4 944 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,0]=3 945 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,0]=3 946 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|2,0,0]=4 947 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|2,0,0]=4 948 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|2,0,0]=4 949 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|2,0,0]=4 950 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|2,0,0]=4 951 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|2,0,0]=4 952 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,1]=4 953 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 954 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 955 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,0,1]=4 956 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,0,1]=4 957 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 959 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 960 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 961 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|2,0,0]=4 962 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|2,0,0]=4 963 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,1]=4 964 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|1,0,1]=4 965 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|1,0,1]=4 966 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|1,0,1]=4 969 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|0,0,1]=3 971 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|0,0,1]=3 973 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [1,1,0,0,0,0|0,0,1]=3 974 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [1,1,0,0,0,0|1,0,1]=4 975 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [1,1,0,0,0,0|1,0,1]=4 977 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [1,1,0,0,0,0|0,0,1]=3 978 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [1,1,0,0,0,0|1,0,1]=4 979 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [1,1,0,0,0,0|1,0,1]=4 980 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [1,1,0,0,0,0|2,0,0]=4 985 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [1,1,0,0,0,0|1,0,1]=4 986 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [1,1,0,0,0,0|0,0,1]=3 987 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [1,1,0,0,0,0|1,0,1]=4 988 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [1,1,0,0,0,0|1,0,1]=4 989 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|1,0,0]=3 991 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|1,0,0]=3 992 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|1,0,0]=3 993 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|1,0,0]=3 994 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|1,0,0]=3 995 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|1,0,0]=3 996 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|1,0,0]=3 997 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|1,0,0]=3 998 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|1,0,0]=3 999 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|1,0,0]=3 1000 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1001 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|1,0,0]=3 1002 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,1,0,0,0,0|2,0,0]=4 1004 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|2,0,0]=4 1035 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|1,0,0]=3 1036 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,1,0,0,0,0|1,0,1]=4 1042 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,1,0,0,0,0|1,0,1]=4 1046 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,1,0,0,0,0|1,0,1]=4 1047 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|1,0,0]=3 1048 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [1,1,0,0,0,0|2,0,0]=4 1051 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [1,1,0,0,0,0|2,0,0]=4 1058 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [1,1,0,0,0,0|2,0,0]=4 1060 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [1,1,0,0,0,0|2,0,0]=4 1068 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [1,1,0,0,0,0|2,0,0]=4 1069 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [1,1,0,0,0,0|1,0,1]=4 1074 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [1,1,0,0,0,0|1,0,1]=4 1078 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [1,1,0,0,0,0|1,0,1]=4 1079 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [1,1,0,0,0,0|1,0,1]=4 1080 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,1,0,0,0,0|1,0,1]=4 1081 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [1,1,0,0,0,0|1,0,1]=4 1082 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [1,1,0,0,0,0|1,0,1]=4 1083 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [1,1,0,0,0,0|1,0,1]=4 1086 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [1,1,0,0,0,0|1,0,1]=4 1089 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [1,1,0,0,0,0|1,0,1]=4 1090 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [1,1,0,0,0,0|1,0,1]=4 1091 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,1,0,0,0,0|1,0,1]=4 1092 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|1,0,0]=3 1093 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|1,0,0]=3 1094 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|1,0,0]=3 1095 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|1,0,0]=3 1096 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1097 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [1,1,0,0,0,0|1,0,0]=3 1106 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [1,1,0,0,0,0|2,0,0]=4 1107 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,1,0,0,0,0|1,0,0]=3 1110 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [1,1,0,0,0,0|2,0,0]=4 1122 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,1,0,0,0,0|2,0,0]=4 1124 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,1,0,0,0,0|2,0,0]=4 1125 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [1,1,0,0,0,0|2,0,0]=4 1128 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1129 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1130 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1131 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1132 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,1,0,0,0,0|1,0,0]=3 1133 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1134 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1135 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,1,0,0,0,0|1,0,0]=3 1136 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [1,1,0,0,0,0|2,0,0]=4 1138 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [1,1,0,0,0,0|2,0,0]=4 1139 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [1,1,0,0,0,0|2,0,0]=4 1140 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [1,1,0,0,0,0|2,0,0]=4 1144 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [1,1,0,0,0,0|2,0,0]=4 1145 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [1,1,0,0,0,0|2,0,0]=4 1154 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [1,1,0,0,0,0|2,0,0]=4 1157 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [1,1,0,0,0,0|2,0,0]=4 1158 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [1,1,0,0,0,0|2,0,0]=4 1159 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,1,0,0,0,0|1,0,0]=3 1166 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,1,0,0,0,0|1,0,0]=3 1167 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,1,0,0,0,0|1,0,0]=3 1168 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [1,1,0,0,0,0|2,0,0]=4 1169 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,1,0,0,0,0|1,0,0]=3 1172 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,1,0,0,0,0|1,0,0]=3 1173 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [1,1,0,0,0,0|2,0,0]=4 1177 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [1,1,0,0,0,0|2,0,0]=4 1178 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [1,1,0,0,0,0|2,0,0]=4 1179 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [1,1,0,0,0,0|1,0,1]=4 1180 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [1,1,0,0,0,0|1,0,1]=4 1181 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [1,1,0,0,0,0|1,0,1]=4 1182 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [1,1,0,0,0,0|1,0,1]=4 1183 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,1,0,0,0,0|1,0,0]=3 1184 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,0]=2 1190 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,1,0,0,0,0|1,0,0]=3 1191 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,1,0,0,0,0|1,0,0]=3 1192 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,1,0,0,0,0|1,0,0]=3 1193 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1194 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1195 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1198 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|1,0,1]=4 1203 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|1,0,0]=3 1204 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|1,0,0]=3 1205 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|1,0,0]=3 1206 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|1,0,0]=3 1207 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|1,0,0]=3 1209 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|1,0,0]=3 1214 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,1,0,0,0,0|1,0,0]=3 1220 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [1,1,0,0,0,0|2,0,0]=4 1221 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [1,1,0,0,0,0|1,0,1]=4 1222 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [1,1,0,0,0,0|1,0,1]=4 1223 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,1,0,0,0,0|1,0,1]=4 1224 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,1,0,0,0,0|0,0,2]=4 1225 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|1,0,0]=3 1226 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,1,0,0,0,0|1,0,0]=3 1229 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,1,0,0,0,0|1,0,0]=3 1230 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,1,0,0,0,0|1,0,0]=3 1231 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|1,0,0]=3 1232 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|1,0,0]=3 1233 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,1,0,0,0,0|1,0,0]=3 1237 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|1,0,0]=3 1239 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|1,0,0]=3 1240 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1243 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1246 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [1,1,0,0,0,0|2,0,0]=4 1260 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [1,1,0,0,0,0|2,0,0]=4 1261 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|1,0,0]=3 1273 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [1,1,0,0,0,0|1,0,1]=4 1275 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [1,1,0,0,0,0|1,0,1]=4 1279 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [1,1,0,0,0,0|1,0,1]=4 1283 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [1,1,0,0,0,0|1,0,1]=4 1284 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,1,0,0,0,0|1,0,0]=3 1285 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [1,1,0,0,0,0|2,0,0]=4 1286 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [1,1,0,0,0,0|2,0,0]=4 1287 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [1,1,0,0,0,0|2,0,0]=4 1288 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [1,1,0,0,0,0|2,0,0]=4 1289 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [1,1,0,0,0,0|2,0,0]=4 1290 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [1,1,0,0,0,0|2,0,0]=4 1297 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [1,1,0,0,0,0|2,0,0]=4 1299 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [1,1,0,0,0,0|2,0,0]=4 1310 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [1,1,0,0,0,0|1,0,1]=4 1312 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [1,1,0,0,0,0|1,0,1]=4 1313 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [1,1,0,0,0,0|1,0,1]=4 1314 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [1,1,0,0,0,0|1,0,1]=4 1315 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [1,1,0,0,0,0|1,0,1]=4 1316 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [1,1,0,0,0,0|1,0,1]=4 1317 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [1,1,0,0,0,0|1,0,1]=4 1318 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [1,1,0,0,0,0|1,0,1]=4 1319 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [1,1,0,0,0,0|1,0,1]=4 1320 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [1,1,0,0,0,0|1,0,1]=4 1321 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [1,1,0,0,0,0|1,0,1]=4 1322 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [1,1,0,0,0,0|1,0,1]=4 1323 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [1,1,0,0,0,0|1,0,1]=4 1324 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [1,1,0,0,0,0|1,0,1]=4 1325 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [1,1,0,0,0,0|1,0,1]=4 1326 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [1,1,0,0,0,0|1,0,1]=4 1327 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [1,1,0,0,0,0|1,0,1]=4 1328 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [1,1,0,0,0,0|1,0,1]=4 1329 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [1,1,0,0,0,0|1,0,1]=4 1330 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [1,1,0,0,0,0|1,0,1]=4 1331 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,1,0,0,0,0|1,0,0]=3 1332 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,1,0,0,0,0|1,0,0]=3 1333 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,1,0,0,0,0|1,0,0]=3 1334 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,1,0,0,0,0|1,0,0]=3 1335 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|1,0,0]=3 1336 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [1,1,0,0,0,0|2,0,0]=4 1339 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [1,1,0,0,0,0|2,0,0]=4 1340 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|1,0,0]=3 1344 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|1,0,0]=3 1345 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|1,0,0]=3 1346 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|1,0,0]=3 1347 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|1,0,0]=3 1348 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|1,0,0]=3 1349 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|1,0,0]=3 1350 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|1,0,0]=3 1351 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|1,0,0]=3 1352 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|1,0,0]=3 1353 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|1,0,0]=3 1354 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,1,0,0,0,0|2,0,0]=4 1358 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,1,0,0,0,0|2,0,0]=4 1359 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1360 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1361 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,1,0,0,0,0|2,0,0]=4 1362 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,1,0,0,0,0|2,0,0]=4 1363 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1364 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,1,0,0,0,0|2,0,0]=4 1367 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,1,0,0,0,0|2,0,0]=4 1371 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1372 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1373 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,1,0,0,0,0|2,0,0]=4 1374 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1376 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1377 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,1,0,0,0,0|2,0,0]=4 1378 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,1,0,0,0,0|2,0,0]=4 1379 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|2,0,0]=4 1380 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|2,0,0]=4 1381 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|2,0,0]=4 1382 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|1,0,0]=3 1383 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [1,1,0,0,0,0|2,0,0]=4 1384 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [1,1,0,0,0,0|1,0,1]=4 1386 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [1,1,0,0,0,0|2,0,0]=4 1387 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [1,1,0,0,0,0|2,0,0]=4 1388 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [1,1,0,0,0,0|1,0,1]=4 1390 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [1,1,0,0,0,0|1,0,1]=4 1393 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [1,1,0,0,0,0|1,0,1]=4 1394 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,1,0,0,0,0|1,0,0]=3 1395 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [1,1,0,0,0,0|2,0,0]=4 1396 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [1,1,0,0,0,0|2,0,0]=4 1398 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [1,1,0,0,0,0|2,0,0]=4 1404 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [1,1,0,0,0,0|2,0,0]=4 1406 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [1,1,0,0,0,0|2,0,0]=4 1417 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [1,1,0,0,0,0|2,0,0]=4 1418 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [1,1,0,0,0,0|2,0,0]=4 1419 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [1,1,0,0,0,0|2,0,0]=4 1420 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [1,1,0,0,0,0|2,0,0]=4 1421 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [1,1,0,0,0,0|1,0,1]=4 1422 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [1,1,0,0,0,0|1,0,1]=4 1423 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [1,1,0,0,0,0|1,0,1]=4 1424 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [1,1,0,0,0,0|1,0,1]=4 1426 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [1,1,0,0,0,0|1,0,1]=4 1427 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [1,1,0,0,0,0|1,0,1]=4 1428 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [1,1,0,0,0,0|1,0,1]=4 1429 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [1,1,0,0,0,0|1,0,1]=4 1430 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [1,1,0,0,0,0|1,0,1]=4 1431 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [1,1,0,0,0,0|1,0,1]=4 1432 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [1,1,0,0,0,0|1,0,1]=4 1433 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [1,1,0,0,0,0|1,0,1]=4 1434 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [1,1,0,0,0,0|1,0,1]=4 1435 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [1,1,0,0,0,0|1,0,1]=4 1436 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [1,1,0,0,0,0|1,0,1]=4 1437 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [1,1,0,0,0,0|1,0,1]=4 1438 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [1,1,0,0,0,0|1,0,1]=4 1439 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [1,1,0,0,0,0|1,0,1]=4 1440 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [1,1,0,0,0,0|1,0,1]=4 1441 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [1,1,0,0,0,0|1,0,1]=4 1442 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|1,0,0]=3 1443 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|1,0,0]=3 1444 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|1,0,0]=3 1445 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|1,0,0]=3 1446 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|1,0,0]=3 1447 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,1,0,0,0,0|2,0,0]=4 1450 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,1,0,0,0,0|2,0,0]=4 1451 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,1,0|2,0,0]=4 1452 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,1,0|2,0,0]=4 1453 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,1,0|2,0,0]=4 1454 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,1,0|2,0,0]=4 1455 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,1,0|2,0,0]=4 1456 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,1,0|2,0,0]=4 1457 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,1,0|2,0,0]=4 1458 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,1,0|2,0,0]=4 1459 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,1,0|2,0,0]=4 1460 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,1,0|2,0,0]=4 1461 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,1,0|2,0,0]=4 1462 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,1,0|2,0,0]=4 1463 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,1,0|2,0,0]=4 1464 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,1,0|2,0,0]=4 1465 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,1,0|2,0,0]=4 1466 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,1,0|2,0,0]=4 1467 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,1,0|2,0,0]=4 1468 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,1,0|2,0,0]=4 1469 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,1,0|2,0,0]=4 1470 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,1,0|2,0,0]=4 1471 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,1,0|2,0,0]=4 1472 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,1,0|2,0,0]=4 1473 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,1,0|2,0,0]=4 1474 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,1,0|2,0,0]=4 1475 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,1,0|2,0,0]=4 1476 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,1,0|2,0,0]=4 1477 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,1,0|2,0,0]=4 1478 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,1,0|2,0,0]=4 1479 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,1,0|2,0,0]=4 1480 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,1,0|2,0,0]=4 1481 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,1,0|2,0,0]=4 1482 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,1,0|2,0,0]=4 1483 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,1,0|2,0,0]=4 1484 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,1,0|2,0,0]=4 1485 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,1,0|2,0,0]=4 1486 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,1,0|2,0,0]=4 1487 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,1,0|2,0,0]=4 1488 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,1,0|2,0,0]=4 1489 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,1,0|2,0,0]=4 1490 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,1,0|2,0,0]=4 1491 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,1,0|2,0,0]=4 1492 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,1,0|2,0,0]=4 1493 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,1,0|2,0,0]=4 1494 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,1,0|2,0,0]=4 1495 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,1,0|2,0,0]=4 1496 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,1,0|2,0,0]=4 1497 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,1,0|2,0,0]=4 1498 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,1,0|2,0,0]=4 1499 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,1,0|2,0,0]=4 1500 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,1,0|2,0,0]=4 1501 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,0,0,1,0|2,0,0]=4 1502 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,0,0,1,0|2,0,0]=4 1503 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,1,0,0,1,0|2,0,0]=4 1504 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,0,0,1,0|2,0,0]=4 1505 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,0,0,1,0|2,0,0]=4 1506 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,0,0,1,0|2,0,0]=4 1507 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,1,0|2,0,0]=4 1508 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,1,0|2,0,0]=4 1509 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,1,0|2,0,0]=4 1510 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,1,0|2,0,0]=4 1511 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,1,0|2,0,0]=4 1512 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,1,0|1,0,0]=3 1513 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,1,0|1,0,0]=3 1514 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,1,0|1,0,0]=3 1515 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,1,0|1,0,0]=3 1516 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,1,0|0,0,0]=2 1517 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,1,0,0,1,0|1,0,0]=3 1518 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,1,0|1,0,0]=3 1519 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [0,1,0,0,1,0|0,0,2]=4 1520 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,1,0|1,0,1]=4 1521 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,1,0|2,0,0]=4 1522 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,1,0|2,0,0]=4 1523 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,1,0|2,0,0]=4 1524 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,1,0|2,0,0]=4 1525 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,1,0|2,0,0]=4 1526 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,1,0|2,0,0]=4 1527 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,1,0|2,0,0]=4 1528 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,1,0|2,0,0]=4 1529 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,1,0|1,0,1]=4 1530 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,1,0|2,0,0]=4 1531 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,1,0|0,0,0]=2 1532 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,1,0,0,1,0|1,0,0]=3 1533 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,1,0|1,0,0]=3 1534 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [0,1,0,0,1,0|0,0,2]=4 1535 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,1,0|2,0,0]=4 1536 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,1,0|2,0,0]=4 1537 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,1,0|2,0,0]=4 1538 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,1,0|2,0,0]=4 1539 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200000210301 [0,1,0,0,0,1|2,0,0]=4 1540 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000746989_100000184730 [0,1,0,0,0,1|2,0,0]=4 1541 B14R1.337 CN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746989_100000187162 [0,1,0,0,0,1|2,0,0]=4 1542 B14R1.337 CN(CC(=O)O)Cc1ccccc1F 269956a_100000746989_100000187165 [0,1,0,0,0,1|2,0,0]=4 1543 B14R1.337 CN(CC(=O)O)Cc1ccccc1I 269956a_100000746989_100011216222 [0,1,0,0,0,1|2,0,0]=4 1544 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_100000746989_100000211750 [0,1,0,0,0,1|2,0,0]=4 1545 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_200000743881_200000210301 [0,1,0,0,0,1|2,0,0]=4 1546 B14R1.337 Cc1ccccc1CN([13CH3])CC(=O)O 269956a_200000743881_200025704644 [0,1,0,0,0,1|2,0,0]=4 1547 B14R1.337 [13CH3]N(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200025704644 [0,1,0,0,0,1|2,0,0]=4 1548 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,1,0,0,0,1|2,0,0]=4 1549 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,1,0,0,0,1|2,0,0]=4 1550 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,1,0,0,0,1|2,0,0]=4 1551 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,1,0,0,0,1|2,0,0]=4 1552 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,1,0,0,0,1|2,0,0]=4 1553 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,1,0,0,0,1|2,0,0]=4 1554 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 11a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 1555 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 1556 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100015343762 [0,1,0,0,0,1|1,0,1]=4 1557 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 527a_100000746547_100103153847 [0,1,0,0,0,1|1,0,1]=4 1558 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [0,1,0,0,0,1|2,0,0]=4 1559 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [0,1,0,0,0,1|2,0,0]=4 1560 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,1,0,0,0,1|2,0,0]=4 1561 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,1,0,0,0,1|2,0,0]=4 1562 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,1,0,0,0,1|0,0,0]=2 1563 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,1,0,0,0,1|2,0,0]=4 1564 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,1,0,0,0,1|0,0,0]=2 1565 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1566 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,1,0,0,0,1|2,0,0]=4 1567 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,1,0,0,0,1|2,0,0]=4 1568 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,1,0,0,0,1|2,0,0]=4 1569 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,1,0,0,0,1|2,0,0]=4 1570 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,1,0,0,0,1|2,0,0]=4 1571 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,1,0,0,0,1|2,0,0]=4 1572 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,1,0,0,0,1|2,0,0]=4 1573 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,1,0,0,0,1|2,0,0]=4 1574 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 240690a_100000238496_100000210174 [0,1,0,0,0,1|2,0,0]=4 1575 B14R1.743 CC(Cc1ccccn1)NC(=O)CO 527a_100000238496_100000210174 [0,1,0,0,0,1|2,0,0]=4 1576 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 240690a_100011207255_100000210174 [0,1,0,0,0,1|2,0,0]=4 1577 B14R1.743 CC(Cc1cccnc1)NC(=O)CO 527a_100011207255_100000210174 [0,1,0,0,0,1|2,0,0]=4 1578 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,1,0,0,0,1|1,0,1]=4 1579 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,1,0,0,0,1|2,0,0]=4 1580 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,1,0,0,0,1|2,0,0]=4 1581 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,1,0,0,0,1|2,0,0]=4 1582 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,1,0,0,0,1|2,0,0]=4 1583 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,1,0,0,0,1|2,0,0]=4 1584 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 1585 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,1,0,0,0,1|2,0,0]=4 1586 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1587 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,1,0,0,0,1|2,0,0]=4 1588 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1589 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,1,0,0,0,1|2,0,0]=4 1590 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1591 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1592 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,1,0,0,0,1|1,0,1]=4 1593 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,1,0,0,0,1|2,0,0]=4 1594 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,1,0,0,0,1|2,0,0]=4 1595 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,1,0,0,0,1|2,0,0]=4 1596 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,1,0,0,0,1|2,0,0]=4 1597 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,1,0,0,0,1|2,0,0]=4 1598 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,1,0,0,0,1|2,0,0]=4 1599 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,1,0,0,0,1|2,0,0]=4 1600 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,1,0,0,0,1|2,0,0]=4 1601 B14R1.161 CC(=O)C(C)NCc1ccccc1Br 2230a_100000689332_100009814033 [0,1,0,0,0,1|2,0,0]=4 1602 B14R1.161 CC(=O)C(C)NCc1ccccc1Cl 2230a_100000174879_100009814033 [0,1,0,0,0,1|2,0,0]=4 1603 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 34a_100000212229_100000184730 [0,1,0,0,0,1|2,0,0]=4 1604 B14R1.161 CC(=O)C(C)OCc1ccccc1Br 7a_100000756307_100000179758 [0,1,0,0,0,1|2,0,0]=4 1605 B14R1.161 CC(=O)C(C)OCc1ccccc1C 34a_100000212229_100000211839 [0,1,0,0,0,1|2,0,0]=4 1606 B14R1.161 CC(=O)C(C)OCc1ccccc1C 7a_100000698903_100000179758 [0,1,0,0,0,1|2,0,0]=4 1607 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 34a_100000212229_100000187162 [0,1,0,0,0,1|2,0,0]=4 1608 B14R1.161 CC(=O)C(C)OCc1ccccc1Cl 7a_100000210847_100000179758 [0,1,0,0,0,1|2,0,0]=4 1609 B14R1.161 CC(=O)C(C)OCc1ccccc1F 34a_100000212229_100000211605 [0,1,0,0,0,1|2,0,0]=4 1610 B14R1.161 CC(=O)C(C)OCc1ccccc1F 7a_100000211962_100000179758 [0,1,0,0,0,1|2,0,0]=4 1611 B14R1.161 CC(=O)C(C)OCc1ccccc1I 34a_100000212229_100011215278 [0,1,0,0,0,1|2,0,0]=4 1612 B14R1.161 CC(=O)C(C)OCc1ccccc1I 7a_100000187465_100000179758 [0,1,0,0,0,1|2,0,0]=4 1613 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100000184730_100009814033 [0,1,0,0,0,1|2,0,0]=4 1614 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100009814033_100000184730 [0,1,0,0,0,1|2,0,0]=4 1615 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100000211839_100009814033 [0,1,0,0,0,1|2,0,0]=4 1616 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100009814033_100000211839 [0,1,0,0,0,1|2,0,0]=4 1617 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100000187162_100009814033 [0,1,0,0,0,1|2,0,0]=4 1618 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100009814033_100000187162 [0,1,0,0,0,1|2,0,0]=4 1619 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100000211605_100009814033 [0,1,0,0,0,1|2,0,0]=4 1620 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100009814033_100000211605 [0,1,0,0,0,1|2,0,0]=4 1621 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100009814033_100011216222 [0,1,0,0,0,1|2,0,0]=4 1622 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100011216222_100009814033 [0,1,0,0,0,1|2,0,0]=4 1623 B14R1.161 CC(=O)C(O)COc1ccccc1C 1458a_100011934399_200000210301 [0,1,0,0,0,1|2,0,0]=4 1624 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 2230a_100000689332_100000702099 [0,1,0,0,0,1|2,0,0]=4 1625 B14R1.161 CC(NCc1ccccc1Br)C(=O)N 34a_100000689332_100000702099 [0,1,0,0,0,1|2,0,0]=4 1626 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 2230a_100000174879_100000702099 [0,1,0,0,0,1|2,0,0]=4 1627 B14R1.161 CC(NCc1ccccc1Cl)C(=O)N 34a_100000174879_100000702099 [0,1,0,0,0,1|2,0,0]=4 1628 B14R1.161 CC(NCc1ccccc1F)C(=O)N 34a_100000174869_100000702099 [0,1,0,0,0,1|2,0,0]=4 1629 B14R1.161 CC(NCc1ccccc1O)C(=O)N 34a_100000185550_100000702099 [0,1,0,0,0,1|2,0,0]=4 1630 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 34a_100000756307_100000702099 [0,1,0,0,0,1|2,0,0]=4 1631 B14R1.161 CC(OCc1ccccc1Br)C(=O)N 7a_100000756307_100000702099 [0,1,0,0,0,1|2,0,0]=4 1632 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 34a_100000210847_100000702099 [0,1,0,0,0,1|2,0,0]=4 1633 B14R1.161 CC(OCc1ccccc1Cl)C(=O)N 7a_100000210847_100000702099 [0,1,0,0,0,1|2,0,0]=4 1634 B14R1.161 CC(OCc1ccccc1F)C(=O)N 34a_100000211962_100000702099 [0,1,0,0,0,1|2,0,0]=4 1635 B14R1.161 CC(OCc1ccccc1F)C(=O)N 7a_100000211962_100000702099 [0,1,0,0,0,1|2,0,0]=4 1636 B14R1.161 CC(OCc1ccccc1I)C(=O)N 34a_100000187465_100000702099 [0,1,0,0,0,1|2,0,0]=4 1637 B14R1.161 CC(OCc1ccccc1I)C(=O)N 7a_100000187465_100000702099 [0,1,0,0,0,1|2,0,0]=4 1638 B14R1.161 CC(OCc1ccccc1N)C(=O)N 34a_100000212039_100000702099 [0,1,0,0,0,1|2,0,0]=4 1639 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000184730_100000702099 [0,1,0,0,0,1|2,0,0]=4 1640 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000702099_100000184730 [0,1,0,0,0,1|2,0,0]=4 1641 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000187162_100000702099 [0,1,0,0,0,1|2,0,0]=4 1642 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000702099_100000187162 [0,1,0,0,0,1|2,0,0]=4 1643 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000211605_100000702099 [0,1,0,0,0,1|2,0,0]=4 1644 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000702099_100000211605 [0,1,0,0,0,1|2,0,0]=4 1645 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100000702099_100011216222 [0,1,0,0,0,1|2,0,0]=4 1646 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100011216222_100000702099 [0,1,0,0,0,1|2,0,0]=4 1647 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 2230a_100000119354_100000184730 [0,1,0,0,0,1|2,0,0]=4 1648 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 270004a_100000119354_100000211189 [0,1,0,0,0,1|2,0,0]=4 1649 B14R1.161 C[C@@H](NCc1ccccc1Br)C(=O)N 34a_100000119354_100000184730 [0,1,0,0,0,1|2,0,0]=4 1650 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 2230a_100000119354_100000187162 [0,1,0,0,0,1|2,0,0]=4 1651 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 270004a_100000119354_100000210073 [0,1,0,0,0,1|2,0,0]=4 1652 B14R1.161 C[C@@H](NCc1ccccc1Cl)C(=O)N 34a_100000119354_100000187162 [0,1,0,0,0,1|2,0,0]=4 1653 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 2230a_100000119354_100000211605 [0,1,0,0,0,1|2,0,0]=4 1654 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 270004a_100000119354_100000210811 [0,1,0,0,0,1|2,0,0]=4 1655 B14R1.161 C[C@@H](NCc1ccccc1F)C(=O)N 34a_100000119354_100000211605 [0,1,0,0,0,1|2,0,0]=4 1656 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 2230a_100000119354_100011215278 [0,1,0,0,0,1|2,0,0]=4 1657 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 270004a_100000119354_100000010305 [0,1,0,0,0,1|2,0,0]=4 1658 B14R1.161 C[C@@H](NCc1ccccc1I)C(=O)N 34a_100000119354_100011215278 [0,1,0,0,0,1|2,0,0]=4 1659 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 34a_100000731257_100000184730 [0,1,0,0,0,1|2,0,0]=4 1660 B14R1.161 C[C@@H](OCc1ccccc1Br)C(=O)N 7a_100000731257_100000184730 [0,1,0,0,0,1|2,0,0]=4 1661 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 34a_100000731257_100000187162 [0,1,0,0,0,1|2,0,0]=4 1662 B14R1.161 C[C@@H](OCc1ccccc1Cl)C(=O)N 7a_100000731257_100000187162 [0,1,0,0,0,1|2,0,0]=4 1663 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 34a_100000731257_100000211605 [0,1,0,0,0,1|2,0,0]=4 1664 B14R1.161 C[C@@H](OCc1ccccc1F)C(=O)N 7a_100000731257_100000211605 [0,1,0,0,0,1|2,0,0]=4 1665 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 34a_100000731257_100011215278 [0,1,0,0,0,1|2,0,0]=4 1666 B14R1.161 C[C@@H](OCc1ccccc1I)C(=O)N 7a_100000731257_100011215278 [0,1,0,0,0,1|2,0,0]=4 1667 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,1,0,0,0,1|1,0,0]=3 1668 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,1,0,0,0,1|1,0,0]=3 1669 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,1,0,0,0,1|1,0,0]=3 1670 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,1,0,0,0,1|1,0,0]=3 1671 B14R1.161 C[C@H](NCc1cccnc1Br)C(=O)O 269956a_100000743915_100010140945 [0,1,0,0,0,1|2,0,0]=4 1672 B14R1.161 C[C@H](NCc1cccnc1Cl)C(=O)O 269956a_100000743915_100000045678 [0,1,0,0,0,1|2,0,0]=4 1673 B14R1.161 C[C@H](NCc1cccnc1F)C(=O)O 269956a_100000743915_100000099810 [0,1,0,0,0,1|2,0,0]=4 1674 B14R1.161 C[C@H](NCc1ccncc1Cl)C(=O)O 269956a_100000743915_100000763264 [0,1,0,0,0,1|2,0,0]=4 1675 B14R1.161 C[C@H](NCc1ncccc1Br)C(=O)O 269956a_100000743915_100025702911 [0,1,0,0,0,1|2,0,0]=4 1676 B14R1.161 C[C@H](NCc1ncccc1Cl)C(=O)O 269956a_100000743915_100000099807 [0,1,0,0,0,1|2,0,0]=4 1677 B14R1.161 C[C@H](NCc1ncccc1F)C(=O)O 269956a_100000743915_100000104219 [0,1,0,0,0,1|2,0,0]=4 1678 B14R1.161 C[C@H](NCc1ncccc1O)C(=O)O 269956a_100000743915_200020655725 [0,1,0,0,0,1|2,0,0]=4 1679 B14R1.161 C[C@H](OCc1ccccc1Br)C(=O)[O-] 7a_217856618621_100000184730 [0,1,0,0,0,1|1,0,1]=4 1680 B14R1.161 C[C@H](OCc1ccccc1Cl)C(=O)[O-] 7a_217856618621_100000187162 [0,1,0,0,0,1|1,0,1]=4 1681 B14R1.161 C[C@H](OCc1ccccc1F)C(=O)[O-] 7a_217856618621_100000211605 [0,1,0,0,0,1|1,0,1]=4 1682 B14R1.161 C[C@H](OCc1ccccc1I)C(=O)[O-] 7a_217856618621_100011215278 [0,1,0,0,0,1|1,0,1]=4 1683 B14R1.161 Cc1ccccc1CNC(C)C(=O)N 34a_100000174972_100000702099 [0,1,0,0,0,1|2,0,0]=4 1684 B14R1.161 Cc1ccccc1CNC(F)C(=O)N 34a_100000174972_100009813875 [0,1,0,0,0,1|2,0,0]=4 1685 B14R1.161 Cc1ccccc1CNC(F)C(=O)[O-] 34a_100000174972_100020610796 [0,1,0,0,0,1|1,0,1]=4 1686 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,1,0,0,0,1|1,0,0]=3 1687 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 2230a_100000119354_100000211839 [0,1,0,0,0,1|2,0,0]=4 1688 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 270004a_100000119354_100000211143 [0,1,0,0,0,1|2,0,0]=4 1689 B14R1.161 Cc1ccccc1CN[C@H](C)C(=O)N 34a_100000119354_100000211839 [0,1,0,0,0,1|2,0,0]=4 1690 B14R1.161 Cc1ccccc1COC(C)C(=O)N 34a_100000698903_100000702099 [0,1,0,0,0,1|2,0,0]=4 1691 B14R1.161 Cc1ccccc1COC(C)C(=O)N 7a_100000698903_100000702099 [0,1,0,0,0,1|2,0,0]=4 1692 B14R1.161 Cc1ccccc1COC(F)C(=O)N 34a_100000698903_100009813875 [0,1,0,0,0,1|2,0,0]=4 1693 B14R1.161 Cc1ccccc1COC(F)C(=O)N 7a_100000698903_100009813875 [0,1,0,0,0,1|2,0,0]=4 1694 B14R1.161 Cc1ccccc1COC(F)C(=O)[O-] 34a_100000698903_100020610796 [0,1,0,0,0,1|1,0,1]=4 1695 B14R1.161 Cc1ccccc1CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211839 [0,1,0,0,0,1|1,0,1]=4 1696 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 34a_100000731257_100000211839 [0,1,0,0,0,1|2,0,0]=4 1697 B14R1.161 Cc1ccccc1CO[C@H](C)C(=O)N 7a_100000731257_100000211839 [0,1,0,0,0,1|2,0,0]=4 1698 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000211839_100000702099 [0,1,0,0,0,1|2,0,0]=4 1699 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000702099_100000211839 [0,1,0,0,0,1|2,0,0]=4 1700 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100000211839_100009813875 [0,1,0,0,0,1|2,0,0]=4 1701 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100009813875_100000211839 [0,1,0,0,0,1|2,0,0]=4 1702 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100000211839_100020610796 [0,1,0,0,0,1|1,0,1]=4 1703 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100020610796_100000211839 [0,1,0,0,0,1|1,0,1]=4 1704 B14R1.161 Cc1ccccc1OCC(O)C(=O)[13CH3] 1458a_100011934399_200025704644 [0,1,0,0,0,1|2,0,0]=4 1705 B14R1.161 Cc1cccnc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000696600 [0,1,0,0,0,1|2,0,0]=4 1706 B14R1.161 Cc1ccncc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000690890 [0,1,0,0,0,1|2,0,0]=4 1707 B14R1.161 Cc1cnccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100020672808 [0,1,0,0,0,1|2,0,0]=4 1708 B14R1.161 Cc1ncccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000732876 [0,1,0,0,0,1|2,0,0]=4 1709 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 2230a_100000689332_100009813875 [0,1,0,0,0,1|2,0,0]=4 1710 B14R1.161 NC(=O)C(F)NCc1ccccc1Br 34a_100000689332_100009813875 [0,1,0,0,0,1|2,0,0]=4 1711 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 2230a_100000174879_100009813875 [0,1,0,0,0,1|2,0,0]=4 1712 B14R1.161 NC(=O)C(F)NCc1ccccc1Cl 34a_100000174879_100009813875 [0,1,0,0,0,1|2,0,0]=4 1713 B14R1.161 NC(=O)C(F)NCc1ccccc1F 34a_100000174869_100009813875 [0,1,0,0,0,1|2,0,0]=4 1714 B14R1.161 NC(=O)C(F)NCc1ccccc1O 34a_100000185550_100009813875 [0,1,0,0,0,1|2,0,0]=4 1715 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 34a_100000756307_100009813875 [0,1,0,0,0,1|2,0,0]=4 1716 B14R1.161 NC(=O)C(F)OCc1ccccc1Br 7a_100000756307_100009813875 [0,1,0,0,0,1|2,0,0]=4 1717 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 34a_100000210847_100009813875 [0,1,0,0,0,1|2,0,0]=4 1718 B14R1.161 NC(=O)C(F)OCc1ccccc1Cl 7a_100000210847_100009813875 [0,1,0,0,0,1|2,0,0]=4 1719 B14R1.161 NC(=O)C(F)OCc1ccccc1F 34a_100000211962_100009813875 [0,1,0,0,0,1|2,0,0]=4 1720 B14R1.161 NC(=O)C(F)OCc1ccccc1F 7a_100000211962_100009813875 [0,1,0,0,0,1|2,0,0]=4 1721 B14R1.161 NC(=O)C(F)OCc1ccccc1I 34a_100000187465_100009813875 [0,1,0,0,0,1|2,0,0]=4 1722 B14R1.161 NC(=O)C(F)OCc1ccccc1I 7a_100000187465_100009813875 [0,1,0,0,0,1|2,0,0]=4 1723 B14R1.161 NC(=O)C(F)OCc1ccccc1N 34a_100000212039_100009813875 [0,1,0,0,0,1|2,0,0]=4 1724 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100000184730_100009813875 [0,1,0,0,0,1|2,0,0]=4 1725 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100009813875_100000184730 [0,1,0,0,0,1|2,0,0]=4 1726 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100000187162_100009813875 [0,1,0,0,0,1|2,0,0]=4 1727 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100009813875_100000187162 [0,1,0,0,0,1|2,0,0]=4 1728 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100000211605_100009813875 [0,1,0,0,0,1|2,0,0]=4 1729 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100009813875_100000211605 [0,1,0,0,0,1|2,0,0]=4 1730 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100009813875_100011216222 [0,1,0,0,0,1|2,0,0]=4 1731 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100011216222_100009813875 [0,1,0,0,0,1|2,0,0]=4 1732 B14R1.161 Nc1ccccc1COC(F)C(=O)[O-] 34a_100000212039_100020610796 [0,1,0,0,0,1|1,0,1]=4 1733 B14R1.161 O=C([O-])C(F)NCc1ccccc1Br 34a_100000689332_100020610796 [0,1,0,0,0,1|1,0,1]=4 1734 B14R1.161 O=C([O-])C(F)NCc1ccccc1Cl 34a_100000174879_100020610796 [0,1,0,0,0,1|1,0,1]=4 1735 B14R1.161 O=C([O-])C(F)NCc1ccccc1F 34a_100000174869_100020610796 [0,1,0,0,0,1|1,0,1]=4 1736 B14R1.161 O=C([O-])C(F)NCc1ccccc1O 34a_100000185550_100020610796 [0,1,0,0,0,1|1,0,1]=4 1737 B14R1.161 O=C([O-])C(F)OCc1ccccc1Br 34a_100000756307_100020610796 [0,1,0,0,0,1|1,0,1]=4 1738 B14R1.161 O=C([O-])C(F)OCc1ccccc1Cl 34a_100000210847_100020610796 [0,1,0,0,0,1|1,0,1]=4 1739 B14R1.161 O=C([O-])C(F)OCc1ccccc1F 34a_100000211962_100020610796 [0,1,0,0,0,1|1,0,1]=4 1740 B14R1.161 O=C([O-])C(F)OCc1ccccc1I 34a_100000187465_100020610796 [0,1,0,0,0,1|1,0,1]=4 1741 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100000184730_100020610796 [0,1,0,0,0,1|1,0,1]=4 1742 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100020610796_100000184730 [0,1,0,0,0,1|1,0,1]=4 1743 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100000187162_100020610796 [0,1,0,0,0,1|1,0,1]=4 1744 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100020610796_100000187162 [0,1,0,0,0,1|1,0,1]=4 1745 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100000211605_100020610796 [0,1,0,0,0,1|1,0,1]=4 1746 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100020610796_100000211605 [0,1,0,0,0,1|1,0,1]=4 1747 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100011216222_100020610796 [0,1,0,0,0,1|1,0,1]=4 1748 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100020610796_100011216222 [0,1,0,0,0,1|1,0,1]=4 1749 B14R1.415 CC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100009814033 [0,1,0,0,0,1|2,0,0]=4 1750 B14R1.415 CC(=O)C(C)OC(C)c1ccccc1 34a_100000212229_100000211855 [0,1,0,0,0,1|2,0,0]=4 1751 B14R1.415 CC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100000179758 [0,1,0,0,0,1|2,0,0]=4 1752 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,1,0,0,0,1|2,0,0]=4 1753 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,1,0,0,0,1|2,0,0]=4 1754 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,1,0,0,0,1|1,0,0]=3 1755 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,1,0,0,0,1|2,0,0]=4 1756 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,1,0,0,0,1|2,0,0]=4 1757 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,1,0,0,0,1|2,0,0]=4 1758 B14R1.415 CC(O[C@@H](C)C(=O)[O-])c1ccccc1 7a_217856618621_100000230085 [0,1,0,0,0,1|1,0,1]=4 1759 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,1,0,0,0,1|2,0,0]=4 1760 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,1,0,0,0,1|2,0,0]=4 1761 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,1,0,0,0,1|2,0,0]=4 1762 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,1,0,0,0,1|2,0,0]=4 1763 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,1,0,0,0,1|2,0,0]=4 1764 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,1,0,0,0,1|2,0,0]=4 1765 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,1,0,0,0,1|2,0,0]=4 1766 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,1,0,0,0,1|2,0,0]=4 1767 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100000230085_100020610796 [0,1,0,0,0,1|1,0,1]=4 1768 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000230085 [0,1,0,0,0,1|1,0,1]=4 1769 B14R1.415 C[C@@H](NC(F)C(=O)N)c1ccccc1 2230a_100000751104_100009813875 [0,1,0,0,0,1|2,0,0]=4 1770 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 34a_100000761318_100009813875 [0,1,0,0,0,1|2,0,0]=4 1771 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 7a_100000761318_100009813875 [0,1,0,0,0,1|2,0,0]=4 1772 B14R1.415 C[C@@H](OC(F)C(=O)[O-])c1ccccc1 34a_100000761318_100020610796 [0,1,0,0,0,1|1,0,1]=4 1773 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Br 2230a_100000174875_100009814033 [0,1,0,0,0,1|2,0,0]=4 1774 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)C 2230a_100000174908_100009814033 [0,1,0,0,0,1|2,0,0]=4 1775 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)Cl 2230a_100000174871_100009814033 [0,1,0,0,0,1|2,0,0]=4 1776 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)F 2230a_100000174882_100009814033 [0,1,0,0,0,1|2,0,0]=4 1777 B14R1.679 CC(=O)C(C)NCc1ccc(cc1)I 2230a_100016989417_100009814033 [0,1,0,0,0,1|2,0,0]=4 1778 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Br 34a_100000212229_100000189115 [0,1,0,0,0,1|2,0,0]=4 1779 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 34a_100000212229_100000210814 [0,1,0,0,0,1|2,0,0]=4 1780 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)C 7a_100011215236_100000179758 [0,1,0,0,0,1|2,0,0]=4 1781 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 34a_100000212229_100000694040 [0,1,0,0,0,1|2,0,0]=4 1782 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)Cl 7a_100000211118_100000179758 [0,1,0,0,0,1|2,0,0]=4 1783 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 34a_100000212229_100000198546 [0,1,0,0,0,1|2,0,0]=4 1784 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)F 7a_100000210977_100000179758 [0,1,0,0,0,1|2,0,0]=4 1785 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 34a_100000212229_100000189116 [0,1,0,0,0,1|2,0,0]=4 1786 B14R1.679 CC(=O)C(C)OCc1ccc(cc1)I 7a_100000690907_100000179758 [0,1,0,0,0,1|2,0,0]=4 1787 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100009814033 [0,1,0,0,0,1|2,0,0]=4 1788 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100009814033_100000189115 [0,1,0,0,0,1|2,0,0]=4 1789 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100009814033 [0,1,0,0,0,1|2,0,0]=4 1790 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100009814033_100000210814 [0,1,0,0,0,1|2,0,0]=4 1791 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_200000210301 [0,1,0,0,0,1|2,0,0]=4 1792 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100009814033 [0,1,0,0,0,1|2,0,0]=4 1793 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100009814033_100000187161 [0,1,0,0,0,1|2,0,0]=4 1794 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100009814033 [0,1,0,0,0,1|2,0,0]=4 1795 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100009814033_100000187164 [0,1,0,0,0,1|2,0,0]=4 1796 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100009814033 [0,1,0,0,0,1|2,0,0]=4 1797 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100009814033_100000189116 [0,1,0,0,0,1|2,0,0]=4 1798 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 2230a_100000174875_100000702099 [0,1,0,0,0,1|2,0,0]=4 1799 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)N 34a_100000174875_100000702099 [0,1,0,0,0,1|2,0,0]=4 1800 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 2230a_100000174871_100000702099 [0,1,0,0,0,1|2,0,0]=4 1801 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)N 34a_100000174871_100000702099 [0,1,0,0,0,1|2,0,0]=4 1802 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 2230a_100000174882_100000702099 [0,1,0,0,0,1|2,0,0]=4 1803 B14R1.679 CC(NCc1ccc(cc1)F)C(=O)N 34a_100000174882_100000702099 [0,1,0,0,0,1|2,0,0]=4 1804 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 2230a_100016989417_100000702099 [0,1,0,0,0,1|2,0,0]=4 1805 B14R1.679 CC(NCc1ccc(cc1)I)C(=O)N 34a_100016989417_100000702099 [0,1,0,0,0,1|2,0,0]=4 1806 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [0,1,0,0,0,1|2,0,0]=4 1807 B14R1.679 CC(OCc1ccc(cc1)Br)C(=O)N 34a_100000695286_100000702099 [0,1,0,0,0,1|2,0,0]=4 1808 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 34a_100000211118_100000702099 [0,1,0,0,0,1|2,0,0]=4 1809 B14R1.679 CC(OCc1ccc(cc1)Cl)C(=O)N 7a_100000211118_100000702099 [0,1,0,0,0,1|2,0,0]=4 1810 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 34a_100000210977_100000702099 [0,1,0,0,0,1|2,0,0]=4 1811 B14R1.679 CC(OCc1ccc(cc1)F)C(=O)N 7a_100000210977_100000702099 [0,1,0,0,0,1|2,0,0]=4 1812 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 34a_100000690907_100000702099 [0,1,0,0,0,1|2,0,0]=4 1813 B14R1.679 CC(OCc1ccc(cc1)I)C(=O)N 7a_100000690907_100000702099 [0,1,0,0,0,1|2,0,0]=4 1814 B14R1.679 CC(OCc1ccc(cc1)N)C(=O)N 34a_100011215238_100000702099 [0,1,0,0,0,1|2,0,0]=4 1815 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000189115_100000702099 [0,1,0,0,0,1|2,0,0]=4 1816 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000189115 [0,1,0,0,0,1|2,0,0]=4 1817 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_100000702099 [0,1,0,0,0,1|2,0,0]=4 1818 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000187161 [0,1,0,0,0,1|2,0,0]=4 1819 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000149568_200025704644 [0,1,0,0,0,1|2,0,0]=4 1820 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000198546_100000702099 [0,1,0,0,0,1|2,0,0]=4 1821 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000702099_100000187164 [0,1,0,0,0,1|2,0,0]=4 1822 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702099 [0,1,0,0,0,1|2,0,0]=4 1823 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000702099_100000189116 [0,1,0,0,0,1|2,0,0]=4 1824 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000119354_100011217064 [0,1,0,0,0,1|2,0,0]=4 1825 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 270004a_100000119354_100000186029 [0,1,0,0,0,1|2,0,0]=4 1826 B14R1.679 C[C@@H](NCc1ccc(cc1)Br)C(=O)N 34a_100000119354_100000189115 [0,1,0,0,0,1|2,0,0]=4 1827 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000119354_100000694040 [0,1,0,0,0,1|2,0,0]=4 1828 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 270004a_100000119354_100000189385 [0,1,0,0,0,1|2,0,0]=4 1829 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)N 34a_100000119354_100000694040 [0,1,0,0,0,1|2,0,0]=4 1830 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000119354_100000198546 [0,1,0,0,0,1|2,0,0]=4 1831 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 270004a_100000119354_100000210084 [0,1,0,0,0,1|2,0,0]=4 1832 B14R1.679 C[C@@H](NCc1ccc(cc1)F)C(=O)N 34a_100000119354_100000198546 [0,1,0,0,0,1|2,0,0]=4 1833 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000119354_100000189116 [0,1,0,0,0,1|2,0,0]=4 1834 B14R1.679 C[C@@H](NCc1ccc(cc1)I)C(=O)N 34a_100000119354_100000189116 [0,1,0,0,0,1|2,0,0]=4 1835 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 34a_100000731257_100000189115 [0,1,0,0,0,1|2,0,0]=4 1836 B14R1.679 C[C@@H](OCc1ccc(cc1)Br)C(=O)N 7a_100000731257_100011217064 [0,1,0,0,0,1|2,0,0]=4 1837 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 34a_100000731257_100000694040 [0,1,0,0,0,1|2,0,0]=4 1838 B14R1.679 C[C@@H](OCc1ccc(cc1)Cl)C(=O)N 7a_100000731257_100000187161 [0,1,0,0,0,1|2,0,0]=4 1839 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 34a_100000731257_100000198546 [0,1,0,0,0,1|2,0,0]=4 1840 B14R1.679 C[C@@H](OCc1ccc(cc1)F)C(=O)N 7a_100000731257_100000198546 [0,1,0,0,0,1|2,0,0]=4 1841 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 34a_100000731257_100000189116 [0,1,0,0,0,1|2,0,0]=4 1842 B14R1.679 C[C@@H](OCc1ccc(cc1)I)C(=O)N 7a_100000731257_100000189116 [0,1,0,0,0,1|2,0,0]=4 1843 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,1,0,0,0,1|1,0,0]=3 1844 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,1,0,0,0,1|1,0,0]=3 1845 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,1,0,0,0,1|1,0,0]=3 1846 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,1,0,0,0,1|1,0,0]=3 1847 B14R1.679 C[C@H](NCc1ccc(cn1)Br)C(=O)O 269956a_100000743915_100000702658 [0,1,0,0,0,1|2,0,0]=4 1848 B14R1.679 C[C@H](NCc1ccc(cn1)Cl)C(=O)O 269956a_100000743915_100012066911 [0,1,0,0,0,1|2,0,0]=4 1849 B14R1.679 C[C@H](NCc1ccc(cn1)F)C(=O)O 269956a_100000743915_100000703193 [0,1,0,0,0,1|2,0,0]=4 1850 B14R1.679 C[C@H](NCc1ccc(nc1)Br)C(=O)O 269956a_100000743915_100009831999 [0,1,0,0,0,1|2,0,0]=4 1851 B14R1.679 C[C@H](NCc1ccc(nc1)Cl)C(=O)O 269956a_100000743915_100000735431 [0,1,0,0,0,1|2,0,0]=4 1852 B14R1.679 C[C@H](NCc1ccc(nc1)F)C(=O)O 269956a_100000743915_100009820150 [0,1,0,0,0,1|2,0,0]=4 1853 B14R1.679 C[C@H](OCc1ccc(cc1)Br)C(=O)[O-] 7a_217856618621_100011217064 [0,1,0,0,0,1|1,0,1]=4 1854 B14R1.679 C[C@H](OCc1ccc(cc1)Cl)C(=O)[O-] 7a_217856618621_100000187161 [0,1,0,0,0,1|1,0,1]=4 1855 B14R1.679 C[C@H](OCc1ccc(cc1)F)C(=O)[O-] 7a_217856618621_100000198546 [0,1,0,0,0,1|1,0,1]=4 1856 B14R1.679 C[C@H](OCc1ccc(cc1)I)C(=O)[O-] 7a_217856618621_100000189116 [0,1,0,0,0,1|1,0,1]=4 1857 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 2230a_100000174908_100000702099 [0,1,0,0,0,1|2,0,0]=4 1858 B14R1.679 Cc1ccc(cc1)CNC(C)C(=O)N 34a_100000174908_100000702099 [0,1,0,0,0,1|2,0,0]=4 1859 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 2230a_100000174908_100009813875 [0,1,0,0,0,1|2,0,0]=4 1860 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)N 34a_100000174908_100009813875 [0,1,0,0,0,1|2,0,0]=4 1861 B14R1.679 Cc1ccc(cc1)CNC(F)C(=O)[O-] 34a_100000174908_100020610796 [0,1,0,0,0,1|1,0,1]=4 1862 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,1,0,0,0,1|1,0,0]=3 1863 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 2230a_100000119354_100000210814 [0,1,0,0,0,1|2,0,0]=4 1864 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211033 [0,1,0,0,0,1|2,0,0]=4 1865 B14R1.679 Cc1ccc(cc1)CN[C@H](C)C(=O)N 34a_100000119354_100000210814 [0,1,0,0,0,1|2,0,0]=4 1866 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 34a_100011215236_100000702099 [0,1,0,0,0,1|2,0,0]=4 1867 B14R1.679 Cc1ccc(cc1)COC(C)C(=O)N 7a_100011215236_100000702099 [0,1,0,0,0,1|2,0,0]=4 1868 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 34a_100011215236_100009813875 [0,1,0,0,0,1|2,0,0]=4 1869 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)N 7a_100011215236_100009813875 [0,1,0,0,0,1|2,0,0]=4 1870 B14R1.679 Cc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215236_100020610796 [0,1,0,0,0,1|1,0,1]=4 1871 B14R1.679 Cc1ccc(cc1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210814 [0,1,0,0,0,1|1,0,1]=4 1872 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 34a_100000731257_100000210814 [0,1,0,0,0,1|2,0,0]=4 1873 B14R1.679 Cc1ccc(cc1)CO[C@H](C)C(=O)N 7a_100000731257_100000210814 [0,1,0,0,0,1|2,0,0]=4 1874 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000210814_100000702099 [0,1,0,0,0,1|2,0,0]=4 1875 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000702099_100000210814 [0,1,0,0,0,1|2,0,0]=4 1876 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100000210814_100009813875 [0,1,0,0,0,1|2,0,0]=4 1877 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100009813875_100000210814 [0,1,0,0,0,1|2,0,0]=4 1878 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100000210814_100020610796 [0,1,0,0,0,1|1,0,1]=4 1879 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100020610796_100000210814 [0,1,0,0,0,1|1,0,1]=4 1880 B14R1.679 Cc1ccc(cn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016987292 [0,1,0,0,0,1|2,0,0]=4 1881 B14R1.679 Cc1ccc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000691093 [0,1,0,0,0,1|2,0,0]=4 1882 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 2230a_100000174875_100009813875 [0,1,0,0,0,1|2,0,0]=4 1883 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Br 34a_100000174875_100009813875 [0,1,0,0,0,1|2,0,0]=4 1884 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 2230a_100000174871_100009813875 [0,1,0,0,0,1|2,0,0]=4 1885 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)Cl 34a_100000174871_100009813875 [0,1,0,0,0,1|2,0,0]=4 1886 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 2230a_100000174882_100009813875 [0,1,0,0,0,1|2,0,0]=4 1887 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)F 34a_100000174882_100009813875 [0,1,0,0,0,1|2,0,0]=4 1888 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 2230a_100016989417_100009813875 [0,1,0,0,0,1|2,0,0]=4 1889 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)I 34a_100016989417_100009813875 [0,1,0,0,0,1|2,0,0]=4 1890 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [0,1,0,0,0,1|2,0,0]=4 1891 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Br 34a_100000695286_100009813875 [0,1,0,0,0,1|2,0,0]=4 1892 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 34a_100000211118_100009813875 [0,1,0,0,0,1|2,0,0]=4 1893 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)Cl 7a_100000211118_100009813875 [0,1,0,0,0,1|2,0,0]=4 1894 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 34a_100000210977_100009813875 [0,1,0,0,0,1|2,0,0]=4 1895 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)F 7a_100000210977_100009813875 [0,1,0,0,0,1|2,0,0]=4 1896 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 34a_100000690907_100009813875 [0,1,0,0,0,1|2,0,0]=4 1897 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)I 7a_100000690907_100009813875 [0,1,0,0,0,1|2,0,0]=4 1898 B14R1.679 NC(=O)C(F)OCc1ccc(cc1)N 34a_100011215238_100009813875 [0,1,0,0,0,1|2,0,0]=4 1899 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100000189115_100009813875 [0,1,0,0,0,1|2,0,0]=4 1900 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100009813875_100000189115 [0,1,0,0,0,1|2,0,0]=4 1901 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100000187161_100009813875 [0,1,0,0,0,1|2,0,0]=4 1902 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100009813875_100000187161 [0,1,0,0,0,1|2,0,0]=4 1903 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100000198546_100009813875 [0,1,0,0,0,1|2,0,0]=4 1904 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100009813875_100000187164 [0,1,0,0,0,1|2,0,0]=4 1905 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813875 [0,1,0,0,0,1|2,0,0]=4 1906 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100009813875_100000189116 [0,1,0,0,0,1|2,0,0]=4 1907 B14R1.679 Nc1ccc(cc1)COC(F)C(=O)[O-] 34a_100011215238_100020610796 [0,1,0,0,0,1|1,0,1]=4 1908 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Br 34a_100000174875_100020610796 [0,1,0,0,0,1|1,0,1]=4 1909 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)Cl 34a_100000174871_100020610796 [0,1,0,0,0,1|1,0,1]=4 1910 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)F 34a_100000174882_100020610796 [0,1,0,0,0,1|1,0,1]=4 1911 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)I 34a_100016989417_100020610796 [0,1,0,0,0,1|1,0,1]=4 1912 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [0,1,0,0,0,1|1,0,1]=4 1913 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Br 34a_100000695286_100020610796 [0,1,0,0,0,1|1,0,1]=4 1914 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)Cl 34a_100000211118_100020610796 [0,1,0,0,0,1|1,0,1]=4 1915 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)F 34a_100000210977_100020610796 [0,1,0,0,0,1|1,0,1]=4 1916 B14R1.679 O=C([O-])C(F)OCc1ccc(cc1)I 34a_100000690907_100020610796 [0,1,0,0,0,1|1,0,1]=4 1917 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100000189115_100020610796 [0,1,0,0,0,1|1,0,1]=4 1918 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100020610796_100000189115 [0,1,0,0,0,1|1,0,1]=4 1919 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100000187161_100020610796 [0,1,0,0,0,1|1,0,1]=4 1920 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100020610796_100000187161 [0,1,0,0,0,1|1,0,1]=4 1921 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100000198546_100020610796 [0,1,0,0,0,1|1,0,1]=4 1922 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100020610796_100000187164 [0,1,0,0,0,1|1,0,1]=4 1923 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100000189116_100020610796 [0,1,0,0,0,1|1,0,1]=4 1924 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100020610796_100000189116 [0,1,0,0,0,1|1,0,1]=4 1925 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,1,0,0,0,1|1,0,1]=4 1926 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,1,0,0,0,1|1,0,1]=4 1927 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,1,0,0,0,1|1,0,1]=4 1928 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,1,0,0,0,1|1,0,1]=4 1929 B14R1.756 CC(CCc1ccccc1)C(=O)CF 1458a_100011435293_100015361967 [0,1,0,0,0,1|2,0,0]=4 1930 B14R1.756 CC(OCc1ccccc1)C(=O)NN 34a_100000725659_100015291786 [0,1,0,0,0,1|2,0,0]=4 1931 B14R1.756 CC(SCc1ccccc1)C(=O)CF 1458a_100000149570_100015361967 [0,1,0,0,0,1|2,0,0]=4 1932 B14R1.756 CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210202 [0,1,0,0,0,1|2,0,0]=4 1933 B14R1.756 CCC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000742827 [0,1,0,0,0,1|2,0,0]=4 1934 B14R1.756 CCC(=O)C(C)OCc1ccccc1 7a_100000210790_100000742827 [0,1,0,0,0,1|2,0,0]=4 1935 B14R1.756 CCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000210202 [0,1,0,0,0,1|2,0,0]=4 1936 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000211182_100000742827 [0,1,0,0,0,1|2,0,0]=4 1937 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000742827_100015291786 [0,1,0,0,0,1|2,0,0]=4 1938 B14R1.756 CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210202 [0,1,0,0,0,1|2,0,0]=4 1939 B14R1.756 CCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000210202 [0,1,0,0,0,1|2,0,0]=4 1940 B14R1.756 CN(CCc1ccccc1)C(=O)CO 240690a_100000207497_100000210174 [0,1,0,0,0,1|2,0,0]=4 1941 B14R1.756 CN(CCc1ccccc1)C(=O)CO 527a_100000207497_100000210174 [0,1,0,0,0,1|2,0,0]=4 1942 B14R1.756 CNC(=O)C(C)CCc1ccccc1 11a_106832991635_100011435293 [0,1,0,0,0,1|2,0,0]=4 1943 B14R1.756 CNC(=O)C(C)CCc1ccccc1 1626a_100102657272_100011435293 [0,1,0,0,0,1|2,0,0]=4 1944 B14R1.756 CNC(=O)C(C)CCc1ccccc1 240690a_100102657272_100011435293 [0,1,0,0,0,1|2,0,0]=4 1945 B14R1.756 CNC(=O)C(C)CCc1ccccc1 527a_100102657272_100011435293 [0,1,0,0,0,1|2,0,0]=4 1946 B14R1.756 CNC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000731044 [0,1,0,0,0,1|2,0,0]=4 1947 B14R1.756 CNC(=O)C(C)NCc1ccccc1 34a_100015324214_100000731044 [0,1,0,0,0,1|2,0,0]=4 1948 B14R1.756 CNC(=O)C(C)OCc1ccccc1 34a_100000210790_100000731044 [0,1,0,0,0,1|2,0,0]=4 1949 B14R1.756 CNC(=O)C(C)OCc1ccccc1 7a_100000210790_100000209862 [0,1,0,0,0,1|2,0,0]=4 1950 B14R1.756 CNC(=O)C(C)SCc1ccccc1 11a_106832991635_100000149570 [0,1,0,0,0,1|2,0,0]=4 1951 B14R1.756 CNC(=O)C(C)SCc1ccccc1 1626a_100102657272_100000149570 [0,1,0,0,0,1|2,0,0]=4 1952 B14R1.756 CNC(=O)C(C)SCc1ccccc1 240690a_100102657272_100000149570 [0,1,0,0,0,1|2,0,0]=4 1953 B14R1.756 CNC(=O)C(C)SCc1ccccc1 527a_100102657272_100000149570 [0,1,0,0,0,1|2,0,0]=4 1954 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000209862_100015291786 [0,1,0,0,0,1|2,0,0]=4 1955 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000211182_100000731044 [0,1,0,0,0,1|2,0,0]=4 1956 B14R1.756 CNC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813575 [0,1,0,0,0,1|2,0,0]=4 1957 B14R1.756 CNC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813575 [0,1,0,0,0,1|2,0,0]=4 1958 B14R1.756 CNC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813575 [0,1,0,0,0,1|2,0,0]=4 1959 B14R1.756 CNC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813575 [0,1,0,0,0,1|2,0,0]=4 1960 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813575 [0,1,0,0,0,1|2,0,0]=4 1961 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100009813575_100015291786 [0,1,0,0,0,1|2,0,0]=4 1962 B14R1.756 CNC(=O)C(O)CCc1ccccc1 240690a_100102657272_100000242596 [0,1,0,0,0,1|2,0,0]=4 1963 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 2230a_100000684985_100015291786 [0,1,0,0,0,1|2,0,0]=4 1964 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 34a_100000684985_100015291786 [0,1,0,0,0,1|2,0,0]=4 1965 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 11a_106832991635_100000703211 [0,1,0,0,0,1|2,0,0]=4 1966 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 1626a_100102657272_100000703211 [0,1,0,0,0,1|2,0,0]=4 1967 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 240690a_100102657272_100000703211 [0,1,0,0,0,1|2,0,0]=4 1968 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 527a_100102657272_100000703211 [0,1,0,0,0,1|2,0,0]=4 1969 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [0,1,0,0,0,1|1,0,1]=4 1970 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [0,1,0,0,0,1|1,0,1]=4 1971 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [0,1,0,0,0,1|1,0,1]=4 1972 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [0,1,0,0,0,1|1,0,1]=4 1973 B14R1.756 COC(=O)C(=O)NCc1ccccc1 11a_100015324214_100000024059 [0,1,0,0,0,1|1,0,1]=4 1974 B14R1.756 COC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100000024059 [0,1,0,0,0,1|1,0,1]=4 1975 B14R1.756 COC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100000024059 [0,1,0,0,0,1|1,0,1]=4 1976 B14R1.756 COC(=O)C(=O)NCc1ccccc1 527a_100015324214_100000024059 [0,1,0,0,0,1|1,0,1]=4 1977 B14R1.756 COC(=O)C(C)CNc1ccccc1 34a_100000106764_100000698445 [0,1,0,0,0,1|1,0,0]=3 1978 B14R1.756 COC(=O)C(C)COc1ccccc1 34a_100000210340_100000698445 [0,1,0,0,0,1|1,0,0]=3 1979 B14R1.756 COC(=O)C(C)COc1cccnc1 34a_100000210849_100000698445 [0,1,0,0,0,1|2,0,0]=4 1980 B14R1.756 COC(=O)C(C)COc1ccncc1 34a_100000212176_100000698445 [0,1,0,0,0,1|2,0,0]=4 1981 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000698445_100000041952 [0,1,0,0,0,1|1,0,0]=3 1982 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000719477_100000698445 [0,1,0,0,0,1|1,0,0]=3 1983 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100000698445_100011216584 [0,1,0,0,0,1|2,0,0]=4 1984 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100011216584_100000698445 [0,1,0,0,0,1|2,0,0]=4 1985 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000210063_100000698445 [0,1,0,0,0,1|2,0,0]=4 1986 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000698445_100000210063 [0,1,0,0,0,1|2,0,0]=4 1987 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000698445_100000728582 [0,1,0,0,0,1|2,0,0]=4 1988 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000728582_100000698445 [0,1,0,0,0,1|2,0,0]=4 1989 B14R1.756 COC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000211248 [0,1,0,0,0,1|1,0,0]=3 1990 B14R1.756 COC(=O)C(C)NCc1ccccc1 34a_100015324214_100000211248 [0,1,0,0,0,1|1,0,0]=3 1991 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100000210790_100000211248 [0,1,0,0,0,1|1,0,0]=3 1992 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100011215400_100015291786 [0,1,0,0,0,1|1,0,0]=3 1993 B14R1.756 COC(=O)C(C)OCc1ccccc1 7a_100000210790_100000211248 [0,1,0,0,0,1|1,0,0]=3 1994 B14R1.756 COC(=O)C(C)OCc1ccccn1 34a_100011215400_100000721315 [0,1,0,0,0,1|2,0,0]=4 1995 B14R1.756 COC(=O)C(C)OCc1cccnc1 34a_100011215400_100000733263 [0,1,0,0,0,1|2,0,0]=4 1996 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211182_100000211248 [0,1,0,0,0,1|1,0,0]=3 1997 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211248_100015291786 [0,1,0,0,0,1|1,0,0]=3 1998 B14R1.756 COC(=O)C(C)SCc1ccccn1 62a_100000211248_100000721315 [0,1,0,0,0,1|2,0,0]=4 1999 B14R1.756 COC(=O)C(C)SCc1ccccn1 62a_100000721315_100000211248 [0,1,0,0,0,1|2,0,0]=4 2000 B14R1.756 COC(=O)C(C)SCc1cccnc1 62a_100000211248_100000741622 [0,1,0,0,0,1|2,0,0]=4 2001 B14R1.756 COC(=O)C(C)SCc1cccnc1 62a_100000741622_100000211248 [0,1,0,0,0,1|2,0,0]=4 2002 B14R1.756 COC(=O)C(C)SCc1ccncc1 62a_100000211248_100015193705 [0,1,0,0,0,1|2,0,0]=4 2003 B14R1.756 COC(=O)C(C)SCc1ccncc1 62a_100015193705_100000211248 [0,1,0,0,0,1|2,0,0]=4 2004 B14R1.756 C[C@H](OCc1ccccc1)C(=O)CF 1458a_100000703211_100015361967 [0,1,0,0,0,1|2,0,0]=4 2005 B14R1.756 O=C(CF)C(O)CCc1ccccc1 1458a_100000242596_100015361967 [0,1,0,0,0,1|2,0,0]=4 2006 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,1,0,0,0,1|1,0,0]=3 2007 B14R1.4194 C=C[C@H](NCc1ccccn1)C(=O)O 269956a_100016992060_100000721315 [0,1,0,0,0,1|2,0,0]=4 2008 B14R1.4194 C=C[C@H](NCc1cccnc1)C(=O)O 269956a_100016992060_100000733263 [0,1,0,0,0,1|2,0,0]=4 2009 B14R1.4194 C=C[C@H](NCc1ccncc1)C(=O)O 269956a_100016992060_100015193705 [0,1,0,0,0,1|2,0,0]=4 2010 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100000733705_100015291786 [0,1,0,0,0,1|2,0,0]=4 2011 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000750255 [0,1,0,0,0,1|2,0,0]=4 2012 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100000733705_100015291786 [0,1,0,0,0,1|2,0,0]=4 2013 B14R1.4194 CCC(NCc1ccccc1)C(=O)N 34a_100015324214_100000750255 [0,1,0,0,0,1|2,0,0]=4 2014 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 34a_100000210790_100000750255 [0,1,0,0,0,1|2,0,0]=4 2015 B14R1.4194 CCC(OCc1ccccc1)C(=O)N 7a_100000210790_100000750255 [0,1,0,0,0,1|2,0,0]=4 2016 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000211182_100000750255 [0,1,0,0,0,1|2,0,0]=4 2017 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000750255_100015291786 [0,1,0,0,0,1|2,0,0]=4 2018 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,1,0,0,0,1|1,0,0]=3 2019 B14R1.4194 CC[C@@H](NCc1ccccn1)C(=O)O 269956a_100000747097_100000721315 [0,1,0,0,0,1|2,0,0]=4 2020 B14R1.4194 CC[C@@H](NCc1cccnc1)C(=O)O 269956a_100000747097_100000733263 [0,1,0,0,0,1|2,0,0]=4 2021 B14R1.4194 CC[C@@H](NCc1ccncc1)C(=O)O 269956a_100000747097_100015193705 [0,1,0,0,0,1|2,0,0]=4 2022 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,1,0,0,0,1|0,0,0]=2 2023 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 2230a_100000039599_100015291786 [0,1,0,0,0,1|1,0,1]=4 2024 B14R1.4194 N#CC(NCc1ccccc1)C(=O)N 270004a_100000039599_100015611070 [0,1,0,0,0,1|1,0,1]=4 2025 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 2230a_100000729942_100015291786 [0,1,0,0,0,1|2,0,0]=4 2026 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 270004a_100000729942_100015611070 [0,1,0,0,0,1|2,0,0]=4 2027 B14R1.4194 NC(=O)[C@H](CO)NCc1ccccc1 34a_100000729942_100015291786 [0,1,0,0,0,1|2,0,0]=4 2028 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,1,0,0,0,1|1,0,0]=3 2029 B14R1.4194 O=C(O)C(CO)NCc1ccccn1 269956a_100000187304_100000721315 [0,1,0,0,0,1|2,0,0]=4 2030 B14R1.4194 O=C(O)C(CO)NCc1cccnc1 269956a_100000187304_100000733263 [0,1,0,0,0,1|2,0,0]=4 2031 B14R1.4194 O=C(O)C(CO)NCc1ccncc1 269956a_100000187304_100015193705 [0,1,0,0,0,1|2,0,0]=4 2032 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,1,0,0,0,1|0,0,0]=2 2033 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Br 2230a_100000174977_100009814033 [0,1,0,0,0,1|2,0,0]=4 2034 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)C 2230a_100000185548_100009814033 [0,1,0,0,0,1|2,0,0]=4 2035 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Cl 2230a_100000174878_100009814033 [0,1,0,0,0,1|2,0,0]=4 2036 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)F 2230a_100000174948_100009814033 [0,1,0,0,0,1|2,0,0]=4 2037 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100009814033 [0,1,0,0,0,1|2,0,0]=4 2038 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100009814033 [0,1,0,0,0,1|2,0,0]=4 2039 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 34a_100000212229_100000698116 [0,1,0,0,0,1|2,0,0]=4 2040 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 7a_100000687537_100000179758 [0,1,0,0,0,1|2,0,0]=4 2041 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 34a_100000212229_100000211840 [0,1,0,0,0,1|2,0,0]=4 2042 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 7a_100011217746_100000179758 [0,1,0,0,0,1|2,0,0]=4 2043 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 34a_100000212229_100000187163 [0,1,0,0,0,1|2,0,0]=4 2044 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 7a_100000241301_100000179758 [0,1,0,0,0,1|2,0,0]=4 2045 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 34a_100000212229_100000187166 [0,1,0,0,0,1|2,0,0]=4 2046 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 7a_100000210976_100000179758 [0,1,0,0,0,1|2,0,0]=4 2047 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 34a_100000212229_100011218688 [0,1,0,0,0,1|2,0,0]=4 2048 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000179758 [0,1,0,0,0,1|2,0,0]=4 2049 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)O 34a_100000212229_100011660834 [0,1,0,0,0,1|2,0,0]=4 2050 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100009814033 [0,1,0,0,0,1|2,0,0]=4 2051 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100009814033_100000211773 [0,1,0,0,0,1|2,0,0]=4 2052 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100009814033 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100009814033_100000211840 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100009814033 [0,1,0,0,0,1|2,0,0]=4 2055 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100009814033_100000187163 [0,1,0,0,0,1|2,0,0]=4 2056 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100009814033 [0,1,0,0,0,1|2,0,0]=4 2057 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100009814033_100000230114 [0,1,0,0,0,1|2,0,0]=4 2058 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [0,1,0,0,0,1|2,0,0]=4 2059 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [0,1,0,0,0,1|2,0,0]=4 2060 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100009814033_100011660834 [0,1,0,0,0,1|2,0,0]=4 2061 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100009814033 [0,1,0,0,0,1|2,0,0]=4 2062 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 2230a_100000174977_100000702099 [0,1,0,0,0,1|2,0,0]=4 2063 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 34a_100000174977_100000702099 [0,1,0,0,0,1|2,0,0]=4 2064 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 2230a_100000174878_100000702099 [0,1,0,0,0,1|2,0,0]=4 2065 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 34a_100000174878_100000702099 [0,1,0,0,0,1|2,0,0]=4 2066 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 2230a_100000174948_100000702099 [0,1,0,0,0,1|2,0,0]=4 2067 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 34a_100000174948_100000702099 [0,1,0,0,0,1|2,0,0]=4 2068 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 2230a_100000106179_100000702099 [0,1,0,0,0,1|2,0,0]=4 2069 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 34a_100000106179_100000702099 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000702099 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000702099 [0,1,0,0,0,1|2,0,0]=4 2072 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 34a_100000687537_100000702099 [0,1,0,0,0,1|2,0,0]=4 2073 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 7a_100000687537_100000702099 [0,1,0,0,0,1|2,0,0]=4 2074 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 34a_100000241301_100000702099 [0,1,0,0,0,1|2,0,0]=4 2075 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 7a_100000241301_100000702099 [0,1,0,0,0,1|2,0,0]=4 2076 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 34a_100000210976_100000702099 [0,1,0,0,0,1|2,0,0]=4 2077 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 7a_100000210976_100000702099 [0,1,0,0,0,1|2,0,0]=4 2078 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 34a_100011215336_100000702099 [0,1,0,0,0,1|2,0,0]=4 2079 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 7a_100011215336_100000702099 [0,1,0,0,0,1|2,0,0]=4 2080 B14R1.5956 CC(OCc1cccc(c1)N)C(=O)N 34a_100000211919_100000702099 [0,1,0,0,0,1|2,0,0]=4 2081 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000211773_100000702099 [0,1,0,0,0,1|2,0,0]=4 2082 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000702099_100000211773 [0,1,0,0,0,1|2,0,0]=4 2083 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000187163_100000702099 [0,1,0,0,0,1|2,0,0]=4 2084 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000187163 [0,1,0,0,0,1|2,0,0]=4 2085 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000230114_100000702099 [0,1,0,0,0,1|2,0,0]=4 2086 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000702099_100000230114 [0,1,0,0,0,1|2,0,0]=4 2087 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [0,1,0,0,0,1|2,0,0]=4 2088 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [0,1,0,0,0,1|2,0,0]=4 2089 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100000702099_100011660834 [0,1,0,0,0,1|2,0,0]=4 2090 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702099 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000119354_100000698116 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 270004a_100000119354_100000210085 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 34a_100000119354_100000698116 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000119354_100000181238 [0,1,0,0,0,1|2,0,0]=4 2095 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 270004a_100000119354_100000210801 [0,1,0,0,0,1|2,0,0]=4 2096 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 34a_100000119354_100000187163 [0,1,0,0,0,1|2,0,0]=4 2097 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 2230a_100000119354_100000230114 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 270004a_100000119354_100000210812 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 34a_100000119354_100000187166 [0,1,0,0,0,1|2,0,0]=4 2100 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 2230a_100000119354_100011218688 [0,1,0,0,0,1|2,0,0]=4 2101 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 270004a_100000119354_100000014684 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 34a_100000119354_100011218688 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 2230a_100000119354_100011660834 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 270004a_100000119354_100000188321 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 34a_100000119354_100011660834 [0,1,0,0,0,1|2,0,0]=4 2106 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 34a_100000731257_100000698116 [0,1,0,0,0,1|2,0,0]=4 2107 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 7a_100000731257_100000211773 [0,1,0,0,0,1|2,0,0]=4 2108 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 34a_100000731257_100000187163 [0,1,0,0,0,1|2,0,0]=4 2109 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 7a_100000731257_100000187163 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 34a_100000731257_100000187166 [0,1,0,0,0,1|2,0,0]=4 2111 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 7a_100000731257_100000230114 [0,1,0,0,0,1|2,0,0]=4 2112 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 34a_100000731257_100011218688 [0,1,0,0,0,1|2,0,0]=4 2113 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 7a_100000731257_100011218688 [0,1,0,0,0,1|2,0,0]=4 2114 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 34a_100000731257_100011660834 [0,1,0,0,0,1|2,0,0]=4 2115 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 7a_100000731257_100000084143 [0,1,0,0,0,1|2,0,0]=4 2116 B14R1.5956 C[C@H](NCc1cc(ccn1)Br)C(=O)O 269956a_100000743915_100010173614 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.5956 C[C@H](NCc1cc(ccn1)Cl)C(=O)O 269956a_100000743915_100016988179 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,1,0,0,0,1|1,0,0]=3 2119 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,1,0,0,0,1|1,0,0]=3 2120 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,1,0,0,0,1|1,0,0]=3 2121 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,1,0,0,0,1|1,0,0]=3 2122 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,1,0,0,0,1|1,0,0]=3 2123 B14R1.5956 C[C@H](NCc1cccc(n1)Br)C(=O)O 269956a_100000743915_100009889011 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.5956 C[C@H](NCc1cccc(n1)Cl)C(=O)O 269956a_100000743915_100000086093 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.5956 C[C@H](NCc1cccc(n1)F)C(=O)O 269956a_100000743915_100009819644 [0,1,0,0,0,1|2,0,0]=4 2126 B14R1.5956 C[C@H](NCc1ccnc(c1)Br)C(=O)O 269956a_100000743915_100010254460 [0,1,0,0,0,1|2,0,0]=4 2127 B14R1.5956 C[C@H](NCc1ccnc(c1)Cl)C(=O)O 269956a_100000743915_100000764220 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.5956 C[C@H](NCc1cncc(c1)Br)C(=O)O 269956a_100000743915_100000738771 [0,1,0,0,0,1|2,0,0]=4 2129 B14R1.5956 C[C@H](NCc1cncc(c1)Cl)C(=O)O 269956a_100000743915_100016992070 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.5956 C[C@H](NCc1cncc(c1)F)C(=O)O 269956a_100000743915_100000725299 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.5956 C[C@H](OCc1cccc(c1)Br)C(=O)[O-] 7a_217856618621_100000211773 [0,1,0,0,0,1|1,0,1]=4 2132 B14R1.5956 C[C@H](OCc1cccc(c1)Cl)C(=O)[O-] 7a_217856618621_100000187163 [0,1,0,0,0,1|1,0,1]=4 2133 B14R1.5956 C[C@H](OCc1cccc(c1)F)C(=O)[O-] 7a_217856618621_100000230114 [0,1,0,0,0,1|1,0,1]=4 2134 B14R1.5956 C[C@H](OCc1cccc(c1)I)C(=O)[O-] 7a_217856618621_100011218688 [0,1,0,0,0,1|1,0,1]=4 2135 B14R1.5956 C[C@H](OCc1cccc(c1)O)C(=O)[O-] 7a_217856618621_100000084143 [0,1,0,0,0,1|1,0,1]=4 2136 B14R1.5956 Cc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_200020672517 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 2230a_100000185548_100000702099 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 34a_100000185548_100000702099 [0,1,0,0,0,1|2,0,0]=4 2139 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 2230a_100000185548_100009813875 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 34a_100000185548_100009813875 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000185548_100020610796 [0,1,0,0,0,1|1,0,1]=4 2142 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,1,0,0,0,1|1,0,0]=3 2143 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211840 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211157 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000211840 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 34a_100011217746_100000702099 [0,1,0,0,0,1|2,0,0]=4 2147 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 7a_100011217746_100000702099 [0,1,0,0,0,1|2,0,0]=4 2148 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 34a_100011217746_100009813875 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 7a_100011217746_100009813875 [0,1,0,0,0,1|2,0,0]=4 2150 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)[O-] 34a_100011217746_100020610796 [0,1,0,0,0,1|1,0,1]=4 2151 B14R1.5956 Cc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211840 [0,1,0,0,0,1|1,0,1]=4 2152 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000211840 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211840 [0,1,0,0,0,1|2,0,0]=4 2154 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000211840_100000702099 [0,1,0,0,0,1|2,0,0]=4 2155 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211840 [0,1,0,0,0,1|2,0,0]=4 2156 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100000211840_100009813875 [0,1,0,0,0,1|2,0,0]=4 2157 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211840 [0,1,0,0,0,1|2,0,0]=4 2158 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000211840_100020610796 [0,1,0,0,0,1|1,0,1]=4 2159 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211840 [0,1,0,0,0,1|1,0,1]=4 2160 B14R1.5956 Cc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000757606 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000718516 [0,1,0,0,0,1|2,0,0]=4 2162 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016988603 [0,1,0,0,0,1|2,0,0]=4 2163 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 2230a_100000174977_100009813875 [0,1,0,0,0,1|2,0,0]=4 2164 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 34a_100000174977_100009813875 [0,1,0,0,0,1|2,0,0]=4 2165 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 2230a_100000174878_100009813875 [0,1,0,0,0,1|2,0,0]=4 2166 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 34a_100000174878_100009813875 [0,1,0,0,0,1|2,0,0]=4 2167 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 2230a_100000174948_100009813875 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 34a_100000174948_100009813875 [0,1,0,0,0,1|2,0,0]=4 2169 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 2230a_100000106179_100009813875 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 34a_100000106179_100009813875 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 2230a_100000743036_100009813875 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 34a_100000743036_100009813875 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 34a_100000687537_100009813875 [0,1,0,0,0,1|2,0,0]=4 2174 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 7a_100000687537_100009813875 [0,1,0,0,0,1|2,0,0]=4 2175 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 34a_100000241301_100009813875 [0,1,0,0,0,1|2,0,0]=4 2176 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 7a_100000241301_100009813875 [0,1,0,0,0,1|2,0,0]=4 2177 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 34a_100000210976_100009813875 [0,1,0,0,0,1|2,0,0]=4 2178 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 7a_100000210976_100009813875 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 34a_100011215336_100009813875 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 7a_100011215336_100009813875 [0,1,0,0,0,1|2,0,0]=4 2181 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)N 34a_100000211919_100009813875 [0,1,0,0,0,1|2,0,0]=4 2182 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100000211773_100009813875 [0,1,0,0,0,1|2,0,0]=4 2183 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100009813875_100000211773 [0,1,0,0,0,1|2,0,0]=4 2184 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100000187163_100009813875 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100009813875_100000187163 [0,1,0,0,0,1|2,0,0]=4 2186 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100000230114_100009813875 [0,1,0,0,0,1|2,0,0]=4 2187 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100009813875_100000230114 [0,1,0,0,0,1|2,0,0]=4 2188 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [0,1,0,0,0,1|2,0,0]=4 2189 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [0,1,0,0,0,1|2,0,0]=4 2190 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100009813875_100011660834 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813875 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.5956 Nc1cccc(c1)COC(F)C(=O)[O-] 34a_100000211919_100020610796 [0,1,0,0,0,1|1,0,1]=4 2193 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Br 34a_100000174977_100020610796 [0,1,0,0,0,1|1,0,1]=4 2194 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Cl 34a_100000174878_100020610796 [0,1,0,0,0,1|1,0,1]=4 2195 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)F 34a_100000174948_100020610796 [0,1,0,0,0,1|1,0,1]=4 2196 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)I 34a_100000106179_100020610796 [0,1,0,0,0,1|1,0,1]=4 2197 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)O 34a_100000743036_100020610796 [0,1,0,0,0,1|1,0,1]=4 2198 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Br 34a_100000687537_100020610796 [0,1,0,0,0,1|1,0,1]=4 2199 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Cl 34a_100000241301_100020610796 [0,1,0,0,0,1|1,0,1]=4 2200 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)F 34a_100000210976_100020610796 [0,1,0,0,0,1|1,0,1]=4 2201 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)I 34a_100011215336_100020610796 [0,1,0,0,0,1|1,0,1]=4 2202 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100000211773_100020610796 [0,1,0,0,0,1|1,0,1]=4 2203 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100020610796_100000211773 [0,1,0,0,0,1|1,0,1]=4 2204 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100000187163_100020610796 [0,1,0,0,0,1|1,0,1]=4 2205 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100020610796_100000187163 [0,1,0,0,0,1|1,0,1]=4 2206 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100000230114_100020610796 [0,1,0,0,0,1|1,0,1]=4 2207 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100020610796_100000230114 [0,1,0,0,0,1|1,0,1]=4 2208 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [0,1,0,0,0,1|1,0,1]=4 2209 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [0,1,0,0,0,1|1,0,1]=4 2210 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100011660834_100020610796 [0,1,0,0,0,1|1,0,1]=4 2211 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100020610796_100011660834 [0,1,0,0,0,1|1,0,1]=4 2212 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 34a_100000747739_100015291786 [0,1,0,0,0,1|2,0,0]=4 2213 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000210790_100000075568 [0,1,0,0,0,1|2,0,0]=4 2214 B14R1.6395 CC(=O)C(C)(C)OCc1ccccc1 7a_100000747739_100000211182 [0,1,0,0,0,1|2,0,0]=4 2215 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_200000210301 [0,1,0,0,0,1|2,0,0]=4 2216 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000075568_100015291786 [0,1,0,0,0,1|2,0,0]=4 2217 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000211182_100000075568 [0,1,0,0,0,1|2,0,0]=4 2218 B14R1.6395 CC(C)(CNc1ccccc1)C(=O)N 34a_100000106764_200009895572 [0,1,0,0,0,1|2,0,0]=4 2219 B14R1.6395 CC(C)(COc1ccccc1)C(=O)N 34a_100000210340_200009895572 [0,1,0,0,0,1|2,0,0]=4 2220 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,1,0,0,0,1|2,0,0]=4 2221 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,1,0,0,0,1|2,0,0]=4 2222 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100000743658_100015291786 [0,1,0,0,0,1|2,0,0]=4 2223 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702505 [0,1,0,0,0,1|2,0,0]=4 2224 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100000743658_100015291786 [0,1,0,0,0,1|2,0,0]=4 2225 B14R1.6395 CC(C)(NCc1ccccc1)C(=O)N 34a_100015324214_100000702505 [0,1,0,0,0,1|2,0,0]=4 2226 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100000210790_100000702505 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 34a_100011626353_100015291786 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100000210790_100000702505 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.6395 CC(C)(OCc1ccccc1)C(=O)N 7a_100011626353_100000211182 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000211182_100000702505 [0,1,0,0,0,1|2,0,0]=4 2231 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000702505_100015291786 [0,1,0,0,0,1|2,0,0]=4 2232 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)[13CH3] 1458a_100011459008_200025704644 [0,1,0,0,0,1|2,0,0]=4 2233 B14R1.6395 NC(=O)C(F)(F)OCc1ccccc1 7a_100000210790_100009811971 [0,1,0,0,0,1|2,0,0]=4 2234 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100000211182_100009811971 [0,1,0,0,0,1|2,0,0]=4 2235 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100009811971_100015291786 [0,1,0,0,0,1|2,0,0]=4 2236 B14R1.6395 O=C([O-])C(F)(F)NCc1ccccc1 34a_100015324214_100020612412 [0,1,0,0,0,1|1,0,1]=4 2237 B14R1.6395 O=C([O-])C(F)(F)OCc1ccccc1 34a_100000210790_100020612412 [0,1,0,0,0,1|1,0,1]=4 2238 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000211182_100000745680 [0,1,0,0,0,1|1,0,1]=4 2239 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000745680_100015291786 [0,1,0,0,0,1|1,0,1]=4 2240 B14R1.3 CC(=O)C(C)Cc1ccc(cc1)C#N 1458a_200000109623_200000210301 [0,2,0,0,0,0|2,0,0]=4 2241 B14R1.3 CC(Cc1ccc(cc1)C#N)C(=O)[13CH3] 1458a_200000109623_200025704644 [0,2,0,0,0,0|2,0,0]=4 2242 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [0,2,0,0,0,0|1,0,0]=3 2243 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [0,2,0,0,0,0|1,0,0]=3 2244 B14R1.132 CC(C(=O)O)N(C)c1ccc(cc1)F 269956a_100011202447_200000210301 [0,2,0,0,0,0|2,0,0]=4 2245 B14R1.132 CC(C(=O)O)N([13CH3])c1ccc(cc1)F 269956a_100011202447_200025704644 [0,2,0,0,0,0|2,0,0]=4 2246 B14R1.134 CC(Cc1ccc(cc1)Br)C(=O)CF 1458a_100000695199_100015361967 [0,2,0,0,0,0|2,0,0]=4 2247 B14R1.134 CC(Cc1ccc(cc1)F)C(=O)CF 1458a_100000746122_100015361967 [0,2,0,0,0,0|2,0,0]=4 2248 B14R1.134 CCC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_100000210202 [0,2,0,0,0,0|2,0,0]=4 2249 B14R1.134 CCC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_100000210202 [0,2,0,0,0,0|2,0,0]=4 2250 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100000210202 [0,2,0,0,0,0|2,0,0]=4 2251 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_100000210202 [0,2,0,0,0,0|2,0,0]=4 2252 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210202 [0,2,0,0,0,0|2,0,0]=4 2253 B14R1.134 CCC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100000210202 [0,2,0,0,0,0|2,0,0]=4 2254 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 240690a_100000180866_100000210174 [0,2,0,0,0,0|2,0,0]=4 2255 B14R1.134 CN(Cc1ccc(cc1)Br)C(=O)CO 527a_100000180866_100000210174 [0,2,0,0,0,0|2,0,0]=4 2256 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 240690a_100000184517_100000210174 [0,2,0,0,0,0|2,0,0]=4 2257 B14R1.134 CN(Cc1ccc(cc1)Cl)C(=O)CO 527a_100000184517_100000210174 [0,2,0,0,0,0|2,0,0]=4 2258 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 240690a_100000184576_100000210174 [0,2,0,0,0,0|2,0,0]=4 2259 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO 527a_100000184576_100000210174 [0,2,0,0,0,0|2,0,0]=4 2260 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [0,2,0,0,0,0|2,0,0]=4 2261 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [0,2,0,0,0,0|2,0,0]=4 2262 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 11a_106832991635_100000695199 [0,2,0,0,0,0|2,0,0]=4 2263 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 1626a_100102657272_100000695199 [0,2,0,0,0,0|2,0,0]=4 2264 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100102657272_100000695199 [0,2,0,0,0,0|2,0,0]=4 2265 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 527a_100102657272_100000695199 [0,2,0,0,0,0|2,0,0]=4 2266 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 11a_106832991635_100000746122 [0,2,0,0,0,0|2,0,0]=4 2267 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 1626a_100102657272_100000746122 [0,2,0,0,0,0|2,0,0]=4 2268 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 240690a_100102657272_100000746122 [0,2,0,0,0,0|2,0,0]=4 2269 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 527a_100102657272_100000746122 [0,2,0,0,0,0|2,0,0]=4 2270 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100102657272_100012362158 [0,2,0,0,0,0|2,0,0]=4 2271 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100102657272_100012179405 [0,2,0,0,0,0|2,0,0]=4 2272 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,2,0,0,0,0|2,0,0]=4 2273 B14R1.134 CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100102657272_200015644258 [0,2,0,0,0,0|2,0,0]=4 2274 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100000211248 [0,2,0,0,0,0|2,0,0]=4 2275 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100000211248 [0,2,0,0,0,0|2,0,0]=4 2276 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100000211248 [0,2,0,0,0,0|2,0,0]=4 2277 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000211248 [0,2,0,0,0,0|2,0,0]=4 2278 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100000211248 [0,2,0,0,0,0|2,0,0]=4 2279 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100000211248 [0,2,0,0,0,0|2,0,0]=4 2280 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000211248 [0,2,0,0,0,0|2,0,0]=4 2281 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [0,2,0,0,0,0|2,0,0]=4 2282 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100000211248 [0,2,0,0,0,0|2,0,0]=4 2283 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000211248 [0,2,0,0,0,0|2,0,0]=4 2284 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100000211248 [0,2,0,0,0,0|2,0,0]=4 2285 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000211248 [0,2,0,0,0,0|2,0,0]=4 2286 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100000211248 [0,2,0,0,0,0|2,0,0]=4 2287 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000211248 [0,2,0,0,0,0|2,0,0]=4 2288 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100000211248 [0,2,0,0,0,0|2,0,0]=4 2289 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000211248 [0,2,0,0,0,0|2,0,0]=4 2290 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000211248 [0,2,0,0,0,0|2,0,0]=4 2291 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100000211248 [0,2,0,0,0,0|2,0,0]=4 2292 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000211248_100000752885 [0,2,0,0,0,0|2,0,0]=4 2293 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100000211248 [0,2,0,0,0,0|2,0,0]=4 2294 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100000211248 [0,2,0,0,0,0|2,0,0]=4 2295 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000211248_100000186775 [0,2,0,0,0,0|2,0,0]=4 2296 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000211248_100000755918 [0,2,0,0,0,0|2,0,0]=4 2297 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100000211248 [0,2,0,0,0,0|2,0,0]=4 2298 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100000211248 [0,2,0,0,0,0|2,0,0]=4 2299 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211248_100000211213 [0,2,0,0,0,0|2,0,0]=4 2300 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100000211248 [0,2,0,0,0,0|2,0,0]=4 2301 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000211248_100000185761 [0,2,0,0,0,0|2,0,0]=4 2302 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [0,2,0,0,0,0|2,0,0]=4 2303 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,2,0,0,0,0|0,0,0]=2 2304 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,2,0,0,0,0|0,0,0]=2 2305 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 240690a_100000744650_100000210174 [0,2,0,0,0,0|2,0,0]=4 2306 B14R1.134 Cc1ccc(cc1)CN(C)C(=O)CO 527a_100000744650_100000210174 [0,2,0,0,0,0|2,0,0]=4 2307 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_100015361967 [0,2,0,0,0,0|2,0,0]=4 2308 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)F 1458a_100012179405_100015361967 [0,2,0,0,0,0|2,0,0]=4 2309 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)O 1458a_100015278814_100015361967 [0,2,0,0,0,0|2,0,0]=4 2310 B14R1.134 O=C(CF)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_100015361967 [0,2,0,0,0,0|2,0,0]=4 2311 B14R1.536 CC(=O)C(C#N)Cc1ccc(cc1)C 1458a_100000070787_100000697087 [0,2,0,0,0,0|1,0,1]=4 2312 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200009990494_200025704644 [0,2,0,0,0,0|2,0,0]=4 2313 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200025704644_200009990494 [0,2,0,0,0,0|2,0,0]=4 2314 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 34a_100102657272_200009990494 [0,2,0,0,0,0|1,0,0]=3 2315 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 7a_106832991635_200009990494 [0,2,0,0,0,0|1,0,0]=3 2316 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200000210301 [0,2,0,0,0,0|1,0,0]=3 2317 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200000210301 [0,2,0,0,0,0|1,0,0]=3 2318 B14R1.536 COC(Cc1ccc(cc1)Cl)C(=O)C 34a_100138415774_200009990494 [0,2,0,0,0,0|2,0,0]=4 2319 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200000210301_200009990494 [0,2,0,0,0,0|2,0,0]=4 2320 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200009990494_200000210301 [0,2,0,0,0,0|2,0,0]=4 2321 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200025704644 [0,2,0,0,0,0|1,0,0]=3 2322 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200025704644 [0,2,0,0,0,0|1,0,0]=3 2323 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,2,0,0,0,0|2,0,0]=4 2324 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,2,0,0,0,0|2,0,0]=4 2325 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000184674 [0,2,0,0,0,0|2,0,0]=4 2326 B14R1.60 C#CCC(=O)C(C)Cc1ccccc1 1458a_100011220946_200011218536 [0,2,0,0,0,0|2,0,0]=4 2327 B14R1.60 C#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000184674 [0,2,0,0,0,0|2,0,0]=4 2328 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000210193_200011218536 [0,2,0,0,0,0|2,0,0]=4 2329 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210623 [0,2,0,0,0,0|2,0,0]=4 2330 B14R1.60 C=CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210623 [0,2,0,0,0,0|2,0,0]=4 2331 B14R1.60 CC#CC(=O)C(C)Cc1ccccc1 1458a_100000763181_200011218536 [0,2,0,0,0,0|2,0,0]=4 2332 B14R1.60 CC(Cc1ccccc1)C(=O)C=CBr 1458a_100016273825_200011218536 [0,2,0,0,0,0|2,0,0]=4 2333 B14R1.60 CC(Cc1ccccc1)C(=O)C=CCl 1458a_200016279998_200011218536 [0,2,0,0,0,0|2,0,0]=4 2334 B14R1.60 CC(Cc1ccccc1)C(=O)C=CI 1458a_100016256311_200011218536 [0,2,0,0,0,0|2,0,0]=4 2335 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100000754839_100011214920 [0,2,0,0,0,0|2,0,0]=4 2336 B14R1.60 CC(Cc1ccccc1)C(=O)CC#N 1458a_100051588842_200011218536 [0,2,0,0,0,0|2,0,0]=4 2337 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [0,2,0,0,0,0|2,0,0]=4 2338 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,2,0,0,0,0|1,0,0]=3 2339 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,2,0,0,0,0|1,0,0]=3 2340 B14R1.60 CC(Cc1ccccn1)C(=O)CCO 1458a_100012000792_100000211926 [0,2,0,0,0,0|2,0,0]=4 2341 B14R1.60 CC(Oc1ccccc1)C(=O)CCO 1458a_100000188414_100000211926 [0,2,0,0,0,0|2,0,0]=4 2342 B14R1.60 CC(Sc1ccccc1)C(=O)CCO 1458a_100000199063_100000211926 [0,2,0,0,0,0|2,0,0]=4 2343 B14R1.60 CC=CC(=O)C(C)Cc1ccccc1 1458a_100000210699_200011218536 [0,2,0,0,0,0|2,0,0]=4 2344 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,2,0,0,0,0|2,0,0]=4 2345 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,2,0,0,0,0|2,0,0]=4 2346 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [0,2,0,0,0,0|2,0,0]=4 2347 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [0,2,0,0,0,0|2,0,0]=4 2348 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [0,2,0,0,0,0|2,0,0]=4 2349 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [0,2,0,0,0,0|2,0,0]=4 2350 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,2,0,0,0,0|2,0,0]=4 2351 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [0,2,0,0,0,0|2,0,0]=4 2352 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [0,2,0,0,0,0|2,0,0]=4 2353 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [0,2,0,0,0,0|2,0,0]=4 2354 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [0,2,0,0,0,0|2,0,0]=4 2355 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [0,2,0,0,0,0|2,0,0]=4 2356 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [0,2,0,0,0,0|2,0,0]=4 2357 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [0,2,0,0,0,0|2,0,0]=4 2358 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [0,2,0,0,0,0|2,0,0]=4 2359 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [0,2,0,0,0,0|2,0,0]=4 2360 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [0,2,0,0,0,0|2,0,0]=4 2361 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 240690a_100000186898_100011216618 [0,2,0,0,0,0|2,0,0]=4 2362 B14R1.60 CNNC(=O)C(C)Cc1ccccc1 22a_100016993582_100000754839 [0,2,0,0,0,0|2,0,0]=4 2363 B14R1.60 CNNC(=O)[C@H](O)Cc1ccccc1 22a_100016993582_100009816399 [0,2,0,0,0,0|2,0,0]=4 2364 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,2,0,0,0,0|1,0,0]=3 2365 B14R1.60 COCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 2366 B14R1.60 COCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 2367 B14R1.60 COCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 2368 B14R1.60 COCC(=O)N(C)Cc1ccccc1 34a_100138415774_100000182870 [0,2,0,0,0,0|2,0,0]=4 2369 B14R1.60 COCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210968 [0,2,0,0,0,0|2,0,0]=4 2370 B14R1.60 CSCC(=O)C(C)Cc1ccccc1 1458a_100000184570_200011218536 [0,2,0,0,0,0|1,1,0]=4 2371 B14R1.60 N#CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011214920 [0,2,0,0,0,0|2,0,0]=4 2372 B14R1.60 O=C(CCF)[C@H](O)Cc1ccccc1 1458a_100009816399_100011217306 [0,2,0,0,0,0|2,0,0]=4 2373 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,2,0,0,0,0|1,0,0]=3 2374 B14R1.85 CC(C(=O)CO)C(=O)c1ccccc1 1458a_100000210174_100000239700 [0,2,0,0,0,0|1,0,1]=4 2375 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 240690a_100000195388_100000210174 [0,2,0,0,0,0|2,0,0]=4 2376 B14R1.85 CC(c1ccccc1)N(C)C(=O)CO 527a_100000195388_100000210174 [0,2,0,0,0,0|2,0,0]=4 2377 B14R1.85 COC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000211248 [0,2,0,0,0,0|1,0,1]=4 2378 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 2379 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 2380 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000211248 [0,2,0,0,0,0|2,0,0]=4 2381 B14R1.135 CCC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000210202 [0,2,0,0,0,0|2,0,0]=4 2382 B14R1.135 CCC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000210202 [0,2,0,0,0,0|2,0,0]=4 2383 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 240690a_100000187585_100000210174 [0,2,0,0,0,0|2,0,0]=4 2384 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 527a_100000187585_100000210174 [0,2,0,0,0,0|2,0,0]=4 2385 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 240690a_100020629429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2386 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 527a_100020629429_100000210174 [0,2,0,0,0,0|2,0,0]=4 2387 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 240690a_100000184398_100000210174 [0,2,0,0,0,0|2,0,0]=4 2388 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 527a_100000184398_100000210174 [0,2,0,0,0,0|2,0,0]=4 2389 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 240690a_100000207540_100000210174 [0,2,0,0,0,0|2,0,0]=4 2390 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 527a_100000207540_100000210174 [0,2,0,0,0,0|2,0,0]=4 2391 B14R1.135 CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100102657272_100012362086 [0,2,0,0,0,0|2,0,0]=4 2392 B14R1.135 CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100102657272_200016142683 [0,2,0,0,0,0|2,0,0]=4 2393 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100000211248 [0,2,0,0,0,0|2,0,0]=4 2394 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100000211248 [0,2,0,0,0,0|2,0,0]=4 2395 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100000211248 [0,2,0,0,0,0|2,0,0]=4 2396 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100000211248 [0,2,0,0,0,0|2,0,0]=4 2397 B14R1.135 COC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100000211248 [0,2,0,0,0,0|2,0,0]=4 2398 B14R1.135 COC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100000211248 [0,2,0,0,0,0|2,0,0]=4 2399 B14R1.135 COC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000211248 [0,2,0,0,0,0|2,0,0]=4 2400 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100000211248 [0,2,0,0,0,0|2,0,0]=4 2401 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000211248 [0,2,0,0,0,0|2,0,0]=4 2402 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100000211248 [0,2,0,0,0,0|2,0,0]=4 2403 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000211248 [0,2,0,0,0,0|2,0,0]=4 2404 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100000211248 [0,2,0,0,0,0|2,0,0]=4 2405 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000211248 [0,2,0,0,0,0|2,0,0]=4 2406 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100000211248 [0,2,0,0,0,0|2,0,0]=4 2407 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000211248 [0,2,0,0,0,0|2,0,0]=4 2408 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100000211248 [0,2,0,0,0,0|2,0,0]=4 2409 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000211248 [0,2,0,0,0,0|2,0,0]=4 2410 B14R1.135 COC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100000211248 [0,2,0,0,0,0|2,0,0]=4 2411 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000211248_100000691529 [0,2,0,0,0,0|2,0,0]=4 2412 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100000211248 [0,2,0,0,0,0|2,0,0]=4 2413 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100000211248_100011215228 [0,2,0,0,0,0|2,0,0]=4 2414 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100000211248 [0,2,0,0,0,0|2,0,0]=4 2415 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000211248_100000699651 [0,2,0,0,0,0|2,0,0]=4 2416 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100000211248 [0,2,0,0,0,0|2,0,0]=4 2417 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000211248_100000685547 [0,2,0,0,0,0|2,0,0]=4 2418 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100000211248 [0,2,0,0,0,0|2,0,0]=4 2419 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100000211248 [0,2,0,0,0,0|2,0,0]=4 2420 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000211248_100000210019 [0,2,0,0,0,0|2,0,0]=4 2421 B14R1.135 COC(=O)C(C)Sc1cccc(c1)O 62a_100000211248_100000211634 [0,2,0,0,0,0|2,0,0]=4 2422 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_100000211248_114929384022 [0,2,0,0,0,0|2,0,0]=4 2423 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100000211248 [0,2,0,0,0,0|2,0,0]=4 2424 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [0,2,0,0,0,0|0,0,0]=2 2425 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 240690a_102495364743_100000210174 [0,2,0,0,0,0|2,0,0]=4 2426 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 527a_102495364743_100000210174 [0,2,0,0,0,0|2,0,0]=4 2427 B14R1.135 O=C(CF)C(O)Cc1cccc(c1)Br 1458a_100012362086_100015361967 [0,2,0,0,0,0|2,0,0]=4 2428 B14R1.135 O=C(CF)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100015361967 [0,2,0,0,0,0|2,0,0]=4 2429 B14R1.532 CO[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200000210301 [0,2,0,0,0,0|1,0,1]=4 2430 B14R1.532 [13CH3]O[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200025704644 [0,2,0,0,0,0|1,0,1]=4 2431 B14R1.1007 CCC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_100000210202 [0,2,0,0,0,0|2,0,0]=4 2432 B14R1.1007 CCC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_100000210202 [0,2,0,0,0,0|2,0,0]=4 2433 B14R1.1007 CN(Cc1ccccc1Br)C(=O)CO 240690a_100000184654_100000210174 [0,2,0,0,0,0|2,0,0]=4 2434 B14R1.1007 CN(Cc1ccccc1Br)C(=O)CO 527a_100000184654_100000210174 [0,2,0,0,0,0|2,0,0]=4 2435 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO 240690a_100000184507_100000210174 [0,2,0,0,0,0|2,0,0]=4 2436 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO 527a_100000184507_100000210174 [0,2,0,0,0,0|2,0,0]=4 2437 B14R1.1007 CN(Cc1ccccc1F)C(=O)CO 240690a_100000742528_100000210174 [0,2,0,0,0,0|2,0,0]=4 2438 B14R1.1007 CN(Cc1ccccc1F)C(=O)CO 527a_100000742528_100000210174 [0,2,0,0,0,0|2,0,0]=4 2439 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 240690a_100015189988_100000210174 [0,2,0,0,0,0|2,0,0]=4 2440 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 527a_100015189988_100000210174 [0,2,0,0,0,0|2,0,0]=4 2441 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Br 240690a_100102657272_100012382637 [0,2,0,0,0,0|2,0,0]=4 2442 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 240690a_100102657272_100000703902 [0,2,0,0,0,0|2,0,0]=4 2443 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 527a_100102657272_100000703902 [0,2,0,0,0,0|2,0,0]=4 2444 B14R1.1007 COC(=O)C(C)Nc1ccccc1Br 34a_100000210017_100000211248 [0,2,0,0,0,0|2,0,0]=4 2445 B14R1.1007 COC(=O)C(C)Nc1ccccc1C 34a_100015192222_100000211248 [0,2,0,0,0,0|2,0,0]=4 2446 B14R1.1007 COC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100000211248 [0,2,0,0,0,0|2,0,0]=4 2447 B14R1.1007 COC(=O)C(C)Nc1ccccc1F 34a_100000210422_100000211248 [0,2,0,0,0,0|2,0,0]=4 2448 B14R1.1007 COC(=O)C(C)Nc1ccccc1I 34a_100000210053_100000211248 [0,2,0,0,0,0|2,0,0]=4 2449 B14R1.1007 COC(=O)C(C)Nc1ccccc1O 34a_100000185747_100000211248 [0,2,0,0,0,0|2,0,0]=4 2450 B14R1.1007 COC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100000211248 [0,2,0,0,0,0|2,0,0]=4 2451 B14R1.1007 COC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000211248 [0,2,0,0,0,0|2,0,0]=4 2452 B14R1.1007 COC(=O)C(C)Oc1ccccc1C 34a_100000210338_100000211248 [0,2,0,0,0,0|2,0,0]=4 2453 B14R1.1007 COC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000211248 [0,2,0,0,0,0|2,0,0]=4 2454 B14R1.1007 COC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100000211248 [0,2,0,0,0,0|2,0,0]=4 2455 B14R1.1007 COC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000211248 [0,2,0,0,0,0|2,0,0]=4 2456 B14R1.1007 COC(=O)C(C)Oc1ccccc1F 34a_100000210171_100000211248 [0,2,0,0,0,0|2,0,0]=4 2457 B14R1.1007 COC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000211248 [0,2,0,0,0,0|2,0,0]=4 2458 B14R1.1007 COC(=O)C(C)Oc1ccccc1I 34a_100000739446_100000211248 [0,2,0,0,0,0|2,0,0]=4 2459 B14R1.1007 COC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000211248 [0,2,0,0,0,0|2,0,0]=4 2460 B14R1.1007 COC(=O)C(C)Oc1ccccc1N 34a_100000185747_100000211248 [0,2,0,0,0,0|2,0,0]=4 2461 B14R1.1007 COC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000211248 [0,2,0,0,0,0|2,0,0]=4 2462 B14R1.1007 COC(=O)C(C)Sc1ccccc1Br 62a_100000211248_100000695589 [0,2,0,0,0,0|2,0,0]=4 2463 B14R1.1007 COC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100000211248 [0,2,0,0,0,0|2,0,0]=4 2464 B14R1.1007 COC(=O)C(C)Sc1ccccc1C 62a_100000210755_100000211248 [0,2,0,0,0,0|2,0,0]=4 2465 B14R1.1007 COC(=O)C(C)Sc1ccccc1C 62a_100000211248_100000210755 [0,2,0,0,0,0|2,0,0]=4 2466 B14R1.1007 COC(=O)C(C)Sc1ccccc1Cl 62a_100000211248_100000764095 [0,2,0,0,0,0|2,0,0]=4 2467 B14R1.1007 COC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100000211248 [0,2,0,0,0,0|2,0,0]=4 2468 B14R1.1007 COC(=O)C(C)Sc1ccccc1F 62a_100000211248_100011215700 [0,2,0,0,0,0|2,0,0]=4 2469 B14R1.1007 COC(=O)C(C)Sc1ccccc1F 62a_100011215700_100000211248 [0,2,0,0,0,0|2,0,0]=4 2470 B14R1.1007 COC(=O)C(C)Sc1ccccc1N 62a_100000210017_100000211248 [0,2,0,0,0,0|2,0,0]=4 2471 B14R1.1007 COC(=O)C(C)Sc1ccccc1N 62a_100000211248_100000210017 [0,2,0,0,0,0|2,0,0]=4 2472 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000211248_100000739446 [0,2,0,0,0,0|2,0,0]=4 2473 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000739446_100000211248 [0,2,0,0,0,0|2,0,0]=4 2474 B14R1.1007 Cc1ccccc1CN(C)C(=O)CO 240690a_100000184421_100000210174 [0,2,0,0,0,0|2,0,0]=4 2475 B14R1.1007 Cc1ccccc1CN(C)C(=O)CO 527a_100000184421_100000210174 [0,2,0,0,0,0|2,0,0]=4 2476 B14R1.1007 O=C(CF)C(O)Cc1ccccc1Br 1458a_100012382637_100015361967 [0,2,0,0,0,0|2,0,0]=4 2477 B14R1.1007 O=C(CF)C(O)Cc1ccccc1Cl 1458a_100000703902_100015361967 [0,2,0,0,0,0|2,0,0]=4 2478 B14R1.1031 C#CC(=O)C(C#N)Cc1ccccc1 1458a_100000211873_100000183401 [0,2,0,0,0,0|1,0,1]=4 2479 B14R1.1031 C=CC(=O)C(C#N)Cc1ccccc1 1458a_100000185746_100000183401 [0,2,0,0,0,0|1,0,1]=4 2480 B14R1.1031 CCC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_100000210202 [0,2,0,0,0,0|1,0,1]=4 2481 B14R1.1031 CCC(=O)C(C#N)Cc1ccccc1 1458a_100000210414_100000183401 [0,2,0,0,0,0|1,0,1]=4 2482 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC 34a_100000106764_100000235869 [0,2,0,0,0,0|2,0,0]=4 2483 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 34a_100000210340_100000235869 [0,2,0,0,0,0|2,0,0]=4 2484 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 7a_100000210340_100000742303 [0,2,0,0,0,0|2,0,0]=4 2485 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000235869_100000041952 [0,2,0,0,0,0|2,0,0]=4 2486 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000719477_100000235869 [0,2,0,0,0,0|2,0,0]=4 2487 B14R1.1031 CCN(Cc1ccccc1)C(=O)CO 240690a_100000186914_100000210174 [0,2,0,0,0,0|2,0,0]=4 2488 B14R1.1031 CCN(Cc1ccccc1)C(=O)CO 527a_100000186914_100000210174 [0,2,0,0,0,0|2,0,0]=4 2489 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 11a_106832991635_100000075392 [0,2,0,0,0,0|1,0,1]=4 2490 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 1626a_100102657272_100000075392 [0,2,0,0,0,0|1,0,1]=4 2491 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 240690a_100102657272_100000075392 [0,2,0,0,0,0|1,0,1]=4 2492 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 527a_100102657272_100000075392 [0,2,0,0,0,0|1,0,1]=4 2493 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 2230a_100000719550_200000210301 [0,2,0,0,0,0|1,0,0]=3 2494 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 34a_100000719550_200000210301 [0,2,0,0,0,0|1,0,0]=3 2495 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 2230a_100000719550_200025704644 [0,2,0,0,0,0|1,0,0]=3 2496 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 34a_100000719550_200025704644 [0,2,0,0,0,0|1,0,0]=3 2497 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC 34a_100102657272_100000764117 [0,2,0,0,0,0|0,0,0]=2 2498 B14R1.1031 COC(=O)C(C=O)Nc1ccccc1 34a_100000106764_100000046368 [0,2,0,0,0,0|2,0,0]=4 2499 B14R1.1031 COC(=O)C(C=O)Oc1ccccc1 34a_100000210340_100000046368 [0,2,0,0,0,0|2,0,0]=4 2500 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000046368_100000041952 [0,2,0,0,0,0|2,0,0]=4 2501 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000046368 [0,2,0,0,0,0|2,0,0]=4 2502 B14R1.1031 COC(=O)C(CO)Nc1ccccc1 34a_100000106764_100012276630 [0,2,0,0,0,0|2,0,0]=4 2503 B14R1.1031 COC(=O)C(CO)Oc1ccccc1 34a_100000210340_100012276630 [0,2,0,0,0,0|2,0,0]=4 2504 B14R1.1031 COC(=O)C(CO)Sc1ccccc1 62a_100000719477_100012276630 [0,2,0,0,0,0|2,0,0]=4 2505 B14R1.1031 COC(=O)C(CO)Sc1ccccc1 62a_100012276630_100000041952 [0,2,0,0,0,0|2,0,0]=4 2506 B14R1.1031 COC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000764117 [0,2,0,0,0,0|1,0,0]=3 2507 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_100000764117_200000210301 [0,2,0,0,0,0|1,0,0]=3 2508 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000764117 [0,2,0,0,0,0|1,0,0]=3 2509 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000764117_200025704644 [0,2,0,0,0,0|1,0,0]=3 2510 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000764117 [0,2,0,0,0,0|1,0,0]=3 2511 B14R1.1031 COC(=O)C(Nc1ccccc1)OC 34a_100000106764_100000101307 [0,2,0,0,0,0|2,0,0]=4 2512 B14R1.1031 COC(=O)C(OC)Oc1ccccc1 34a_100000210340_100000101307 [0,2,0,0,0,0|2,0,0]=4 2513 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000101307_100000041952 [0,2,0,0,0,0|2,0,0]=4 2514 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000719477_100000101307 [0,2,0,0,0,0|2,0,0]=4 2515 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 34a_100009819611_200000210301 [0,2,0,0,0,0|1,0,0]=3 2516 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 7a_100009819611_200000210301 [0,2,0,0,0,0|1,0,0]=3 2517 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 34a_100009819611_200025704644 [0,2,0,0,0,0|1,0,0]=3 2518 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 7a_100009819611_200025704644 [0,2,0,0,0,0|1,0,0]=3 2519 B14R1.1031 N#CC(Cc1ccccc1)C(=O)CF 1458a_100000075392_100015361967 [0,2,0,0,0,0|1,0,1]=4 2520 B14R1.1031 N#CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_100000183401 [0,2,0,0,0,0|0,0,1]=3 2521 B14R1.1107 CC(C)(Cc1ccccc1)C(=O)CF 1458a_100000757416_100015361967 [0,2,0,0,0,0|2,0,0]=4 2522 B14R1.1107 CCC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_100000210202 [0,2,0,0,0,0|2,0,0]=4 2523 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 11a_106832991635_100000757416 [0,2,0,0,0,0|2,0,0]=4 2524 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 1626a_100102657272_100000757416 [0,2,0,0,0,0|2,0,0]=4 2525 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 240690a_100102657272_100000757416 [0,2,0,0,0,0|2,0,0]=4 2526 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 527a_100102657272_100000757416 [0,2,0,0,0,0|2,0,0]=4 2527 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000689032_100000041952 [0,2,0,0,0,0|2,0,0]=4 2528 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000689032 [0,2,0,0,0,0|2,0,0]=4 2529 B14R1.1107 COC(=O)C(C)(F)Nc1ccccc1 34a_100000106764_200009867631 [0,2,0,0,0,0|2,0,0]=4 2530 B14R1.1107 COC(=O)C(C)(F)Oc1ccccc1 34a_100000210340_200009867631 [0,2,0,0,0,0|2,0,0]=4 2531 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_100000719477_200009867631 [0,2,0,0,0,0|2,0,0]=4 2532 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_200009867631_100000041952 [0,2,0,0,0,0|2,0,0]=4 2533 B14R1.1107 COC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_100000211177 [0,2,0,0,0,0|2,0,0]=4 2534 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_100000211177 [0,2,0,0,0,0|2,0,0]=4 2535 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100000211177 [0,2,0,0,0,0|2,0,0]=4 2536 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000211177_100000041952 [0,2,0,0,0,0|2,0,0]=4 2537 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100000211177 [0,2,0,0,0,0|2,0,0]=4 2538 B14R1.1107 O=C(CO)C(F)(F)Oc1ccccc1 1458a_100000210174_200000057402 [0,2,0,0,0,0|2,0,0]=4 2539 B14R1.75 COc1cccc(c1)CC(O)C(=O)C 1458a_100000693103_200000210301 [0,2,0,0,0,0|2,0,0]=4 2540 B14R1.75 COc1cccc(c1)CC(O)C(=O)[13CH3] 1458a_100000693103_200025704644 [0,2,0,0,0,0|2,0,0]=4 2541 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200009990483_200025704644 [0,2,0,0,0,0|2,0,0]=4 2542 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200025704644_200009990483 [0,2,0,0,0,0|2,0,0]=4 2543 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 34a_100102657272_200009990483 [0,2,0,0,0,0|1,0,0]=3 2544 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 7a_106832991635_200009990483 [0,2,0,0,0,0|1,0,0]=3 2545 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200000210301 [0,2,0,0,0,0|0,0,0]=2 2546 B14R1.542 CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200000210301 [0,2,0,0,0,0|0,0,0]=2 2547 B14R1.542 COC(Cc1cccc(c1)Cl)C(=O)C 34a_100138415774_200009990483 [0,2,0,0,0,0|2,0,0]=4 2548 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200000210301_200009990483 [0,2,0,0,0,0|2,0,0]=4 2549 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200009990483_200000210301 [0,2,0,0,0,0|2,0,0]=4 2550 B14R1.542 [13CH3]NC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200025704644 [0,2,0,0,0,0|0,0,0]=2 2551 B14R1.542 [13CH3]NC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200025704644 [0,2,0,0,0,0|0,0,0]=2 2552 B14R1.4404 CC(=O)C(C)(C)Cc1cccc(c1)Br 1458a_200011736070_200000210301 [0,2,0,0,0,0|2,0,0]=4 2553 B14R1.4404 CC(C)(Cc1cccc(c1)Br)C(=O)[13CH3] 1458a_200011736070_200025704644 [0,2,0,0,0,0|2,0,0]=4 2554 B14R1.1017 CC(c1ccccc1)C(N[13CH3])C(=O)O 269956a_100011215410_200025704644 [0,2,0,0,0,0|0,0,0]=2 2555 B14R1.1017 CCC(C(=O)O)N(C)c1ccccc1 269956a_100000749434_200000210301 [0,2,0,0,0,0|2,0,0]=4 2556 B14R1.1017 CCC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000749434_200025704644 [0,2,0,0,0,0|2,0,0]=4 2557 B14R1.1017 CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_200000210301 [0,2,0,0,0,0|0,0,0]=2 2558 B14R1.1027 CC(C(=O)O)N(CF)c1ccccc1 269956a_100000189636_100015361967 [0,2,0,0,0,0|2,0,0]=4 2559 B14R1.1027 CCN(c1ccccc1)C(C)C(=O)O 269956a_100000189636_100000210202 [0,2,0,0,0,0|2,0,0]=4 2560 B14R1.550 CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_200000210301 [0,2,0,0,0,0|0,0,0]=2 2561 B14R1.550 [13CH3]NC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_200025704644 [0,2,0,0,0,0|0,0,0]=2 2562 B14R1.5882 CC(=O)C(C)(C)Cc1ccccc1F 1458a_200011736048_200000210301 [0,2,0,0,0,0|2,0,0]=4 2563 B14R1.5882 CC(C)(Cc1ccccc1F)C(=O)[13CH3] 1458a_200011736048_200025704644 [0,2,0,0,0,0|2,0,0]=4 2564 B14R1.980 CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210202 [0,2,0,0,0,0|1,0,0]=3 2565 B14R1.980 CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210202 [0,2,0,0,0,0|1,0,0]=3 2566 B14R1.980 NC(=O)C(Cc1ccccc1)NCF 34a_100000745710_100015361967 [0,2,0,0,0,0|1,0,0]=3 2567 B14R1.4513 CC(=O)[C@H](Cc1ccccc1)N(C)C 1458a_102495365803_200000210301 [0,2,0,0,0,0|1,0,0]=3 2568 B14R1.4513 CN(C)[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_102495365803_200025704644 [0,2,0,0,0,0|1,0,0]=3 2569 B14R1.8844 CC(Cc1ccccc1)(N[13CH3])C(=O)O 269956a_100025773586_200025704644 [0,2,0,0,0,0|0,0,0]=2 2570 B14R1.8844 CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_200000210301 [0,2,0,0,0,0|0,0,0]=2 2571 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|1,0,0]=3 2572 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|1,0,0]=3 2573 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,1,0,1|2,0,0]=4 2574 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,1,0,1|2,0,0]=4 2575 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,1,0,1|2,0,0]=4 2576 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 2577 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 2578 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 2579 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,0,0,1,0,1|2,0,0]=4 2580 B14R2.768 CC(=O)CC1Cc2ccccc2C1 1458a_100011217126_200000210301 [0,0,0,1,0,1|2,0,0]=4 2581 B14R2.768 CC(=O)NC1Cc2ccccc2C1 11a_100000753258_100015343762 [0,0,0,1,0,1|2,0,0]=4 2582 B14R2.768 CC(=O)NC1Cc2ccccc2C1 1626a_100000753258_100015343762 [0,0,0,1,0,1|2,0,0]=4 2583 B14R2.768 CC(=O)NC1Cc2ccccc2C1 240690a_100000753258_100015343762 [0,0,0,1,0,1|2,0,0]=4 2584 B14R2.768 CC(=O)NC1Cc2ccccc2C1 527a_100000753258_100103153847 [0,0,0,1,0,1|2,0,0]=4 2585 B14R2.768 [13CH3]C(=O)CC1Cc2ccccc2C1 1458a_100011217126_200025704644 [0,0,0,1,0,1|2,0,0]=4 2586 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 2587 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 2588 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 2589 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,0,0,1,0,1|2,0,0]=4 2590 B14R2.31 O=C1CCC1NCc2ccccc2 34a_100015324214_100009892977 [0,0,0,1,0,1|2,0,0]=4 2591 B14R2.31 O=C1CCC1OCc2ccccc2 34a_100000210790_100009892977 [0,0,0,1,0,1|2,0,0]=4 2592 B14R2.31 O=C1CCC1OCc2ccccc2 7a_100000210790_100009892977 [0,0,0,1,0,1|2,0,0]=4 2593 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100000211182_100009892977 [0,0,0,1,0,1|2,0,0]=4 2594 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100009892977_100015291786 [0,0,0,1,0,1|2,0,0]=4 2595 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,0,0,1,0,1|2,0,0]=4 2596 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,0,0,1,0,1|2,0,0]=4 2597 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,0,0,1,0,1|2,0,0]=4 2598 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,0,0,1,0,1|2,0,0]=4 2599 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,0,0,1,0,1|2,0,0]=4 2600 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,0,0,1,0,1|2,0,0]=4 2601 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,0,0,1,0,1|2,0,0]=4 2602 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,0,0,1,0,1|2,0,0]=4 2603 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,0,0,1,0,1|2,0,0]=4 2604 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,0,0,1,0,1|2,0,0]=4 2605 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,0,0,1,0,1|2,0,0]=4 2606 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,0,0,1,0,1|2,0,0]=4 2607 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [0,1,0,1,0,0|2,0,0]=4 2608 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [0,1,0,1,0,0|2,0,0]=4 2609 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [0,1,0,1,0,0|2,0,0]=4 2610 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [0,1,0,1,0,0|2,0,0]=4 2611 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [0,1,0,1,0,0|2,0,0]=4 2612 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [0,1,0,1,0,0|2,0,0]=4 2613 B14R2.4529 CC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200000210301 [0,1,0,1,0,0|2,0,0]=4 2614 B14R2.4529 CC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_200000210301 [0,1,0,1,0,0|2,0,0]=4 2615 B14R2.4529 Cc1ccc2c(c1)OC(C2)C(=O)[13CH3] 1458a_100009922052_200025704644 [0,1,0,1,0,0|2,0,0]=4 2616 B14R2.4529 [13CH3]C(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200025704644 [0,1,0,1,0,0|2,0,0]=4 2617 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,1,0,0|2,0,0]=4 2618 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [0,1,0,1,0,0|2,0,0]=4 2619 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [0,1,0,1,0,0|2,0,0]=4 2620 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [0,1,0,1,0,0|2,0,0]=4 2621 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [0,1,0,1,0,0|2,0,0]=4 2622 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [0,1,0,1,0,0|2,0,0]=4 2623 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,1,0,1,0,0|2,0,0]=4 2624 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [0,1,0,1,0,0|2,0,0]=4 2625 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [0,1,0,1,0,0|2,0,0]=4 2626 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [0,1,0,1,0,0|2,0,0]=4 2627 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [0,1,0,1,0,0|2,0,0]=4 2628 B14R2.972 C#CC(=O)C1Cc2ccccc2C1 1458a_100000211873_100000753484 [0,1,0,1,0,0|2,0,0]=4 2629 B14R2.972 C=CC(=O)C1Cc2ccccc2C1 1458a_100000185746_100000753484 [0,1,0,1,0,0|2,0,0]=4 2630 B14R2.972 CCC(=O)C1Cc2ccccc2C1 1458a_100000210414_100000753484 [0,1,0,1,0,0|2,0,0]=4 2631 B14R2.972 CCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100000210202 [0,1,0,1,0,0|2,0,0]=4 2632 B14R2.972 CCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210202 [0,1,0,1,0,0|2,0,0]=4 2633 B14R2.972 CCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100000210202 [0,1,0,1,0,0|2,0,0]=4 2634 B14R2.972 CNC(=O)C1Cc2ccccc2C1 11a_106832991635_100000685393 [0,1,0,1,0,0|2,0,0]=4 2635 B14R2.972 CNC(=O)C1Cc2ccccc2C1 1626a_100102657272_100000685393 [0,1,0,1,0,0|2,0,0]=4 2636 B14R2.972 CNC(=O)C1Cc2ccccc2C1 240690a_100102657272_100000685393 [0,1,0,1,0,0|2,0,0]=4 2637 B14R2.972 CNC(=O)C1Cc2ccccc2C1 527a_100102657272_100000685393 [0,1,0,1,0,0|2,0,0]=4 2638 B14R2.972 CNC(=O)C1Cc2ccccc2O1 11a_106832991635_100000209886 [0,1,0,1,0,0|2,0,0]=4 2639 B14R2.972 CNC(=O)C1Cc2ccccc2O1 1626a_100102657272_100000209886 [0,1,0,1,0,0|2,0,0]=4 2640 B14R2.972 CNC(=O)C1Cc2ccccc2O1 240690a_100102657272_100000209886 [0,1,0,1,0,0|2,0,0]=4 2641 B14R2.972 CNC(=O)C1Cc2ccccc2O1 527a_100102657272_100000209886 [0,1,0,1,0,0|2,0,0]=4 2642 B14R2.972 CNC(=O)C1Cc2ccccc2S1 11a_106832991635_100000024912 [0,1,0,1,0,0|2,0,0]=4 2643 B14R2.972 CNC(=O)C1Cc2ccccc2S1 1626a_100102657272_100000024912 [0,1,0,1,0,0|2,0,0]=4 2644 B14R2.972 CNC(=O)C1Cc2ccccc2S1 240690a_100102657272_100000024912 [0,1,0,1,0,0|2,0,0]=4 2645 B14R2.972 CNC(=O)C1Cc2ccccc2S1 527a_100102657272_100000024912 [0,1,0,1,0,0|2,0,0]=4 2646 B14R2.972 O=C(CF)C1Cc2ccccc2C1 1458a_100000685393_100015361967 [0,1,0,1,0,0|2,0,0]=4 2647 B14R2.972 O=C(CF)C1Cc2ccccc2O1 1458a_100000209886_100015361967 [0,1,0,1,0,0|2,0,0]=4 2648 B14R2.972 O=C(CF)C1Cc2ccccc2S1 1458a_100000024912_100015361967 [0,1,0,1,0,0|2,0,0]=4 2649 B14R2.972 O=C(CO)C1Cc2ccccc2C1 1458a_100000210174_100000753484 [0,1,0,1,0,0|1,0,0]=3 2650 B14R2.972 O=C(CO)N1Cc2ccccc2C1 240690a_100000752595_100000210174 [0,1,0,1,0,0|2,0,0]=4 2651 B14R2.972 O=C(CO)N1Cc2ccccc2C1 527a_100000752595_100000210174 [0,1,0,1,0,0|2,0,0]=4 2652 B14R2.4476 CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200000210301 [0,1,0,1,0,0|2,0,0]=4 2653 B14R2.4476 [13CH3]C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200025704644 [0,1,0,1,0,0|2,0,0]=4 2654 B14R2.7969 CC(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200000210301 [0,1,0,1,0,0|2,0,0]=4 2655 B14R2.7969 [13CH3]C(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200025704644 [0,1,0,1,0,0|2,0,0]=4 2656 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,1,0,1,0,0|2,0,0]=4 2657 B14R2.5443 CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_200000210301 [0,1,0,1,0,0|2,0,0]=4 2658 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200000210301 [0,1,0,1,0,0|2,0,0]=4 2659 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Br 1458a_100000748278_200025704644 [0,1,0,1,0,0|2,0,0]=4 2660 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200025704644 [0,1,0,1,0,0|2,0,0]=4 2661 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,1,0|2,0,0]=4 2662 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,1,0|2,0,0]=4 2663 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,1,0|2,0,0]=4 2664 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,1,0|2,0,0]=4 2665 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,1,0|2,0,0]=4 2666 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,1,0|2,0,0]=4 2667 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [1,0,0,0,1,0|2,0,0]=4 2668 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [1,0,0,0,1,0|2,0,0]=4 2669 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,1,0|2,0,0]=4 2670 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,1,0|2,0,0]=4 2671 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,1,0|2,0,0]=4 2672 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,1,0|2,0,0]=4 2673 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,1,0|2,0,0]=4 2674 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [1,0,0,0,1,0|2,0,0]=4 2675 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [1,0,0,0,0,1|2,0,0]=4 2676 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [1,0,0,0,0,1|2,0,0]=4 2677 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [1,0,0,0,0,1|2,0,0]=4 2678 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [1,0,0,0,0,1|2,0,0]=4 2679 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [1,0,0,0,0,1|2,0,0]=4 2680 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [1,0,0,0,0,1|2,0,0]=4 2681 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [1,0,0,0,0,1|2,0,0]=4 2682 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [1,0,0,0,0,1|2,0,0]=4 2683 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [1,0,0,0,0,1|2,0,0]=4 2684 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [1,0,0,0,0,1|2,0,0]=4 2685 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [1,0,0,0,0,1|2,0,0]=4 2686 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [1,0,0,0,0,1|2,0,0]=4 2687 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [1,0,0,0,0,1|2,0,0]=4 2688 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [1,0,0,0,0,1|2,0,0]=4 2689 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [1,0,0,0,0,1|2,0,0]=4 2690 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [1,0,0,0,0,1|2,0,0]=4 2691 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [1,0,0,0,0,1|2,0,0]=4 2692 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [1,0,0,0,0,1|2,0,0]=4 2693 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [1,0,0,0,0,1|2,0,0]=4 2694 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,0,1|1,0,1]=4 2695 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,0,1|1,0,1]=4 2696 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [1,0,0,0,0,1|1,0,1]=4 2697 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,0,1|1,0,0]=3 2698 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,0,1|1,0,0]=3 2699 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,0,0,0,0,1|2,0,0]=4 2700 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,0,0,0,0,1|2,0,0]=4 2701 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,0,1|1,0,0]=3 2702 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,0,1|1,0,0]=3 2703 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,0,1|1,0,0]=3 2704 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [1,0,0,0,0,1|2,0,0]=4 2705 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,0,1|1,0,0]=3 2706 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,0,1|1,0,0]=3 2707 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,0,1|1,0,0]=3 2708 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,0,1|1,0,0]=3 2709 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [1,0,0,0,0,1|2,0,0]=4 2710 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [1,0,0,0,0,1|2,0,0]=4 2711 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [1,0,0,0,0,1|2,0,0]=4 2712 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [1,0,0,0,0,1|2,0,0]=4 2713 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [1,0,0,0,0,1|2,0,0]=4 2714 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [1,0,0,0,0,1|2,0,0]=4 2715 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,0,0,0,0,1|1,0,0]=3 2716 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,0,0,0,0,1|1,0,0]=3 2717 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [1,0,0,0,0,1|2,0,0]=4 2718 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [1,0,0,0,0,1|2,0,0]=4 2719 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,0,0,0,0,1|1,0,0]=3 2720 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,0,0,0,0,1|1,0,0]=3 2721 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [1,0,0,0,0,1|2,0,0]=4 2722 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 2723 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 2724 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,0,0,0,1|1,0,0]=3 2725 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,0,0,0,1|1,0,0]=3 2726 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 2727 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 2728 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [1,0,0,0,0,1|2,0,0]=4 2729 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [1,0,0,0,0,1|2,0,0]=4 2730 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 2731 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 2732 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [1,0,0,0,0,1|2,0,0]=4 2733 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [1,0,0,0,0,1|2,0,0]=4 2734 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 2735 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 2736 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [1,0,0,0,0,1|2,0,0]=4 2737 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [1,0,0,0,0,1|2,0,0]=4 2738 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,0,0,0,0,1|2,0,0]=4 2739 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,0,0,0,0,1|2,0,0]=4 2740 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,0,0,0,0,1|2,0,0]=4 2741 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,0,0,0,0,1|2,0,0]=4 2742 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,0,0,0,0,1|2,0,0]=4 2743 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [1,0,0,0,0,1|1,0,1]=4 2744 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [1,0,0,0,0,1|1,0,1]=4 2745 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [1,0,0,0,0,1|1,0,1]=4 2746 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [1,0,0,0,0,1|1,0,1]=4 2747 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [1,0,0,0,0,1|1,0,1]=4 2748 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [1,0,0,0,0,1|1,0,1]=4 2749 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [1,0,0,0,0,1|1,0,1]=4 2750 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [1,0,0,0,0,1|1,0,1]=4 2751 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [1,0,0,0,0,1|1,0,1]=4 2752 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [1,0,0,0,0,1|1,0,1]=4 2753 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [1,0,0,0,0,1|1,0,1]=4 2754 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [1,0,0,0,0,1|1,0,1]=4 2755 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [1,0,0,0,0,1|1,0,1]=4 2756 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [1,0,0,0,0,1|1,0,1]=4 2757 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [1,0,0,0,0,1|1,0,1]=4 2758 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [1,0,0,0,0,1|1,0,1]=4 2759 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [1,0,0,0,0,1|1,0,1]=4 2760 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [1,0,0,0,0,1|1,0,1]=4 2761 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [1,0,0,0,0,1|1,0,1]=4 2762 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [1,0,0,0,0,1|1,0,1]=4 2763 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [1,0,0,0,0,1|1,0,1]=4 2764 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,0,0,0,0,1|1,0,0]=3 2765 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,0,0,0,0,1|1,0,0]=3 2766 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,0,0,0,0,1|1,0,0]=3 2767 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [1,0,0,0,0,1|2,0,0]=4 2768 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [1,0,0,0,0,1|2,0,0]=4 2769 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [1,0,0,0,0,1|2,0,0]=4 2770 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,0,0,0,0,1|1,0,0]=3 2771 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,0,0,0,0,1|1,0,0]=3 2772 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [1,0,0,0,0,1|2,0,0]=4 2773 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [1,0,0,0,0,1|2,0,0]=4 2774 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [1,0,0,0,0,1|2,0,0]=4 2775 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [1,0,0,0,0,1|2,0,0]=4 2776 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [1,0,0,0,0,1|2,0,0]=4 2777 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [1,0,0,0,0,1|2,0,0]=4 2778 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,0,0,0,0,1|1,0,0]=3 2779 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,0,0,0,0,1|1,0,0]=3 2780 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,0,0,0,0,1|1,0,0]=3 2781 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [1,0,0,0,0,1|2,0,0]=4 2782 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [1,0,0,0,0,1|2,0,0]=4 2783 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [1,0,0,0,0,1|2,0,0]=4 2784 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,0,0,0,0,1|1,0,0]=3 2785 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,0,0,0,0,1|1,0,0]=3 2786 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,0,0,0,0,1|1,0,0]=3 2787 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,0,0,0,0,1|1,0,0]=3 2788 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [1,0,0,0,0,1|2,0,0]=4 2789 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [1,0,0,0,0,1|2,0,0]=4 2790 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [1,0,0,0,0,1|2,0,0]=4 2791 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [1,0,0,0,0,1|2,0,0]=4 2792 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [1,0,0,0,0,1|2,0,0]=4 2793 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [1,0,0,0,0,1|2,0,0]=4 2794 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,0,1|0,0,0]=2 2795 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [1,0,0,0,0,1|1,0,0]=3 2796 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [1,0,0,0,0,1|1,0,0]=3 2797 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [1,0,0,0,0,1|2,0,0]=4 2798 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [1,0,0,0,0,1|1,0,0]=3 2799 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [1,0,0,0,0,1|2,0,0]=4 2800 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [1,0,0,0,0,1|2,0,0]=4 2801 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [1,0,0,0,0,1|2,0,0]=4 2802 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,0,0,0,0,1|0,0,1]=3 2803 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,0,0,0,0,1|0,0,1]=3 2804 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,0,0,0,0,1|0,0,1]=3 2805 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,0,0,0,0,1|0,0,1]=3 2806 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [1,0,0,0,0,1|1,0,1]=4 2807 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [1,0,0,0,0,1|1,0,1]=4 2808 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [1,0,0,0,0,1|1,0,1]=4 2809 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [1,0,0,0,0,1|1,0,1]=4 2810 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [1,0,0,0,0,1|1,0,1]=4 2811 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [1,0,0,0,0,1|1,0,1]=4 2812 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [1,0,0,0,0,1|1,0,1]=4 2813 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [1,0,0,0,0,1|1,0,1]=4 2814 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [1,0,0,0,0,1|1,0,1]=4 2815 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,0,1|1,0,1]=4 2816 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,0,1|1,0,0]=3 2817 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,0,0,0,0,1|2,0,0]=4 2818 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,0,0,0,0,1|2,0,0]=4 2819 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,0,1|1,0,0]=3 2820 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,0,1|1,0,0]=3 2821 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,0,0,0,0,1|1,0,0]=3 2822 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,0,0,0,0,1|1,0,0]=3 2823 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [1,0,0,0,0,1|2,0,0]=4 2824 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [0,0,0,0,0,2|2,0,0]=4 2825 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,0,0,0,0,2|2,0,0]=4 2826 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,0,0,0,0,2|2,0,0]=4 2827 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,0,0,0,0,2|1,0,0]=3 2828 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,0,0,0,0,2|2,0,0]=4 2829 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,0,0,0,0,2|2,0,0]=4 2830 B14R1.423 CC(Cc1ccccc1)OCC(=O)[O-] 34a_100000748627_100020667443 [0,0,0,0,0,2|1,0,1]=4 2831 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,0,0,0,0,2|2,0,0]=4 2832 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,0,0,0,0,2|2,0,0]=4 2833 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_200011218536 [0,0,0,0,0,2|1,0,1]=4 2834 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_200011218536_100020667443 [0,0,0,0,0,2|1,0,1]=4 2835 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,0,0,0,0,2|2,0,0]=4 2836 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,0,0,0,0,2|2,0,0]=4 2837 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,0,0,0,0,2|2,0,0]=4 2838 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,0,0,0,0,2|2,0,0]=4 2839 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,0,0,0,0,2|2,0,0]=4 2840 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,0,0,0,0,2|2,0,0]=4 2841 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,0,0,0,0,2|2,0,0]=4 2842 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,0,0,0,0,2|2,0,0]=4 2843 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,0,0,0,0,2|2,0,0]=4 2844 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,0,0,0,0,2|2,0,0]=4 2845 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,0,0,0,0,2|2,0,0]=4 2846 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,0,0,0,0,2|2,0,0]=4 2847 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,0,0,0,0,2|2,0,0]=4 2848 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,0,0,0,0,2|2,0,0]=4 2849 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,0,0,0,0,2|2,0,0]=4 2850 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,0,0,0,0,2|2,0,0]=4 2851 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,0,0,0,0,2|2,0,0]=4 2852 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,0,0,0,0,2|2,0,0]=4 2853 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,0,0,0,0,2|2,0,0]=4 2854 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,0,0,0,0,2|2,0,0]=4 2855 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100009814033_100011218342 [0,0,0,0,0,2|2,0,0]=4 2856 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100011218342_100009814033 [0,0,0,0,0,2|2,0,0]=4 2857 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,0,0,0,0,2|1,0,0]=3 2858 B14R1.6449 CC(CNCc1ccccn1)C(=O)O 269956a_100000749485_100000721315 [0,0,0,0,0,2|2,0,0]=4 2859 B14R1.6449 CC(CNCc1cccnc1)C(=O)O 269956a_100000749485_100000733263 [0,0,0,0,0,2|2,0,0]=4 2860 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [0,0,0,0,0,2|2,0,0]=4 2861 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,0,0,0,0,2|2,0,0]=4 2862 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,0,0,0,0,2|2,0,0]=4 2863 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,0,0,0,0,2|2,0,0]=4 2864 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,0,0,0,0,2|2,0,0]=4 2865 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,0,0,0,0,2|2,0,0]=4 2866 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,0,0,0,0,2|2,0,0]=4 2867 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100000702099_100011218342 [0,0,0,0,0,2|2,0,0]=4 2868 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100011218342_100000702099 [0,0,0,0,0,2|2,0,0]=4 2869 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,0,0,0,0,2|2,0,0]=4 2870 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,0,0,0,0,2|2,0,0]=4 2871 B14R1.6449 C[C@@H](NCSc1ccccc1)C(=O)N 2230a_100000119354_100011218342 [0,0,0,0,0,2|2,0,0]=4 2872 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,0,0,0,0,2|2,0,0]=4 2873 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,0,0,0,0,2|2,0,0]=4 2874 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,0,0,0,0,2|1,0,0]=3 2875 B14R1.6449 C[C@H](NCCc1ccccn1)C(=O)O 269956a_100000743915_100015183660 [0,0,0,0,0,2|2,0,0]=4 2876 B14R1.6449 C[C@H](NCCc1cccnc1)C(=O)O 269956a_100000743915_200011713674 [0,0,0,0,0,2|2,0,0]=4 2877 B14R1.6449 C[C@H](NCCc1ccncc1)C(=O)O 269956a_100000743915_100000723409 [0,0,0,0,0,2|2,0,0]=4 2878 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,0,0,0,0,2|1,0,0]=3 2879 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,0,0,0,0,2|1,0,1]=4 2880 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 2230a_100000106460_100009813875 [0,0,0,0,0,2|2,0,0]=4 2881 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 34a_100000106460_100009813875 [0,0,0,0,0,2|2,0,0]=4 2882 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 34a_100000210268_100009813875 [0,0,0,0,0,2|2,0,0]=4 2883 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 7a_100000210268_100009813875 [0,0,0,0,0,2|2,0,0]=4 2884 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100000765856_100009813875 [0,0,0,0,0,2|2,0,0]=4 2885 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100009813875_100011218657 [0,0,0,0,0,2|2,0,0]=4 2886 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100009813875_100011218342 [0,0,0,0,0,2|2,0,0]=4 2887 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100011218342_100009813875 [0,0,0,0,0,2|2,0,0]=4 2888 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,0,0,0,0,2|1,0,0]=3 2889 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccn1 34a_100000729942_100000721315 [0,0,0,0,0,2|2,0,0]=4 2890 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnc1 34a_100000729942_100000733263 [0,0,0,0,0,2|2,0,0]=4 2891 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,0,0,0,0,2|1,0,0]=3 2892 B14R1.6449 O=C(O)C(F)CNCc1ccccn1 269956a_100000084737_100000721315 [0,0,0,0,0,2|2,0,0]=4 2893 B14R1.6449 O=C(O)C(F)CNCc1cccnc1 269956a_100000084737_100000733263 [0,0,0,0,0,2|2,0,0]=4 2894 B14R1.6449 O=C(O)C(F)CNCc1ccncc1 269956a_100000084737_100015193705 [0,0,0,0,0,2|2,0,0]=4 2895 B14R1.6449 O=C([O-])C(F)NCCc1ccccc1 34a_100000106460_100020610796 [0,0,0,0,0,2|1,0,1]=4 2896 B14R1.6449 O=C([O-])C(F)OCCc1ccccc1 34a_100000210268_100020610796 [0,0,0,0,0,2|1,0,1]=4 2897 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100000765856_100020610796 [0,0,0,0,0,2|1,0,1]=4 2898 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100020610796_100011218657 [0,0,0,0,0,2|1,0,1]=4 2899 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100011218342_100020610796 [0,0,0,0,0,2|1,0,1]=4 2900 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100020610796_100011218342 [0,0,0,0,0,2|1,0,1]=4