0 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.35 C=C(C)c1cc(n[nH]1)Br 271570a_100000694244_100160470719 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|0,0,2]=3 88 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|0,0,2]=3 91 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|2,0,0]=3 92 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|2,0,0]=3 93 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|1,0,2]=4 94 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|1,0,2]=4 95 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|0,0,2]=3 96 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,0,1,0,0,0|0,0,2]=3 99 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,0,1,0,0,0|0,0,2]=3 100 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,1|2,0,1]=4 102 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,1|2,0,1]=4 103 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,1|2,0,1]=4 104 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,1|2,0,1]=4 106 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,1|2,0,1]=4 107 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,1|2,0,1]=4 108 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,1|2,0,0]=3 109 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,1|2,0,0]=3 110 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,1|2,0,1]=4 114 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,1|2,0,1]=4 115 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,0,1|1,0,0]=2 116 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,0,1|2,0,0]=3 117 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,1|2,0,1]=4 122 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,1|2,0,1]=4 127 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,1|2,0,1]=4 128 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,0,1|2,0,1]=4 131 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,0,1|1,0,0]=2 133 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,0,1|2,0,0]=3 134 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,1|2,0,0]=3 135 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,0,1|2,0,1]=4 141 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|1,0,0]=3 143 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,1,0,0,0|1,0,1]=4 145 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|0,0,2]=4 147 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [2,0,0,0,0,0|1,0,1]=4 148 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [2,0,0,0,0,0|1,0,1]=4 149 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|1,0,0]=3 150 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|1,0,0]=3 151 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [2,0,0,0,0,0|2,0,0]=4 152 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [2,0,0,0,0,0|2,0,0]=4 153 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [2,0,0,0,0,0|1,0,1]=4 154 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [2,0,0,0,0,0|1,0,1]=4 157 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|1,0,0]=3 158 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [2,0,0,0,0,0|1,0,1]=4 159 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|1,0,1]=4 160 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,1,0,0,0|0,0,2]=4 161 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,1,0,0,0|0,0,2]=4 162 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,1,0,0,0|0,0,2]=4 163 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,1,0,0,0|2,0,0]=4 168 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,1,0,0,0|0,0,2]=4 169 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,1,0,0,0|0,0,2]=4 171 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|0,0,2]=4 172 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,1,0,0,0|0,0,2]=4 173 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,1,1,0,0,0|1,0,1]=4 174 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,1,0,0,0|0,0,2]=4 175 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,1,1,0,0,0|1,0,1]=4 176 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,1,1,0,0,0|1,0,1]=4 177 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,1,1,0,0,0|1,0,1]=4 178 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,1,0,0,0|0,0,2]=4 180 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,1,0,0,0|0,0,2]=4 183 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,1,1,0,0,0|0,0,2]=4 184 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.1 C=Cc1cc(n[nH]1)Br 271570a_100011290941_100160470719 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [1,1,0,0,0,0|1,0,1]=4 190 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|1,0,1]=4 200 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,1|1,0,1]=4 236 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,1|1,0,1]=4 237 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,1|1,0,1]=4 238 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,1|1,0,1]=4 239 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,1|1,0,1]=4 242 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,1|1,0,1]=4 243 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,1|1,0,1]=4 244 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,1|1,0,1]=4 245 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,1|1,0,1]=4 246 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,1|1,0,1]=4 269 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,1|1,0,1]=4 271 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,1|1,0,1]=4 272 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,1|1,0,1]=4 273 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,1|1,0,1]=4 276 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,1|1,0,1]=4 278 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,1|1,0,1]=4 279 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,1|1,0,1]=4 288 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|1,0,1]=4 296 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,1|1,0,1]=4 298 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,1|1,0,1]=4 299 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,1|1,0,1]=4 301 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,1|1,0,1]=4 302 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|1,0,1]=4 304 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,1|1,0,1]=4 306 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,1|1,0,1]=4 307 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,1|1,0,1]=4 308 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.27 C#CC(=O)Cc1ccn[nH]1 1458a_100000211873_100000728653 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,1|1,0,0]=3 316 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,1|1,0,0]=3 321 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,1|1,0,0]=3 322 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,1|1,0,0]=3 323 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.27 O=C(CF)Cc1ccn[nH]1 1458a_100000752941_100015361967 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,0,1|1,0,1]=4 337 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,1,0,0,0,1|1,0,0]=3 338 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,0,1|1,0,1]=4 339 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,0,1|1,0,1]=4 342 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,1|1,0,1]=4 343 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,1|1,0,1]=4 344 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,2,0,0,0,0|0,1,0]=3 361 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,2,0,0,0,0|0,1,0]=3 362 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,2,0,0,0,0|1,1,0]=4 363 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,2,0,0,0,0|1,1,0]=4 364 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,2,0,0,0,0|1,1,0]=4 365 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,2,0,0,0,0|1,1,0]=4 366 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,2,0,0,0,0|0,1,0]=3 367 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,2,0,0,0,0|0,1,0]=3 368 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,2,0,0,0,0|1,1,0]=4 369 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,2,0,0,0,0|1,1,0]=4 370 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,2,0,0,0,0|1,1,0]=4 371 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,2,0,0,0,0|1,1,0]=4 372 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,2,0,0,0,0|1,0,1]=4 377 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,2,0,0,0,0|1,0,0]=3 379 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,2,0,0,0,0|0,0,0]=2 380 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,2,0,0,0,0|0,0,0]=2 393 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.31 C=C(C)c1cc(c[nH]1)C=O 271570a_100000694244_100009882863 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.39 C=Cc1cn[nH]c1C(=O)N 271570a_100011290941_200009820792 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,2,0,0,0,0|0,0,2]=4 443 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200000210301_200009820792 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200009820792_200000210301 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,2,0,0,0,0|0,0,2]=4 447 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200009820792_200025704644 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200025704644_200009820792 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [0,2,0,0,0,0|2,0,0]=4 451 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,1,1,0,0|2,0,0]=4 452 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,1,1,0,0|2,0,0]=4 453 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,0,1,1,0,0|2,0,0]=4 454 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,1,1,0,0|1,0,0]=3 455 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,1,1,0,0|1,0,0]=3 456 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,1,1,0,0|2,0,0]=4 457 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,1,1,0,0|2,0,0]=4 458 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,1,1,0,0|2,0,0]=4 459 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,1,1,0,0|2,0,0]=4 460 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,0,1,1,0,0|2,0,0]=4 461 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,1,1,0,0|2,0,0]=4 462 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [0,0,1,1,0,0|2,0,0]=4 463 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [0,0,1,1,0,0|2,0,0]=4 464 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [0,0,1,1,0,0|2,0,0]=4 465 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [0,0,1,1,0,0|2,0,0]=4 466 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [0,0,1,1,0,0|2,0,0]=4 467 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,0,1,1,0,0|2,0,0]=4 468 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,0,1,1,0,0|2,0,0]=4 469 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,1,1,0,0|2,0,0]=4 470 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,1,1,0,0|2,0,0]=4 471 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,0,1,1,0,0|1,0,0]=3 472 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,0,1,1,0,0|1,0,0]=3 473 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,0,1,1,0,0|2,0,0]=4 474 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,0,1,1,0,0|2,0,0]=4 475 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,0,1,1,0,0|2,0,0]=4 476 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,0,1,1,0,0|2,0,0]=4 477 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,0,1,1,0,0|2,0,0]=4 478 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,1,1,0,0|2,0,0]=4 479 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,0,1,1,0,0|2,0,0]=4 480 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [0,0,1,1,0,0|2,0,0]=4 481 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [0,0,1,1,0,0|2,0,0]=4 482 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [0,0,1,1,0,0|2,0,0]=4 483 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,0,1,1,0,0|2,0,0]=4 484 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,0,1,1,0,0|2,0,0]=4 485 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,0,1,1,0,0|2,0,0]=4 486 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,0,1,1,0,0|2,0,0]=4 487 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,0,1,1,0,0|2,0,0]=4 488 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [0,0,0,1,0,1|1,1,0]=4 489 B10R2.2 Oc1nn2ccnc2s1 271570a_203496583355_100011333511 [0,0,0,1,0,1|2,0,0]=4 490 B10R2.32 Oc1csc2c1scc2 271570a_203496583355_100009817191 [0,1,0,1,0,0|1,1,0]=4 491 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,1|2,0,0]=4 492 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,1|1,0,1]=4 493 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,1|1,0,1]=4 494 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,1|1,0,1]=4 495 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,1|2,0,0]=4 496 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,1|1,0,1]=4 497 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,1|1,0,1]=4 498 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,1|1,0,1]=4 499 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,2|2,0,0]=4 500 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,2|1,0,1]=4 501 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,2|1,0,1]=4 502 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,2|1,0,1]=4 503 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,2|1,0,1]=4 504 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,2|1,0,1]=4 505 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,2|2,0,0]=4 506 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,2|1,0,1]=4 507 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,2|1,0,1]=4 508 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,2|2,0,0]=4 509 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,2|2,0,0]=4 510 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,2|2,0,0]=4 511 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,2|2,0,0]=4 512 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,2|1,0,1]=4 513 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,2|1,0,1]=4 514 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,2|2,0,0]=4 515 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,2|1,0,0]=3 516 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,2|2,0,0]=4 517 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,2|2,0,0]=4 518 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,2|2,0,0]=4 519 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,2|2,0,0]=4 520 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,2|2,0,0]=4 521 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,2|1,0,0]=3 522 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,2|1,0,0]=3 523 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,2|1,0,0]=3 524 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,2|2,0,0]=4 525 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,2|2,0,0]=4 526 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,2|2,0,0]=4 527 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,2|2,0,0]=4 528 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,2|2,0,0]=4 529 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,2|2,0,0]=4 530 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,2|2,0,0]=4 531 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,2|2,0,0]=4 532 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,2|2,0,0]=4 533 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,2|2,0,0]=4 534 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,2|2,0,0]=4 535 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,2|2,0,0]=4 536 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,2|2,0,0]=4 537 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,2|2,0,0]=4 538 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,2|2,0,0]=4 539 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,2|2,0,0]=4 540 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,2|2,0,0]=4 541 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,2|1,0,1]=4 542 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,2|1,0,1]=4 543 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,2|1,0,1]=4 544 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,2|1,0,1]=4 545 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,2|1,0,1]=4 546 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,2|1,0,1]=4 547 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,2|2,0,0]=4 548 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,2|1,0,0]=3 549 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,2|2,0,0]=4 550 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,2|2,0,0]=4 551 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,2|2,0,0]=4 552 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,2|2,0,0]=4