0 B15R1.5450 CC(=NNC(C)C)c1cc(cc(c1)O)C 4a_100000741168_100009855872 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.5450 CC(=NNC(C)C)c1cc(cc(c1)O)O 4a_100000741168_100000032396 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.5450 CC(C)CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210312 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.5450 CC(C)CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210312 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.5450 CC(C)CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210312 [0,0,0,0,0,0|2,0,2]=4 5 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)O)O 240690a_100000210953_100000690292 [0,0,0,0,0,0|2,0,2]=4 6 B15R1.5450 CC(C)CNC(=O)c1cc(cc(c1)O)O 527a_100000210953_100000690292 [0,0,0,0,0,0|2,0,2]=4 7 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)Cl)Cl 2230a_100138425928_200012340517 [0,0,0,0,0,0|2,0,2]=4 8 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)Cl)Cl 34a_100138425928_200012340517 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)F)F 2230a_100138425928_100011216790 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)F)F 34a_100138425928_100011216790 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100138425928_100010006762 [0,0,0,0,0,0|0,0,2]=2 12 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 34a_100138425928_100010006762 [0,0,0,0,0,0|0,0,2]=2 13 B15R1.5450 CC(C)NNC(=O)c1cc(cc(c1)Br)O 22a_100000741168_100011934545 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.5450 CC(C)NNC(=O)c1cc(cc(c1)Cl)O 22a_100000741168_100011997059 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.5450 CC(C)NNC(=O)c1cc(cc(c1)F)O 22a_100000741168_100012017291 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.5450 CC(C)NNC(=O)c1cc(cc(c1)O)O 22a_100000741168_100000690292 [0,0,0,0,0,0|1,0,2]=3 17 B15R1.5450 CC(C)OCC(=O)c1cc(cc(c1)O)O 34a_100000212225_100010006762 [0,0,0,0,0,0|1,0,2]=3 18 B15R1.5450 CC(C)OCC(N)c1cc(cc(c1)F)F 34a_100012004969_100000210206 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.5450 CC(C)OC[C@@H](N)c1cc(cc(c1)Br)F 34a_100138412358_100000210206 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.5450 CC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100000210206_100010006762 [0,0,0,0,0,0|1,0,2]=3 21 B15R1.5450 CC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210206 [0,0,0,0,0,0|1,0,2]=3 22 B15R1.5450 Cc1cc(cc(c1)C(=O)CCC(C)C)O 1458a_100000094094_100000210312 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.5450 Cc1cc(cc(c1)C(=O)NNC(C)C)O 22a_100000741168_100000094094 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.5450 Cc1cc(cc(c1)C(C)NCC(C)C)O 269862a_100000210953_100009855872 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.149 CC(=NNC(C)C)c1cccc(c1)O 4a_100000741168_100000211620 [1,0,0,0,0,0|2,0,1]=4 26 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [1,0,0,0,0,0|1,0,1]=3 27 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [1,0,0,0,0,0|1,0,1]=3 28 B14R1.149 CC(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210312 [1,0,0,0,0,0|1,0,2]=4 29 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 2230a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 30 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 269982a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 31 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 34a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 32 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 2230a_100000740644_100000210760 [1,0,0,0,0,0|3,0,0]=4 33 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 269862a_100000210953_100000211620 [1,0,0,0,0,0|3,0,0]=4 34 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 270004a_100000740644_100000210432 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 2230a_100138425928_100000212080 [1,0,0,0,0,0|1,0,2]=4 36 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 34a_100138425928_100000212080 [1,0,0,0,0,0|1,0,2]=4 37 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 2230a_100138425928_100000211444 [1,0,0,0,0,0|1,0,2]=4 38 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 34a_100138425928_100000211444 [1,0,0,0,0,0|1,0,2]=4 39 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 2230a_100138425928_100000215616 [1,0,0,0,0,0|1,0,2]=4 40 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 34a_100138425928_100000215616 [1,0,0,0,0,0|1,0,2]=4 41 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [1,0,0,0,0,0|0,0,2]=3 42 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000210206 [1,0,0,0,0,0|0,0,0]=1 43 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210206 [1,0,0,0,0,0|0,0,0]=1 44 B14R1.149 CC(C)NNC(=O)c1cccc(c1)O 22a_100000741168_100000183914 [1,0,0,0,0,0|1,0,2]=4 45 B14R1.149 CC(C)OCC(=O)c1cccc(c1)O 34a_100000212225_100009813753 [1,0,0,0,0,0|1,0,2]=4 46 B14R1.149 CC(C)OCC(N)c1cccc(c1)Br 34a_100000690078_100000210206 [1,0,0,0,0,0|3,0,0]=4 47 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 2230a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 48 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 269982a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 49 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 34a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 50 B14R1.149 CC(C)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210206 [1,0,0,0,0,0|3,0,0]=4 51 B14R1.149 CC(C)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210206 [1,0,0,0,0,0|3,0,0]=4 52 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100000210206_100009813753 [1,0,0,0,0,0|1,0,2]=4 53 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_100000210206 [1,0,0,0,0,0|1,0,2]=4 54 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 2230a_100138425928_100000739480 [1,0,0,0,0,0|1,0,2]=4 55 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000739480 [1,0,0,0,0,0|1,0,2]=4 56 B14R1.149 Cc1cccc(c1)[C@H](N)COC(C)C 34a_100009818812_100000210206 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.923 CCNCC(=O)c1cc(cc(c1)O)O 2230a_100015525214_100010006762 [1,0,0,0,0,0|0,0,2]=3 58 B14R1.923 CCNN=C(C)c1cc(cc(c1)O)O 4a_100000756455_100000032396 [1,0,0,0,0,0|2,0,1]=4 59 B14R1.923 CCNNC(=O)c1cc(cc(c1)O)O 22a_100000756455_100000690292 [1,0,0,0,0,0|1,0,2]=4 60 B14R1.923 CCOCC(=O)c1cc(cc(c1)O)O 34a_100121572206_100010006762 [1,0,0,0,0,0|1,0,2]=4 61 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100000210202_100010006762 [1,0,0,0,0,0|1,0,2]=4 62 B14R1.923 CCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210202 [1,0,0,0,0,0|1,0,2]=4 63 B14R1.4250 CC(=CCNc1cc(cc(c1)O)O)C 34a_100000043371_100000761012 [1,0,0,0,0,0|2,0,1]=4 64 B14R1.4250 CC(=CCSc1cc(cc(c1)O)O)C 62a_100000761012_100009868816 [1,0,0,0,0,0|2,0,1]=4 65 B14R1.4250 CC(C)CC=Cc1cc(cc(c1)O)O 271570a_100016259101_100009868816 [1,0,0,0,0,0|1,0,2]=4 66 B14R1.4250 CC(C)CCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210312 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.4250 CC(C)CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210626 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.4250 CC(C)CCNc1cc(cc(c1)O)O 34a_100000043371_100000210312 [1,0,0,0,0,0|2,0,0]=3 69 B14R1.4250 CC(C)CCSc1cc(cc(c1)Br)O 62a_100000210312_100010068917 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.4250 CC(C)CCSc1cc(cc(c1)Br)O 62a_100010068917_100000210312 [1,0,0,0,0,0|3,0,0]=4 71 B14R1.4250 CC(C)CCSc1cc(cc(c1)Cl)O 62a_100000210312_100010068924 [1,0,0,0,0,0|3,0,0]=4 72 B14R1.4250 CC(C)CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210312 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.4250 CC(C)CCSc1cc(cc(c1)F)O 62a_100000210312_100000688818 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.4250 CC(C)CCSc1cc(cc(c1)F)O 62a_100000688818_100000210312 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.4250 CC(C)CCSc1cc(cc(c1)O)O 62a_100000210312_100009868816 [1,0,0,0,0,0|2,0,0]=3 76 B14R1.4250 CC(C)CNCc1cc(cc(c1)Br)O 207a_100000210953_100010176088 [1,0,0,0,0,0|3,0,0]=4 77 B14R1.4250 CC(C)CNCc1cc(cc(c1)Br)O 270004a_100000210953_100010176088 [1,0,0,0,0,0|3,0,0]=4 78 B14R1.4250 CC(C)CNCc1cc(cc(c1)Cl)O 207a_100000210953_100000050827 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.4250 CC(C)CNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210760 [1,0,0,0,0,0|3,0,0]=4 80 B14R1.4250 CC(C)CNCc1cc(cc(c1)Cl)O 270004a_100000210953_100000050827 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.4250 CC(C)CNCc1cc(cc(c1)Cl)O 270004a_107254831445_100000210432 [1,0,0,0,0,0|3,0,0]=4 82 B14R1.4250 CC(C)CNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210624 [1,0,0,0,0,0|3,0,0]=4 83 B14R1.4250 CC(C)CNCc1cc(cc(c1)F)O 207a_100000210953_100000703664 [1,0,0,0,0,0|3,0,0]=4 84 B14R1.4250 CC(C)CNCc1cc(cc(c1)F)O 2230a_100160469513_100000210760 [1,0,0,0,0,0|3,0,0]=4 85 B14R1.4250 CC(C)CNCc1cc(cc(c1)F)O 270004a_100000210953_100000703664 [1,0,0,0,0,0|3,0,0]=4 86 B14R1.4250 CC(C)CNCc1cc(cc(c1)F)O 34a_100160469513_100000210624 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.4250 CC(C)CNCc1cc(cc(c1)O)O 207a_100000210953_100000043415 [1,0,0,0,0,0|2,0,0]=3 88 B14R1.4250 CC(C)CNCc1cc(cc(c1)O)O 2230a_100159270720_100000210760 [1,0,0,0,0,0|2,0,0]=3 89 B14R1.4250 CC(C)CNCc1cc(cc(c1)O)O 34a_100159270720_100000210624 [1,0,0,0,0,0|2,0,0]=3 90 B14R1.4250 CC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210206 [1,0,0,0,0,0|2,0,0]=3 91 B14R1.4250 CC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100138425928_100000691793 [1,0,0,0,0,0|2,0,0]=3 92 B14R1.4250 CC(C)NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210206 [1,0,0,0,0,0|2,0,0]=3 93 B14R1.4250 CC(C)NCCc1cc(cc(c1)Cl)Cl 34a_100138425928_100000691793 [1,0,0,0,0,0|2,0,0]=3 94 B14R1.4250 CC(C)NCCc1cc(cc(c1)F)F 2230a_100000748410_100000210206 [1,0,0,0,0,0|2,0,0]=3 95 B14R1.4250 CC(C)NCCc1cc(cc(c1)F)F 2230a_100138425928_100011754442 [1,0,0,0,0,0|2,0,0]=3 96 B14R1.4250 CC(C)NCCc1cc(cc(c1)F)F 34a_100000748410_100000210206 [1,0,0,0,0,0|2,0,0]=3 97 B14R1.4250 CC(C)NCCc1cc(cc(c1)F)F 34a_100138425928_100011754442 [1,0,0,0,0,0|2,0,0]=3 98 B14R1.4250 CC(C)NN=Cc1cc(cc(c1)Br)O 4a_100000741168_100010176088 [1,0,0,0,0,0|2,0,1]=4 99 B14R1.4250 CC(C)NN=Cc1cc(cc(c1)Cl)O 4a_100000741168_100000050827 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.4250 CC(C)NN=Cc1cc(cc(c1)F)O 4a_100000741168_100000703664 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.4250 CC(C)NN=Cc1cc(cc(c1)O)O 4a_100000741168_100000043415 [1,0,0,0,0,0|1,0,1]=3 102 B14R1.4250 CC(C)OCCc1cc(cc(c1)Br)Br 34a_100010243668_100000210206 [1,0,0,0,0,0|3,0,0]=4 103 B14R1.4250 CC(C)OCCc1cc(cc(c1)Br)Br 7a_100010243668_100000210206 [1,0,0,0,0,0|3,0,0]=4 104 B14R1.4250 CC(C)OCCc1cc(cc(c1)Br)F 34a_100012630564_100000210206 [1,0,0,0,0,0|3,0,0]=4 105 B14R1.4250 CC(C)OCCc1cc(cc(c1)Br)F 7a_100012630564_100000210206 [1,0,0,0,0,0|3,0,0]=4 106 B14R1.4250 CC(C)OCCc1cc(cc(c1)Cl)Cl 34a_100000212225_100000691793 [1,0,0,0,0,0|3,0,0]=4 107 B14R1.4250 CC(C)OCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100000210206 [1,0,0,0,0,0|3,0,0]=4 108 B14R1.4250 CC(C)OCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100000210206 [1,0,0,0,0,0|3,0,0]=4 109 B14R1.4250 CC(C)OCCc1cc(cc(c1)F)F 34a_100000212225_100011754442 [1,0,0,0,0,0|3,0,0]=4 110 B14R1.4250 CC(C)OCCc1cc(cc(c1)F)F 34a_100011754358_100000210206 [1,0,0,0,0,0|3,0,0]=4 111 B14R1.4250 CC(C)OCCc1cc(cc(c1)F)F 7a_100011754358_100000210206 [1,0,0,0,0,0|3,0,0]=4 112 B14R1.4250 CC(C)OCNc1cc(cc(c1)Cl)O 34a_100000123917_100000709892 [1,0,0,0,0,0|3,0,0]=4 113 B14R1.4250 CC(C)OCNc1cc(cc(c1)O)O 34a_100000043371_100000709892 [1,0,0,0,0,0|2,0,0]=3 114 B14R1.4250 CC(C)OCSc1cc(cc(c1)Br)O 62a_100000709892_100010068917 [1,0,0,0,0,0|3,0,0]=4 115 B14R1.4250 CC(C)OCSc1cc(cc(c1)Br)O 62a_100010068917_100000709892 [1,0,0,0,0,0|3,0,0]=4 116 B14R1.4250 CC(C)OCSc1cc(cc(c1)Cl)O 62a_100000709892_100010068924 [1,0,0,0,0,0|3,0,0]=4 117 B14R1.4250 CC(C)OCSc1cc(cc(c1)Cl)O 62a_100010068924_100000709892 [1,0,0,0,0,0|3,0,0]=4 118 B14R1.4250 CC(C)OCSc1cc(cc(c1)F)O 62a_100000688818_100000709892 [1,0,0,0,0,0|3,0,0]=4 119 B14R1.4250 CC(C)OCSc1cc(cc(c1)F)O 62a_100000709892_100000688818 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.4250 CC(C)OCSc1cc(cc(c1)O)O 62a_100000709892_100009868816 [1,0,0,0,0,0|2,0,0]=3 121 B14R1.4250 CC(C)SCCc1cc(cc(c1)Cl)Cl 62a_100000210206_100000691793 [1,0,0,0,0,0|3,0,0]=4 122 B14R1.4250 CC(C)SCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100000210206 [1,0,0,0,0,0|3,0,0]=4 123 B14R1.4250 CC(C)SCCc1cc(cc(c1)F)F 62a_100000210206_100011754442 [1,0,0,0,0,0|3,0,0]=4 124 B14R1.4250 CC(C)SCCc1cc(cc(c1)F)F 62a_100011754442_100000210206 [1,0,0,0,0,0|3,0,0]=4 125 B14R1.4250 CC(O)CCNc1cc(cc(c1)O)O 34a_100000043371_100012276601 [1,0,0,0,0,0|3,0,0]=4 126 B14R1.4250 CC(O)CCSc1cc(cc(c1)O)O 62a_100012276601_100009868816 [1,0,0,0,0,0|3,0,0]=4 127 B14R1.4250 CC(O)CNCc1cc(cc(c1)O)O 207a_100000210904_100000043415 [1,0,0,0,0,0|3,0,0]=4 128 B14R1.4250 CC(O)CNCc1cc(cc(c1)O)O 2230a_100159270720_100011218427 [1,0,0,0,0,0|3,0,0]=4 129 B14R1.4250 CC(O)CNCc1cc(cc(c1)O)O 34a_100159270720_100011218427 [1,0,0,0,0,0|3,0,0]=4 130 B14R1.4250 C[C@@H](O)CNCc1cc(cc(c1)O)O 2230a_100159270720_100009817552 [1,0,0,0,0,0|3,0,0]=4 131 B14R1.4250 C[C@@H](O)CNCc1cc(cc(c1)O)O 34a_100159270720_100009817552 [1,0,0,0,0,0|3,0,0]=4 132 B14R1.4250 Cc1cc(cc(c1)C=NNC(C)C)O 4a_100000741168_100009853434 [1,0,0,0,0,0|2,0,1]=4 133 B14R1.4250 Cc1cc(cc(c1)CNCC(C)C)O 207a_100000210953_100009853434 [1,0,0,0,0,0|3,0,0]=4 134 B14R1.4250 Cc1cc(cc(c1)CNCC(C)C)O 270004a_100000210953_100009853434 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.4250 Cc1cc(cc(c1)NCCC(C)C)O 34a_100011995906_100000210312 [1,0,0,0,0,0|3,0,0]=4 136 B14R1.4250 Cc1cc(cc(c1)NCCC(C)C)O 7a_100011995906_100000210626 [1,0,0,0,0,0|3,0,0]=4 137 B14R1.4250 Cc1cc(cc(c1)NCOC(C)C)O 34a_100011995906_100000709892 [1,0,0,0,0,0|3,0,0]=4 138 B14R1.4250 Cc1cc(cc(c1)SCCC(C)C)O 62a_100000210312_100011999630 [1,0,0,0,0,0|3,0,0]=4 139 B14R1.4250 Cc1cc(cc(c1)SCOC(C)C)O 62a_100000709892_100011999630 [1,0,0,0,0,0|3,0,0]=4 140 B16R1.431 COc1cc(cc(c1)C(=O)CCC(C)C)O 1458a_100000083963_100000210312 [0,1,0,0,0,0|1,0,2]=4 141 B16R1.431 COc1cc(cc(c1)C(=O)NNC(C)C)O 22a_100000741168_100000083963 [0,1,0,0,0,0|1,0,2]=4 142 B16R1.431 COc1cc(cc(c1)[C@H](N)COC(C)C)F 34a_100016157442_100000210206 [0,1,0,0,0,0|3,0,0]=4 143 B16R1.6851 CC(C)N(C)CC(=O)c1cc(cc(c1)O)O 269982a_200000211004_100010006762 [0,1,0,0,0,0|0,0,2]=3 144 B16R1.6853 CC(C)NC(=O)C(O)c1cc(cc(c1)F)F 240690a_100138425928_100011218751 [0,1,0,0,0,0|2,0,1]=4 145 B16R1.6864 CC(=NNC(C)(C)C)c1cc(cc(c1)O)O 4a_100000725372_100000032396 [0,1,0,0,0,0|2,0,1]=4 146 B16R1.6864 CC(C)(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000715429_100010006762 [0,1,0,0,0,0|0,0,2]=3 147 B16R1.6864 CC(C)(C)NNC(=O)c1cc(cc(c1)O)O 22a_100000725372_100000690292 [0,1,0,0,0,0|1,0,2]=4 148 B16R1.6864 CC(C)(C)OCC(=O)c1cc(cc(c1)O)O 34a_100015890283_100010006762 [0,1,0,0,0,0|1,0,2]=4 149 B16R1.6864 CC(C)(C)SCC(=O)c1cc(cc(c1)O)O 62a_100000211941_100010006762 [0,1,0,0,0,0|1,0,2]=4 150 B16R1.6864 CC(C)(C)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000211941 [0,1,0,0,0,0|1,0,2]=4 151 B16R1.7445 C#CC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000707721_100010006762 [0,1,0,0,0,0|0,0,3]=4 152 B16R1.7445 C#CC(C)NCC(=O)c1cc(cc(c1)O)O 34a_100000707721_100010006762 [0,1,0,0,0,0|0,0,3]=4 153 B16R1.7445 CC(C#N)NCC(=O)c1cc(cc(c1)O)O 2230a_100000737613_100010006762 [0,1,0,0,0,0|0,0,3]=4 154 B16R1.7445 CC(CF)OCC(=O)c1cc(cc(c1)O)O 34a_100016041109_100010006762 [0,1,0,0,0,0|1,0,2]=4 155 B16R1.7445 CC(CN)OCC(=O)c1cc(cc(c1)O)O 34a_100000210904_100010006762 [0,1,0,0,0,0|1,0,2]=4 156 B16R1.7445 CC(CO)SCC(=O)c1cc(cc(c1)O)O 62a_100012180447_100010006762 [0,1,0,0,0,0|1,0,2]=4 157 B16R1.7445 CCC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000209981_100010006762 [0,1,0,0,0,0|0,0,2]=3 158 B16R1.7445 CCC(C)NN=C(C)c1cc(cc(c1)O)O 4a_100000718999_100000032396 [0,1,0,0,0,0|2,0,1]=4 159 B16R1.7445 CCC(C)NNC(=O)c1cc(cc(c1)O)O 22a_100000718999_100000690292 [0,1,0,0,0,0|1,0,2]=4 160 B16R1.7445 CCC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100000758301_100010006762 [0,1,0,0,0,0|1,0,2]=4 161 B16R1.7445 CCC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000758301 [0,1,0,0,0,0|1,0,2]=4 162 B16R1.7445 COC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100009879195_100010006762 [0,1,0,0,0,0|1,0,2]=4 163 B16R1.7445 COC(C)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100009879195 [0,1,0,0,0,0|1,0,2]=4 164 B16R1.7445 C[C@H](CO)NCC(=O)c1cc(cc(c1)O)O 2230a_100000737577_100010006762 [0,1,0,0,0,0|0,0,2]=3 165 B16R1.7445 C[C@H](CO)SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100016084084 [0,1,0,0,0,0|1,0,2]=4 166 B16R1.7445 C[C@H](CO)SCC(=O)c1cc(cc(c1)O)O 62a_100016084084_100010006762 [0,1,0,0,0,0|1,0,2]=4 167 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210312 [0,1,0,0,0,0|1,0,2]=4 168 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210312 [0,1,0,0,0,0|1,0,2]=4 169 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)Br)O 22a_100000741168_100009812877 [0,1,0,0,0,0|1,0,2]=4 170 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)Cl)O 22a_100000741168_100000074654 [0,1,0,0,0,0|1,0,2]=4 171 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000741168_100000212154 [0,1,0,0,0,0|1,0,2]=4 172 B16R1.52957 Cc1c(cc(cc1O)C(=O)CCC(C)C)O 1458a_100000031928_100000210312 [0,1,0,0,0,0|1,0,2]=4 173 B16R1.52957 Cc1c(cc(cc1O)C(=O)NNC(C)C)O 22a_100000741168_100000031928 [0,1,0,0,0,0|1,0,2]=4 174 B16R2.11358 CC(=NNC1CC1)c2cc(cc(c2)O)O 4a_100000701032_100000032396 [0,0,0,1,0,0|2,0,1]=4 175 B16R2.11358 O=C(CNC1CC1)c2cc(cc(c2)O)O 34a_100000212008_100010006762 [0,0,0,1,0,0|0,0,2]=3 176 B16R2.11358 O=C(CSC1CC1)c2cc(cc(c2)O)O 62a_100010006762_100000211595 [0,0,0,1,0,0|1,0,2]=4 177 B16R2.11358 O=C(NNC1CC1)c2cc(cc(c2)O)O 22a_100000701032_100000690292 [0,0,0,1,0,0|1,0,2]=4 178 B16R2.79341 CC1CC=C(CC1)c2cc(cc(c2)O)O 271570a_100010240233_100009868816 [0,0,0,1,0,0|2,0,1]=4 179 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210624 [0,0,0,0,1,0|1,0,2]=4 180 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210624 [0,0,0,0,1,0|1,0,2]=4 181 B14R1.4252 CC(C)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210624 [0,0,0,0,1,0|1,0,2]=4 182 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)Br 271570a_100015190218_100009814770 [0,0,0,0,1,0|3,0,0]=4 183 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)Cl 271570a_100015190218_100009814755 [0,0,0,0,1,0|3,0,0]=4 184 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)F 271570a_100015190218_100009814764 [0,0,0,0,1,0|3,0,0]=4 185 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)N 271570a_100015190218_100009814763 [0,0,0,0,1,0|3,0,0]=4 186 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Br)O 271570a_100015190218_100010068917 [0,0,0,0,1,0|2,0,0]=3 187 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Cl)Cl 271570a_100015190218_100000747138 [0,0,0,0,1,0|3,0,0]=4 188 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Cl)F 271570a_100015190218_100013859453 [0,0,0,0,1,0|3,0,0]=4 189 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Cl)N 271570a_100015190218_100010147676 [0,0,0,0,1,0|3,0,0]=4 190 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)Cl)O 271570a_100015190218_100010068924 [0,0,0,0,1,0|2,0,0]=3 191 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)F)F 271570a_100015190218_100011218498 [0,0,0,0,1,0|3,0,0]=4 192 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)F)N 271570a_100015190218_100011356972 [0,0,0,0,1,0|3,0,0]=4 193 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)F)O 271570a_100015190218_100000717995 [0,0,0,0,1,0|2,0,0]=3 194 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)N)N 271570a_100015190218_100011999608 [0,0,0,0,1,0|3,0,0]=4 195 B14R1.4252 CC(C)C[C@H](N)c1cc(cc(c1)O)O 271570a_100015190218_100009868816 [0,0,0,0,1,0|1,0,0]=2 196 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Br)O 240690a_100138425928_100011934545 [0,0,0,0,1,0|1,0,2]=4 197 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Br)O 527a_100138425928_100011934545 [0,0,0,0,1,0|1,0,2]=4 198 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Cl)O 240690a_100138425928_100011997059 [0,0,0,0,1,0|1,0,2]=4 199 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)Cl)O 527a_100138425928_100011997059 [0,0,0,0,1,0|1,0,2]=4 200 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 11a_100138425928_100012017291 [0,0,0,0,1,0|1,0,2]=4 201 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 240690a_100138425928_100012017291 [0,0,0,0,1,0|1,0,2]=4 202 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)F)O 527a_100138425928_100012017291 [0,0,0,0,1,0|1,0,2]=4 203 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)O)O 240690a_100138425928_100000690292 [0,0,0,0,1,0|0,0,2]=3 204 B14R1.4252 CC(C)NC(=O)c1cc(cc(c1)O)O 527a_100138425928_100000690292 [0,0,0,0,1,0|0,0,2]=3 205 B14R1.4252 CC(C)NC(C)c1cc(cc(c1)Cl)Cl 2230a_100020620772_100000210206 [0,0,0,0,1,0|3,0,0]=4 206 B14R1.4252 CC(C)NC(C)c1cc(cc(c1)Cl)Cl 34a_100020620772_100000210206 [0,0,0,0,1,0|3,0,0]=4 207 B14R1.4252 CC(C)N[C@@H](C)c1cc(cc(c1)Cl)F 2230a_100020639286_100000210206 [0,0,0,0,1,0|3,0,0]=4 208 B14R1.4252 CC(C)N[C@@H](C)c1cc(cc(c1)Cl)F 34a_100020639286_100000210206 [0,0,0,0,1,0|3,0,0]=4 209 B14R1.4252 CC(C)N[C@H](C)c1cc(cc(c1)F)F 2230a_100016987943_100000210206 [0,0,0,0,1,0|3,0,0]=4 210 B14R1.4252 CC(C)N[C@H](C)c1cc(cc(c1)F)F 34a_100016987943_100000210206 [0,0,0,0,1,0|3,0,0]=4 211 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100102631434_100010006762 [0,0,0,0,1,0|1,0,2]=4 212 B14R1.4252 CN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100102631434_100010006762 [0,0,0,0,1,0|1,0,2]=4 213 B14R1.4252 Cc1cc(cc(c1)C(=O)CC(C)C)O 1458a_100000094094_100000210624 [0,0,0,0,1,0|1,0,2]=4 214 B14R1.4252 Cc1cc(cc(c1)C(=O)NC(C)C)O 240690a_100138425928_100000094094 [0,0,0,0,1,0|1,0,2]=4 215 B14R1.4252 Cc1cc(cc(c1)C(=O)NC(C)C)O 527a_100138425928_100000094094 [0,0,0,0,1,0|1,0,2]=4 216 B14R1.4252 Cc1cc(cc(c1)C(C)NC(C)C)C 2230a_100000753145_100000210206 [0,0,0,0,1,0|3,0,0]=4 217 B14R1.4252 Cc1cc(cc(c1)C(C)NC(C)C)C 34a_100000753145_100000210206 [0,0,0,0,1,0|3,0,0]=4 218 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)C 271570a_100015190218_100011215608 [0,0,0,0,1,0|3,0,0]=4 219 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)Cl 271570a_100015190218_100010172791 [0,0,0,0,1,0|3,0,0]=4 220 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)F 271570a_100015190218_100011356977 [0,0,0,0,1,0|3,0,0]=4 221 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)N 271570a_100015190218_100000695972 [0,0,0,0,1,0|3,0,0]=4 222 B14R1.4252 Cc1cc(cc(c1)[C@@H](N)CC(C)C)O 271570a_100015190218_100011999630 [0,0,0,0,1,0|2,0,0]=3 223 B16R1.6858 CC(C)CCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000181311 [0,0,0,0,0,1|1,0,2]=4 224 B16R1.6858 CC(C)CCC(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100011261404 [0,0,0,0,0,1|3,0,0]=4 225 B16R1.6858 CC(C)CCC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100011261404 [0,0,0,0,0,1|2,0,0]=3 226 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100011261404 [0,0,0,0,0,1|3,0,0]=4 227 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)Br)O 62a_100011261404_100010068917 [0,0,0,0,0,1|3,0,0]=4 228 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100011261404 [0,0,0,0,0,1|3,0,0]=4 229 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)Cl)O 62a_100011261404_100010068924 [0,0,0,0,0,1|3,0,0]=4 230 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100011261404 [0,0,0,0,0,1|3,0,0]=4 231 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)F)O 62a_100011261404_100000688818 [0,0,0,0,0,1|3,0,0]=4 232 B16R1.6858 CC(C)CCC(C)Sc1cc(cc(c1)O)O 62a_100011261404_100009868816 [0,0,0,0,0,1|2,0,0]=3 233 B16R1.6858 CC(C)NNC(=O)Cc1cc(cc(c1)O)O 22a_100000741168_100000080560 [0,0,0,0,0,1|1,0,2]=4 234 B16R1.6858 CC(C)NNC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100000741168 [0,0,0,0,0,1|1,0,2]=4 235 B16R1.6858 CC(C)OCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000745533 [0,0,0,0,0,1|1,0,2]=4 236 B16R1.6858 CC(C)SCC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000241585 [0,0,0,0,0,1|1,0,2]=4 237 B16R1.6858 Cc1cc(cc(c1)NC(C)CCC(C)C)O 34a_100011995906_100011261404 [0,0,0,0,0,1|3,0,0]=4 238 B16R1.6858 Cc1cc(cc(c1)SC(C)CCC(C)C)O 62a_100011261404_100011999630 [0,0,0,0,0,1|3,0,0]=4 239 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)O)O 240690a_100000210545_100000690292 [0,0,0,0,0,1|1,0,2]=4 240 B16R1.6863 CC(C)CCNC(=O)c1cc(cc(c1)O)O 527a_100000210545_100000690292 [0,0,0,0,0,1|1,0,2]=4 241 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)O)O 2230a_100000210953_100010006762 [0,0,0,0,0,1|0,0,2]=3 242 B16R1.6863 CC(C)CNCC(=O)c1cc(cc(c1)O)O 34a_100000210953_100010006762 [0,0,0,0,0,1|0,0,2]=3 243 B16R1.6863 CC(C)CNNC(=O)c1cc(cc(c1)O)O 22a_100000696102_100000690292 [0,0,0,0,0,1|1,0,2]=4 244 B16R1.6863 CC(C)COCC(=O)c1cc(cc(c1)O)O 34a_100000210257_100010006762 [0,0,0,0,0,1|1,0,2]=4 245 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)O)O 62a_100000210624_100010006762 [0,0,0,0,0,1|1,0,2]=4 246 B16R1.6863 CC(C)CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210760 [0,0,0,0,0,1|1,0,2]=4 247 B16R1.6863 CC(O)CNCC(=O)c1cc(cc(c1)O)O 2230a_100000210904_100010006762 [0,0,0,0,0,1|1,0,2]=4 248 B16R1.6863 CC(O)CNCC(=O)c1cc(cc(c1)O)O 34a_100000210904_100010006762 [0,0,0,0,0,1|1,0,2]=4 249 B16R1.6863 Cc1cc(cc(c1)C(C)NCCC(C)C)O 269862a_100000210545_100009855872 [0,0,0,0,0,1|3,0,0]=4 250 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [2,0,0,0,0,0|0,0,0]=2 251 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [2,0,0,0,0,0|0,0,0]=2 252 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [2,0,0,0,0,0|1,0,0]=3 253 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [2,0,0,0,0,0|1,0,1]=4 254 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [2,0,0,0,0,0|1,0,1]=4 255 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 256 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 257 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 258 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 259 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [2,0,0,0,0,0|0,0,0]=2 260 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 261 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 262 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [2,0,0,0,0,0|1,0,0]=3 263 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [2,0,0,0,0,0|1,0,0]=3 264 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 265 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 266 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [2,0,0,0,0,0|2,0,0]=4 267 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 268 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 269 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [2,0,0,0,0,0|1,0,0]=3 270 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [2,0,0,0,0,0|2,0,0]=4 271 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [2,0,0,0,0,0|1,0,0]=3 272 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [2,0,0,0,0,0|2,0,0]=4 273 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [2,0,0,0,0,0|2,0,0]=4 274 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [2,0,0,0,0,0|1,0,0]=3 275 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [2,0,0,0,0,0|1,0,0]=3 276 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [2,0,0,0,0,0|1,0,0]=3 277 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [2,0,0,0,0,0|1,0,0]=3 278 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 279 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 280 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 281 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 282 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 283 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 284 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [2,0,0,0,0,0|1,0,1]=4 285 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [2,0,0,0,0,0|1,0,1]=4 286 B13R1.149 CC(C)CCNc1cccc(c1)O 34a_100000210217_100000210312 [2,0,0,0,0,0|2,0,0]=4 287 B13R1.149 CC(C)CCSc1cccc(c1)O 62a_100000210312_100000211634 [2,0,0,0,0,0|2,0,0]=4 288 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [2,0,0,0,0,0|2,0,0]=4 289 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [2,0,0,0,0,0|2,0,0]=4 290 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [2,0,0,0,0,0|2,0,0]=4 291 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [2,0,0,0,0,0|2,0,0]=4 292 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [2,0,0,0,0,0|2,0,0]=4 293 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [2,0,0,0,0,0|2,0,0]=4 294 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [2,0,0,0,0,0|2,0,0]=4 295 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [2,0,0,0,0,0|2,0,0]=4 296 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [2,0,0,0,0,0|2,0,0]=4 297 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [2,0,0,0,0,0|2,0,0]=4 298 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [2,0,0,0,0,0|2,0,0]=4 299 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000210206 [2,0,0,0,0,0|1,0,0]=3 300 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100138425928_100011740638 [2,0,0,0,0,0|1,0,0]=3 301 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100011207229_100000210206 [2,0,0,0,0,0|1,0,0]=3 302 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100138425928_100011740638 [2,0,0,0,0,0|1,0,0]=3 303 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000210206 [2,0,0,0,0,0|1,0,0]=3 304 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100138425928_100011713710 [2,0,0,0,0,0|1,0,0]=3 305 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000210206 [2,0,0,0,0,0|1,0,0]=3 306 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100138425928_100011713710 [2,0,0,0,0,0|1,0,0]=3 307 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100000205154_100000210206 [2,0,0,0,0,0|1,0,0]=3 308 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100138425928_100011217235 [2,0,0,0,0,0|1,0,0]=3 309 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100000205154_100000210206 [2,0,0,0,0,0|1,0,0]=3 310 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100138425928_100011217235 [2,0,0,0,0,0|1,0,0]=3 311 B13R1.149 CC(C)NCCc1cccc(c1)O 2230a_100000747277_100000210206 [2,0,0,0,0,0|0,0,0]=2 312 B13R1.149 CC(C)NCCc1cccc(c1)O 34a_100000747277_100000210206 [2,0,0,0,0,0|0,0,0]=2 313 B13R1.149 CC(C)NN=Cc1cccc(c1)O 4a_100000741168_100000188321 [2,0,0,0,0,0|1,0,1]=4 314 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100000212225_100011740638 [2,0,0,0,0,0|2,0,0]=4 315 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100011217444_100000210206 [2,0,0,0,0,0|2,0,0]=4 316 B13R1.149 CC(C)OCCc1cccc(c1)Br 7a_100011217444_100000210206 [2,0,0,0,0,0|2,0,0]=4 317 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000212225_100011713710 [2,0,0,0,0,0|2,0,0]=4 318 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000210206 [2,0,0,0,0,0|2,0,0]=4 319 B13R1.149 CC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210206 [2,0,0,0,0,0|2,0,0]=4 320 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000212225_100011217235 [2,0,0,0,0,0|2,0,0]=4 321 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000763591_100000210206 [2,0,0,0,0,0|2,0,0]=4 322 B13R1.149 CC(C)OCCc1cccc(c1)F 7a_100000763591_100000210206 [2,0,0,0,0,0|2,0,0]=4 323 B13R1.149 CC(C)OCCc1cccc(c1)N 34a_100011996697_100000210206 [2,0,0,0,0,0|2,0,0]=4 324 B13R1.149 CC(C)OCNc1cccc(c1)O 34a_100000210217_100000709892 [2,0,0,0,0,0|2,0,0]=4 325 B13R1.149 CC(C)OCSc1cccc(c1)O 62a_100000709892_100000211634 [2,0,0,0,0,0|2,0,0]=4 326 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100000210206_100011740638 [2,0,0,0,0,0|2,0,0]=4 327 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100011740638_100000210206 [2,0,0,0,0,0|2,0,0]=4 328 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100000210206_100011713710 [2,0,0,0,0,0|2,0,0]=4 329 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000210206 [2,0,0,0,0,0|2,0,0]=4 330 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100000210206_100011217235 [2,0,0,0,0,0|2,0,0]=4 331 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100011217235_100000210206 [2,0,0,0,0,0|2,0,0]=4 332 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [2,0,0,0,0,0|1,0,0]=3 333 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [2,0,0,0,0,0|1,0,0]=3 334 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [2,0,0,0,0,0|1,0,0]=3 335 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [2,0,0,0,0,0|1,0,0]=3 336 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100000212225_100011713685 [2,0,0,0,0,0|2,0,0]=4 337 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100011217157_100000210206 [2,0,0,0,0,0|2,0,0]=4 338 B13R1.149 Cc1cccc(c1)CCOC(C)C 7a_100011217157_100000210206 [2,0,0,0,0,0|2,0,0]=4 339 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100000210206_100011713685 [2,0,0,0,0,0|2,0,0]=4 340 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100011713685_100000210206 [2,0,0,0,0,0|2,0,0]=4 341 B13R1.149 Cc1cccc(n1)CCNC(C)C 2230a_100011824523_100000210206 [2,0,0,0,0,0|2,0,0]=4 342 B13R1.149 Cc1cccc(n1)CCNC(C)C 34a_100011824523_100000210206 [2,0,0,0,0,0|2,0,0]=4 343 B13R1.55 CCCCNc1cc(cc(c1)O)O 34a_100000043371_100000210210 [2,0,0,0,0,0|2,0,0]=4 344 B13R1.55 CCCCSc1cc(cc(c1)O)O 62a_100000210211_100009868816 [2,0,0,0,0,0|2,0,0]=4 345 B13R1.55 CCCNCc1cc(cc(c1)O)O 207a_100020643023_100000043415 [2,0,0,0,0,0|2,0,0]=4 346 B13R1.55 CCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210303 [2,0,0,0,0,0|2,0,0]=4 347 B13R1.55 CCCNCc1cc(cc(c1)O)O 34a_100159270720_100000210303 [2,0,0,0,0,0|2,0,0]=4 348 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210202 [2,0,0,0,0,0|2,0,0]=4 349 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100015525214_100000691793 [2,0,0,0,0,0|2,0,0]=4 350 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210202 [2,0,0,0,0,0|2,0,0]=4 351 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100000748410_100000210202 [2,0,0,0,0,0|2,0,0]=4 352 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100015525214_100011754442 [2,0,0,0,0,0|2,0,0]=4 353 B13R1.55 CCNCCc1cc(cc(c1)F)F 34a_100000748410_100000210202 [2,0,0,0,0,0|2,0,0]=4 354 B13R1.55 CCNN=Cc1cc(cc(c1)O)O 4a_100000756455_100000043415 [2,0,0,0,0,0|1,0,1]=4 355 B13R1.55 CCOCSc1cc(cc(c1)O)O 62a_100000739092_100009868816 [2,0,0,0,0,0|2,0,0]=4 356 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 240690a_100015525214_100000690292 [2,0,0,0,0,0|0,0,2]=4 357 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 527a_100015525214_100000690292 [2,0,0,0,0,0|0,0,2]=4 358 B13R1.450 CCNC(C)c1cc(cc(c1)O)C 269862a_100015525214_100009855872 [2,0,0,0,0,0|2,0,0]=4 359 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [2,0,0,0,0,0|0,0,2]=4 360 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [2,0,0,0,0,0|0,0,2]=4 361 B15R1.65 COc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000211451 [1,1,0,0,0,0|0,0,2]=4 362 B15R1.65 COc1cccc(c1)C(N)COC(C)C 34a_100020589383_100000210206 [1,1,0,0,0,0|2,0,0]=4 363 B15R1.133 C#CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_200000035995 [1,1,0,0,0,0|0,0,1]=3 364 B15R1.133 CC(C#N)NCC(O)c1cccc(c1)O 2230a_100020657549_100000184139 [1,1,0,0,0,0|0,0,1]=3 365 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 2230a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 366 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 34a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 367 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210414 [1,1,0,0,0,0|1,0,1]=4 368 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100000210414 [1,1,0,0,0,0|1,0,1]=4 369 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000758301 [1,1,0,0,0,0|0,0,0]=2 370 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100011215416 [1,1,0,0,0,0|0,0,0]=2 371 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 2708a_100102657272_100020657549 [1,1,0,0,0,0|1,0,1]=4 372 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 273464a_100102657272_100020657549 [1,1,0,0,0,0|1,0,1]=4 373 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_100020657549_100102657272 [1,1,0,0,0,0|1,0,1]=4 374 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_106832991638_100020657549 [1,1,0,0,0,0|1,0,1]=4 375 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 376 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 527a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 377 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 2230a_100025717460_100000210760 [1,1,0,0,0,0|2,0,0]=4 378 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 270004a_100025717460_100000210432 [1,1,0,0,0,0|2,0,0]=4 379 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 34a_100025717460_100000210624 [1,1,0,0,0,0|2,0,0]=4 380 B15R1.889 CC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100103153847 [1,1,0,0,0,0|1,0,1]=4 381 B15R1.889 CC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210206 [1,1,0,0,0,0|0,0,0]=2 382 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100138425928_100000761251 [1,1,0,0,0,0|1,0,0]=3 383 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100138425928_100000761251 [1,1,0,0,0,0|1,0,0]=3 384 B15R1.889 CC(C)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100000212225_100000761251 [1,1,0,0,0,0|2,0,0]=4 385 B15R1.889 CC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210206_100000761251 [1,1,0,0,0,0|2,0,0]=4 386 B15R1.889 CC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210206 [1,1,0,0,0,0|2,0,0]=4 387 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)Br 2230a_100000749542_100000210206 [1,1,0,0,0,0|2,0,0]=4 388 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_100000210206 [1,1,0,0,0,0|2,0,0]=4 389 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)F 2230a_100000757675_100000210206 [1,1,0,0,0,0|2,0,0]=4 390 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)F 34a_100000757675_100000210206 [1,1,0,0,0,0|2,0,0]=4 391 B15R1.8271 CC(C)NC(=O)C(O)c1cccc(c1)Cl 240690a_100138425928_100011216955 [1,1,0,0,0,0|1,0,1]=4 392 B15R1.8271 CC(C)NC(=O)C(O)c1cccc(c1)F 240690a_100138425928_100011434943 [1,1,0,0,0,0|1,0,1]=4 393 B15R1.8271 Cc1cccc(c1)C(O)C(=O)NC(C)C 240690a_100138425928_100011434945 [1,1,0,0,0,0|1,0,1]=4 394 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 240690a_100009815823_100015343762 [1,1,0,0,0,0|1,0,1]=4 395 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 527a_100009815823_100103153847 [1,1,0,0,0,0|1,0,1]=4 396 B15R1.8272 CC(C)C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210206 [1,1,0,0,0,0|2,0,0]=4 397 B15R1.8272 CC(C)N(C)CC(=O)c1cccc(c1)O 269982a_200000211004_100009813753 [1,1,0,0,0,0|0,0,2]=4 398 B15R1.8272 CC(C)N(C)CC(O)c1cccc(c1)Br 2230a_200000733937_100000210206 [1,1,0,0,0,0|1,0,0]=3 399 B15R1.8272 CC(C)N(C)CC(O)c1cccc(c1)Br 269982a_200000733937_100000210206 [1,1,0,0,0,0|1,0,0]=3 400 B15R1.8272 CC(C)N(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_100000210206 [1,1,0,0,0,0|0,0,0]=2 401 B15R1.8272 CC(C)N(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100000210206 [1,1,0,0,0,0|0,0,0]=2 402 B15R1.8277 CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210625 [1,1,0,0,0,0|0,0,0]=2 403 B15R1.8277 Oc1cccc(c1)C(O)CNC(F)(F)F 34a_100020657549_200103152311 [1,1,0,0,0,0|2,0,0]=4 404 B15R1.8420 CC(C)NCC(=O)c1cc(ccc1O)O 34a_100138425928_100009814097 [1,1,0,0,0,0|0,0,2]=4 405 B15R1.748 CCN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100000225621_100010006762 [1,1,0,0,0,0|0,0,2]=4 406 B15R1.748 CCN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100000225621_100010006762 [1,1,0,0,0,0|0,0,2]=4 407 B15R1.1386 O=C(CNCCF)c1cc(cc(c1)O)O 34a_100000724931_100010006762 [1,1,0,0,0,0|0,0,2]=4 408 B15R1.1386 O=C(CNCCO)c1cc(cc(c1)O)O 2230a_100016997473_100010006762 [1,1,0,0,0,0|0,0,2]=4 409 B15R1.1386 O=C(CNCCO)c1cc(cc(c1)O)O 34a_100016990907_100010006762 [1,1,0,0,0,0|0,0,2]=4 410 B15R1.436 CC(C)CCNc1cc(cc(c1)CO)O 2230a_200000124675_100000210312 [1,1,0,0,0,0|2,0,0]=4 411 B15R1.436 CC(C)CCNc1cc(cc(c1)CO)O 34a_200000124675_100000210312 [1,1,0,0,0,0|2,0,0]=4 412 B15R1.436 CC(C)OCNc1cc(cc(c1)CO)O 2230a_200000124675_100000709892 [1,1,0,0,0,0|2,0,0]=4 413 B15R1.436 CC(C)OCNc1cc(cc(c1)CO)O 34a_200000124675_100000709892 [1,1,0,0,0,0|2,0,0]=4 414 B15R1.436 COc1cc(cc(c1)C=NNC(C)C)O 4a_100000741168_100009856911 [1,1,0,0,0,0|1,0,1]=4 415 B15R1.436 COc1cc(cc(c1)CNCC(C)C)O 207a_100000210953_100009856911 [1,1,0,0,0,0|2,0,0]=4 416 B15R1.436 COc1cc(cc(c1)CNCC(C)C)O 270004a_100000210953_100009856911 [1,1,0,0,0,0|2,0,0]=4 417 B15R1.436 COc1cc(cc(c1)NCCC(C)C)O 34a_200000692186_100000210312 [1,1,0,0,0,0|2,0,0]=4 418 B15R1.436 COc1cc(cc(c1)NCOC(C)C)O 34a_200000692186_100000709892 [1,1,0,0,0,0|2,0,0]=4 419 B15R1.436 COc1cc(cc(c1)SCCC(C)C)O 62a_100000210312_100010068927 [1,1,0,0,0,0|2,0,0]=4 420 B15R1.436 COc1cc(cc(c1)SCOC(C)C)O 62a_100000709892_100010068927 [1,1,0,0,0,0|2,0,0]=4 421 B15R1.931 CC(CO)CNCc1cc(cc(c1)O)O 207a_100000744482_100000043415 [1,1,0,0,0,0|2,0,0]=4 422 B15R1.931 CC(CO)NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100012180447 [1,1,0,0,0,0|2,0,0]=4 423 B15R1.931 CC(CO)NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100012180447 [1,1,0,0,0,0|2,0,0]=4 424 B15R1.931 CC(CO)NCCc1cc(cc(c1)F)F 2230a_100000748410_100012180447 [1,1,0,0,0,0|2,0,0]=4 425 B15R1.931 CC(CO)NCCc1cc(cc(c1)F)F 34a_100000748410_100012180447 [1,1,0,0,0,0|2,0,0]=4 426 B15R1.931 CCC(C)CNCc1cc(cc(c1)O)O 207a_100020588543_100000043415 [1,1,0,0,0,0|2,0,0]=4 427 B15R1.931 CCC(C)CNCc1cc(cc(c1)O)O 2230a_100159270720_100000748023 [1,1,0,0,0,0|2,0,0]=4 428 B15R1.931 CCC(C)CNCc1cc(cc(c1)O)O 34a_100159270720_100000748023 [1,1,0,0,0,0|2,0,0]=4 429 B15R1.931 CCC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000209981_100000691793 [1,1,0,0,0,0|2,0,0]=4 430 B15R1.931 CCC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000758301 [1,1,0,0,0,0|2,0,0]=4 431 B15R1.931 CCC(C)NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100011215416 [1,1,0,0,0,0|2,0,0]=4 432 B15R1.931 CCC(C)NCCc1cc(cc(c1)F)F 2230a_100000209981_100011754442 [1,1,0,0,0,0|2,0,0]=4 433 B15R1.931 CCC(C)NCCc1cc(cc(c1)F)F 2230a_100000748410_100000758301 [1,1,0,0,0,0|2,0,0]=4 434 B15R1.931 CCC(C)NCCc1cc(cc(c1)F)F 34a_100000748410_100011215416 [1,1,0,0,0,0|2,0,0]=4 435 B15R1.931 CCC(C)NN=Cc1cc(cc(c1)O)O 4a_100000718999_100000043415 [1,1,0,0,0,0|1,0,1]=4 436 B15R1.931 CC[C@H](C)CNCc1cc(cc(c1)O)O 2230a_100159270720_100009816398 [1,1,0,0,0,0|2,0,0]=4 437 B15R1.931 CC[C@H](C)CNCc1cc(cc(c1)O)O 34a_100159270720_100009816398 [1,1,0,0,0,0|2,0,0]=4 438 B15R1.931 CO[C@H](C)CNCc1cc(cc(c1)O)O 207a_100020591295_100000043415 [1,1,0,0,0,0|2,0,0]=4 439 B15R1.931 C[C@@H](CO)CNCc1cc(cc(c1)O)O 2230a_100159270720_100000059175 [1,1,0,0,0,0|2,0,0]=4 440 B15R1.931 C[C@@H](CO)CNCc1cc(cc(c1)O)O 34a_100159270720_100000059175 [1,1,0,0,0,0|2,0,0]=4 441 B15R1.931 C[C@H](CO)NCCc1cc(cc(c1)Cl)Cl 2230a_100000737577_100000691793 [1,1,0,0,0,0|2,0,0]=4 442 B15R1.931 C[C@H](CO)NCCc1cc(cc(c1)F)F 2230a_100000737577_100011754442 [1,1,0,0,0,0|2,0,0]=4 443 B15R1.5446 CC(C)CC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000731052 [1,1,0,0,0,0|2,0,0]=4 444 B15R1.5446 CC(C)CC(C)Sc1cc(cc(c1)O)O 62a_100000731052_100009868816 [1,1,0,0,0,0|2,0,0]=4 445 B15R1.5446 CC(C)NC(=O)Cc1cc(cc(c1)O)O 240690a_100138425928_100000080560 [1,1,0,0,0,0|0,0,1]=3 446 B15R1.5446 CC(C)NC(=O)Cc1cc(cc(c1)O)O 527a_100138425928_100000080560 [1,1,0,0,0,0|0,0,1]=3 447 B15R1.5446 CC(C)NC(=O)Nc1cc(cc(c1)O)O 2430a_100000043371_100138425928 [1,1,0,0,0,0|1,0,1]=4 448 B15R1.5446 CC(C)NC(=O)Nc1cc(cc(c1)O)O 512a_100000043371_100138425928 [1,1,0,0,0,0|1,0,1]=4 449 B15R1.5449 CC(C)(C)CCNc1cc(cc(c1)O)O 34a_100000043371_100000755188 [1,1,0,0,0,0|2,0,0]=4 450 B15R1.5449 CC(C)(C)CCSc1cc(cc(c1)O)O 62a_100000755188_100009868816 [1,1,0,0,0,0|2,0,0]=4 451 B15R1.5449 CC(C)(C)CNCc1cc(cc(c1)O)O 207a_100000743828_100000043415 [1,1,0,0,0,0|2,0,0]=4 452 B15R1.5449 CC(C)(C)CNCc1cc(cc(c1)O)O 34a_100159270720_100011219605 [1,1,0,0,0,0|2,0,0]=4 453 B15R1.5449 CC(C)(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000715429_100000691793 [1,1,0,0,0,0|2,0,0]=4 454 B15R1.5449 CC(C)(C)NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210625 [1,1,0,0,0,0|2,0,0]=4 455 B15R1.5449 CC(C)(C)NCCc1cc(cc(c1)F)F 2230a_100000715429_100011754442 [1,1,0,0,0,0|2,0,0]=4 456 B15R1.5449 CC(C)(C)NCCc1cc(cc(c1)F)F 34a_100000748410_100000210625 [1,1,0,0,0,0|2,0,0]=4 457 B15R1.5449 CC(C)(C)NN=Cc1cc(cc(c1)O)O 4a_100000725372_100000043415 [1,1,0,0,0,0|1,0,1]=4 458 B15R1.5449 CC(C)(F)CNCc1cc(cc(c1)O)O 207a_100020643315_100000043415 [1,1,0,0,0,0|2,0,0]=4 459 B15R1.5449 CC(C)(F)CNCc1cc(cc(c1)O)O 34a_100159270720_100011997219 [1,1,0,0,0,0|2,0,0]=4 460 B15R1.5449 CC(C)(O)CCNc1cc(cc(c1)O)O 34a_100000043371_100000702414 [1,1,0,0,0,0|2,0,0]=4 461 B15R1.5449 CC(C)(O)CCSc1cc(cc(c1)O)O 62a_100000702414_100009868816 [1,1,0,0,0,0|2,0,0]=4 462 B15R1.5449 CC(C)(O)CNCc1cc(cc(c1)O)O 207a_100000751335_100000043415 [1,1,0,0,0,0|2,0,0]=4 463 B15R1.5449 CC(C)(O)CNCc1cc(cc(c1)O)O 34a_100159270720_100000764493 [1,1,0,0,0,0|2,0,0]=4 464 B15R1.5455 CC(C)C(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000753385 [1,1,0,0,0,0|2,0,0]=4 465 B15R1.5455 CC(C)C(=O)CSc1cc(cc(c1)O)O 62a_100000753385_100009868816 [1,1,0,0,0,0|2,0,0]=4 466 B15R1.5455 CC(C)C(=O)NCc1cc(cc(c1)O)O 240690a_100159270720_100000210198 [1,1,0,0,0,0|2,0,0]=4 467 B15R1.5455 CC(C)C(=O)NCc1cc(cc(c1)O)O 527a_100159270720_100000210198 [1,1,0,0,0,0|2,0,0]=4 468 B15R1.5455 CC(C)C(C)NCc1cc(cc(c1)O)O 207a_100000211541_100000043415 [1,1,0,0,0,0|2,0,0]=4 469 B15R1.5455 CC(C)N(C)CCc1cc(cc(c1)Cl)Cl 269982a_200000211004_100000691793 [1,1,0,0,0,0|2,0,0]=4 470 B15R1.5455 CC(C)N(C)CCc1cc(cc(c1)F)F 269982a_200000211004_100011754442 [1,1,0,0,0,0|2,0,0]=4 471 B15R1.5455 CN(C)C(=O)CCc1cc(cc(c1)O)O 271570a_200010232142_100009868816 [1,1,0,0,0,0|2,0,0]=4 472 B15R1.28956 CC(C)CCSc1cc(c(c(c1)O)O)O 62a_100000210312_100010658518 [1,1,0,0,0,0|2,0,0]=4 473 B15R1.28956 CC(C)NN=Cc1cc(c(c(c1)O)O)O 4a_100000741168_100000042491 [1,1,0,0,0,0|1,0,1]=4 474 B15R1.28956 CC(C)OCSc1cc(c(c(c1)O)O)O 62a_100000709892_100010658518 [1,1,0,0,0,0|2,0,0]=4 475 B15R1.381 CC(C)C[C@H](N)c1cc(cc(c1)C#N)O 271570a_100015190218_100012180112 [0,1,0,0,1,0|2,0,0]=4 476 B15R1.381 CC(C)C[C@H](N)c1cc(cc(c1)C=O)O 271570a_100015190218_100010176088 [0,1,0,0,1,0|1,0,1]=4 477 B15R1.381 CC(C)C[C@H](N)c1cc(cc(c1)CO)Br 271570a_100015190218_100009814756 [0,1,0,0,1,0|2,0,0]=4 478 B15R1.381 CC(C)C[C@H](N)c1cc(cc(c1)CO)F 271570a_100015190218_100000766897 [0,1,0,0,1,0|2,0,0]=4 479 B15R1.381 COc1cc(cc(c1)C(=O)CC(C)C)O 1458a_100000083963_100000210624 [0,1,0,0,1,0|0,0,2]=4 480 B15R1.381 COc1cc(cc(c1)C(=O)NC(C)C)O 240690a_100138425928_100000083963 [0,1,0,0,1,0|0,0,2]=4 481 B15R1.381 COc1cc(cc(c1)C(=O)NC(C)C)O 527a_100138425928_100000083963 [0,1,0,0,1,0|0,0,2]=4 482 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)Br 271570a_100015190218_100010141301 [0,1,0,0,1,0|2,0,0]=4 483 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)C 271570a_100015190218_100010187550 [0,1,0,0,1,0|2,0,0]=4 484 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)Cl 271570a_100015190218_100010147680 [0,1,0,0,1,0|2,0,0]=4 485 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)F 271570a_100015190218_100011934182 [0,1,0,0,1,0|2,0,0]=4 486 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)N 271570a_100015190218_100000750983 [0,1,0,0,1,0|2,0,0]=4 487 B15R1.381 COc1cc(cc(c1)[C@@H](N)CC(C)C)O 271570a_100015190218_100010068927 [0,1,0,0,1,0|1,0,0]=3 488 B15R1.381 Cc1cc(cc(c1)[C@@H](N)CC(C)C)CO 271570a_100015190218_100000720511 [0,1,0,0,1,0|2,0,0]=4 489 B15R1.3122 CC(C)NC(CO)c1cc(cc(c1)F)F 2230a_100012004969_100000210206 [0,1,0,0,1,0|2,0,0]=4 490 B15R1.3122 CC(C)NC(CO)c1cc(cc(c1)F)F 34a_100012004969_100000210206 [0,1,0,0,1,0|2,0,0]=4 491 B15R1.3122 CC(C)N[C@H](CO)c1cc(cc(c1)Br)F 2230a_100138412358_100000210206 [0,1,0,0,1,0|2,0,0]=4 492 B15R1.3122 CC(C)N[C@H](CO)c1cc(cc(c1)Br)F 34a_100138412358_100000210206 [0,1,0,0,1,0|2,0,0]=4 493 B15R1.3555 Cc1cc(cc(c1C)[C@@H](N)CC(C)C)O 271570a_100015190218_100010068915 [0,1,0,0,1,0|2,0,0]=4 494 B15R1.5451 CC(C)(C)NC(=O)c1cc(cc(c1)O)O 240690a_100000715429_100000690292 [0,1,0,0,1,0|0,0,2]=4 495 B15R1.5451 CC(C)(C)NC(=O)c1cc(cc(c1)O)O 527a_100000715429_100000690292 [0,1,0,0,1,0|0,0,2]=4 496 B15R1.5458 CC(C)N(C)C(=O)c1cc(cc(c1)O)O 240690a_200000211004_100000690292 [0,1,0,0,1,0|0,0,2]=4 497 B15R1.5458 CC(C)N(C)C(=O)c1cc(cc(c1)O)O 527a_200000211004_100000690292 [0,1,0,0,1,0|0,0,2]=4 498 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210624 [0,1,0,0,1,0|0,0,2]=4 499 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210624 [0,1,0,0,1,0|0,0,2]=4 500 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)F)O 271570a_100015190218_100000709865 [0,1,0,0,1,0|2,0,0]=4 501 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)N)O 271570a_100015190218_100015475841 [0,1,0,0,1,0|2,0,0]=4 502 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)O)Br)O 240690a_100138425928_100009812877 [0,1,0,0,1,0|0,0,2]=4 503 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100138425928_100000074654 [0,1,0,0,1,0|0,0,2]=4 504 B15R1.28954 Cc1c(cc(cc1O)C(=O)CC(C)C)O 1458a_100000031928_100000210624 [0,1,0,0,1,0|0,0,2]=4 505 B15R1.28954 Cc1c(cc(cc1O)C(=O)NC(C)C)O 240690a_100138425928_100000031928 [0,1,0,0,1,0|0,0,2]=4 506 B15R1.28954 Cc1c(cc(cc1O)C(=O)NC(C)C)O 527a_100138425928_100000031928 [0,1,0,0,1,0|0,0,2]=4 507 B15R1.28954 Cc1cc(cc(c1N)O)[C@@H](N)CC(C)C 271570a_100015190218_100010371313 [0,1,0,0,1,0|2,0,0]=4 508 B17R1.8180 CC(C)NC(=O)C(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000195394 [0,1,0,0,0,1|1,0,1]=4 509 B17R1.8180 CC(C)NC(=O)C(C)Sc1cc(cc(c1)O)O 62a_100000195394_100009868816 [0,1,0,0,0,1|1,0,1]=4 510 B17R1.14750 CC(C)CCC(C)Nc1cc(cc(c1)CO)O 2230a_200000124675_100011261404 [0,1,0,0,0,1|2,0,0]=4 511 B17R1.14750 CC(C)CCC(C)Nc1cc(cc(c1)CO)O 34a_200000124675_100011261404 [0,1,0,0,0,1|2,0,0]=4 512 B17R1.14750 COc1cc(cc(c1)NC(C)CCC(C)C)O 34a_200000692186_100011261404 [0,1,0,0,0,1|2,0,0]=4 513 B17R1.14750 COc1cc(cc(c1)SC(C)CCC(C)C)O 62a_100011261404_100010068927 [0,1,0,0,0,1|2,0,0]=4 514 B17R1.61678 CC(C)N(C)CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100000743827 [0,1,0,0,0,1|0,0,2]=4 515 B17R1.61702 CC(C)CCC(C)(C)Nc1cc(cc(c1)O)O 34a_100000043371_200000037585 [0,1,0,0,0,1|2,0,0]=4 516 B17R1.61702 CC(C)CCC(C)(C)Sc1cc(cc(c1)O)O 62a_200000037585_100009868816 [0,1,0,0,0,1|2,0,0]=4 517 B17R1.92984 CC(C)CCC(C)Sc1cc(c(c(c1)O)O)O 62a_100011261404_100010658518 [0,1,0,0,0,1|2,0,0]=4 518 B17R1.8177 CC(C)CN(C)CC(=O)c1cc(cc(c1)O)O 2230a_100000747067_100010006762 [0,1,0,0,0,1|0,0,2]=4 519 B17R1.8177 CC(C)CN(C)CC(=O)c1cc(cc(c1)O)O 269982a_100000747067_100010006762 [0,1,0,0,0,1|0,0,2]=4 520 B17R1.8186 CC(C)C(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000211541_100010006762 [0,1,0,0,0,1|0,0,2]=4 521 B17R1.24352 CC(CO)CNCC(=O)c1cc(cc(c1)O)O 34a_100000744482_100010006762 [0,1,0,0,0,1|0,0,2]=4 522 B17R1.24352 CCC(C)CNCC(=O)c1cc(cc(c1)O)O 2230a_100020588543_100010006762 [0,1,0,0,0,1|0,0,2]=4 523 B17R1.24352 CO[C@H](C)CNCC(=O)c1cc(cc(c1)O)O 2230a_100020591295_100010006762 [0,1,0,0,0,1|0,0,2]=4 524 B17R1.61717 CC(C)(C)CNCC(=O)c1cc(cc(c1)O)O 2230a_100000743828_100010006762 [0,1,0,0,0,1|0,0,2]=4 525 B17R1.61717 CC(C)(F)CNCC(=O)c1cc(cc(c1)O)O 2230a_100020643315_100010006762 [0,1,0,0,0,1|0,0,2]=4 526 B17R1.61717 CC(C)(O)CNCC(=O)c1cc(cc(c1)O)O 2230a_100000751335_100010006762 [0,1,0,0,0,1|0,0,2]=4 527 B17R1.686 CCN(CC(=O)c1cc(cc(c1)O)O)C(C)C 2230a_100000223864_100010006762 [0,2,0,0,0,0|0,0,2]=4 528 B17R1.686 CCN(CC(=O)c1cc(cc(c1)O)O)C(C)C 269982a_100000223864_100010006762 [0,2,0,0,0,0|0,0,2]=4 529 B17R1.8179 CN(CC(=O)c1cc(cc(c1)O)O)C(C)(C)C 269982a_100011215553_100010006762 [0,2,0,0,0,0|0,0,2]=4 530 B17R1.24196 CC(CO)N(C)CC(=O)c1cc(cc(c1)O)O 2230a_100000693034_100010006762 [0,2,0,0,0,0|0,0,2]=4 531 B17R1.24196 CC(CO)N(C)CC(=O)c1cc(cc(c1)O)O 269982a_100000693034_100010006762 [0,2,0,0,0,0|0,0,2]=4 532 B17R1.24196 CCC(C)N(C)CC(=O)c1cc(cc(c1)O)O 2230a_100000741768_100010006762 [0,2,0,0,0,0|0,0,2]=4 533 B17R1.24196 CCC(C)N(C)CC(=O)c1cc(cc(c1)O)O 269982a_100000741768_100010006762 [0,2,0,0,0,0|0,0,2]=4 534 B17R1.13307 C#CC(C)(C)NCC(=O)c1cc(cc(c1)O)O 34a_100000054563_100010006762 [0,2,0,0,0,0|0,0,2]=4 535 B17R1.13307 CC(C)(CO)NCC(=O)c1cc(cc(c1)O)O 2230a_100000210608_100010006762 [0,2,0,0,0,0|0,0,2]=4 536 B17R1.13307 CCC(C)(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000211385_100010006762 [0,2,0,0,0,0|0,0,2]=4 537 B17R1.6620 CCCC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000741246_100010006762 [0,2,0,0,0,0|0,0,2]=4 538 B17R1.6620 COC[C@@H](C)NCC(=O)c1cc(cc(c1)O)O 2230a_100000764878_100010006762 [0,2,0,0,0,0|0,0,2]=4 539 B17R1.6620 C[C@@H](CC#N)NCC(=O)c1cc(cc(c1)O)O 2230a_100016994482_100010006762 [0,2,0,0,0,0|0,0,2]=4 540 B17R1.6620 C[C@H](CCO)NCC(=O)c1cc(cc(c1)O)O 2230a_100000706166_100010006762 [0,2,0,0,0,0|0,0,2]=4 541 B17R1.6620 C[C@H](CCO)NCC(=O)c1cc(cc(c1)O)O 34a_100000706166_100010006762 [0,2,0,0,0,0|0,0,2]=4 542 B17R1.19485 CCC(CC)NCC(=O)c1cc(cc(c1)O)O 2230a_100000199018_100010006762 [0,2,0,0,0,0|0,0,2]=4 543 B17R1.19485 CC[C@@H](CO)NCC(=O)c1cc(cc(c1)O)O 2230a_100000709445_100010006762 [0,2,0,0,0,0|0,0,2]=4 544 B17R1.19485 O=C(CNC(CO)CO)c1cc(cc(c1)O)O 2230a_100000759517_100010006762 [0,2,0,0,0,0|0,0,2]=4 545 B15R2.7152 O=C(CNC1CC1)c2cccc(c2)O 34a_100000212008_100009813753 [1,0,0,1,0,0|0,0,2]=4 546 B15R2.7152 Oc1cccc(c1)C(O)CNC2CC2 34a_100020657549_100000211595 [1,0,0,1,0,0|0,0,0]=2 547 B15R2.282 Clc1cc(cc(c1)CCNC2CC2)Cl 34a_100000212008_100000691793 [1,0,0,1,0,0|2,0,0]=4 548 B15R2.282 Clc1cc(cc(c1)CCNC2CC2)Cl 34a_100000746052_100000211595 [1,0,0,1,0,0|2,0,0]=4 549 B15R2.282 Fc1cc(cc(c1)CCNC2CC2)F 34a_100000212008_100011754442 [1,0,0,1,0,0|2,0,0]=4 550 B15R2.282 Fc1cc(cc(c1)CCNC2CC2)F 34a_100000748410_100000211595 [1,0,0,1,0,0|2,0,0]=4 551 B15R2.282 Oc1cc(cc(c1)C=NNC2CC2)O 4a_100000701032_100000043415 [1,0,0,1,0,0|1,0,1]=4 552 B15R2.282 Oc1cc(cc(c1)CNCC2CC2)O 207a_100000735609_100000043415 [1,0,0,1,0,0|2,0,0]=4 553 B15R2.282 Oc1cc(cc(c1)CNCC2CC2)O 2230a_100159270720_100000742324 [1,0,0,1,0,0|2,0,0]=4 554 B15R2.282 Oc1cc(cc(c1)CNCC2CC2)O 269862a_100159270720_100000741477 [1,0,0,1,0,0|2,0,0]=4 555 B15R2.282 Oc1cc(cc(c1)CNCC2CC2)O 34a_100159270720_100000742324 [1,0,0,1,0,0|2,0,0]=4 556 B15R2.282 Oc1cc(cc(c1)NCCC2CC2)O 34a_100000043371_100000694398 [1,0,0,1,0,0|2,0,0]=4 557 B15R2.282 Oc1cc(cc(c1)SCCC2CC2)O 62a_100000764125_100009868816 [1,0,0,1,0,0|2,0,0]=4 558 B17R2.347286 CC1CCC(CC1)Nc2cc(cc(c2)O)O 34a_100000043371_200011216234 [0,0,0,1,0,1|2,0,0]=4 559 B17R2.18562 O=C(CNCC1CC1)c2cc(cc(c2)O)O 2230a_100000735609_100010006762 [0,0,0,1,0,1|0,0,2]=4 560 B17R2.18562 O=C(CNCC1CC1)c2cc(cc(c2)O)O 34a_100000735609_100010006762 [0,0,0,1,0,1|0,0,2]=4 561 B17R2.146119 CC1CN(C1)CC(=O)c2cc(cc(c2)O)O 2230a_100000702820_100010006762 [0,0,0,1,0,1|0,0,2]=4 562 B17R2.146119 CC1CN(C1)CC(=O)c2cc(cc(c2)O)O 269982a_100000702820_100010006762 [0,0,0,1,0,1|0,0,2]=4 563 B17R2.146119 CC1CN(C1)CC(=O)c2cc(cc(c2)O)O 34a_100000702820_100010006762 [0,0,0,1,0,1|0,0,2]=4 564 B17R2.146151 CN(CC(=O)c1cc(cc(c1)O)O)C2CC2 2230a_100000226674_100010006762 [0,1,0,1,0,0|0,0,2]=4 565 B17R2.146151 CN(CC(=O)c1cc(cc(c1)O)O)C2CC2 269982a_100000226674_100010006762 [0,1,0,1,0,0|0,0,2]=4 566 B17R2.923680 CC1CCN1CC(=O)c2cc(cc(c2)O)O 269982a_100000755817_100010006762 [0,1,0,1,0,0|0,0,2]=4 567 B17R2.923680 CC1CCN1CC(=O)c2cc(cc(c2)O)O 34a_100000755817_100010006762 [0,1,0,1,0,0|0,0,2]=4 568 B17R2.146122 CC1(CC1)NCC(=O)c2cc(cc(c2)O)O 2230a_100000757604_100010006762 [0,1,0,1,0,0|0,0,2]=4 569 B17R2.18600 O=C(CNC1CCC1)c2cc(cc(c2)O)O 2230a_100000749019_100010006762 [0,1,0,1,0,0|0,0,2]=4 570 B17R2.18600 O=C(CNC1CCC1)c2cc(cc(c2)O)O 34a_100000749019_100010006762 [0,1,0,1,0,0|0,0,2]=4 571 B17R2.18600 O=C(CNC1COC1)c2cc(cc(c2)O)O 2230a_100016991112_100010006762 [0,1,0,1,0,0|0,0,2]=4 572 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [1,0,0,0,1,0|0,0,2]=4 573 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [1,0,0,0,1,0|0,0,2]=4 574 B13R1.147 CC(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000210760 [1,0,0,0,1,0|2,0,0]=4 575 B13R1.147 CC(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000210624 [1,0,0,0,1,0|2,0,0]=4 576 B13R1.147 CC(C)CN(C)c1cccc(c1)O 34a_100000756613_100000210624 [1,0,0,0,1,0|2,0,0]=4 577 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)O 271570a_100015190218_100000762945 [1,0,0,0,1,0|2,0,0]=4 578 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [1,0,0,0,1,0|2,0,0]=4 579 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [1,0,0,0,1,0|2,0,0]=4 580 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [1,0,0,0,1,0|2,0,0]=4 581 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [1,0,0,0,1,0|2,0,0]=4 582 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [1,0,0,0,1,0|1,0,0]=3 583 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [1,0,0,0,1,0|1,1,0]=4 584 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)O 271570a_100015190218_100000754920 [1,0,0,0,1,0|2,0,0]=4 585 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [1,0,0,0,1,0|0,0,2]=4 586 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [1,0,0,0,1,0|0,0,2]=4 587 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [1,0,0,0,1,0|0,0,2]=4 588 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [1,0,0,0,1,0|2,0,0]=4 589 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [1,0,0,0,1,0|2,0,0]=4 590 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [1,0,0,0,1,0|2,0,0]=4 591 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [1,0,0,0,1,0|1,0,0]=3 592 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [1,0,0,0,1,0|2,0,0]=4 593 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [1,0,0,0,1,0|2,0,0]=4 594 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [1,0,0,0,1,0|2,0,0]=4 595 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [1,0,0,0,1,0|2,0,0]=4 596 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [1,0,0,0,1,0|1,0,0]=3 597 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [1,0,0,0,1,0|1,0,0]=3 598 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [1,0,0,0,1,0|2,0,0]=4 599 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [1,0,0,0,1,0|2,0,0]=4 600 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [1,0,0,0,1,0|1,0,0]=3 601 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [1,0,0,0,1,0|1,0,0]=3 602 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [1,0,0,0,1,0|2,0,0]=4 603 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [1,0,0,0,1,0|2,0,0]=4 604 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [1,0,0,0,1,0|2,0,0]=4 605 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 240690a_100159270720_100015343762 [1,0,0,0,1,0|1,0,1]=4 606 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 527a_100159270720_100103153847 [1,0,0,0,1,0|1,0,1]=4 607 B13R1.3420 CC(C)C=Cc1cc(cc(c1)O)O 271570a_100016257149_100009868816 [1,0,0,0,1,0|0,0,2]=4 608 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000210624 [1,0,0,0,1,0|2,0,0]=4 609 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000210760 [1,0,0,0,1,0|2,0,0]=4 610 B13R1.3420 CC(C)CNc1cc(cc(c1)O)O 34a_100000043371_100000210624 [1,0,0,0,1,0|1,0,0]=3 611 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)O 62a_100000210624_100010068917 [1,0,0,0,1,0|2,0,0]=4 612 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)O 62a_100010068917_100000210760 [1,0,0,0,1,0|2,0,0]=4 613 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)O 62a_100000210624_100010068924 [1,0,0,0,1,0|2,0,0]=4 614 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000210760 [1,0,0,0,1,0|2,0,0]=4 615 B13R1.3420 CC(C)CSc1cc(cc(c1)F)O 62a_100000210624_100000688818 [1,0,0,0,1,0|2,0,0]=4 616 B13R1.3420 CC(C)CSc1cc(cc(c1)F)O 62a_100000688818_100000210760 [1,0,0,0,1,0|2,0,0]=4 617 B13R1.3420 CC(C)CSc1cc(cc(c1)O)O 62a_100000210624_100009868816 [1,0,0,0,1,0|1,0,0]=3 618 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 207a_100138425928_100000719502 [1,0,0,0,1,0|2,0,0]=4 619 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210206 [1,0,0,0,1,0|2,0,0]=4 620 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 2230a_100138425928_100011216082 [1,0,0,0,1,0|2,0,0]=4 621 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 34a_100015211796_100000210206 [1,0,0,0,1,0|2,0,0]=4 622 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 34a_100138425928_100011216082 [1,0,0,0,1,0|2,0,0]=4 623 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Cl 207a_100138425928_100011934515 [1,0,0,0,1,0|2,0,0]=4 624 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 207a_100138425928_100011794424 [1,0,0,0,1,0|2,0,0]=4 625 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 2230a_100020611034_100000210206 [1,0,0,0,1,0|2,0,0]=4 626 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 2230a_100138425928_100000766940 [1,0,0,0,1,0|2,0,0]=4 627 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 34a_100020611034_100000210206 [1,0,0,0,1,0|2,0,0]=4 628 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 34a_100138425928_100000766940 [1,0,0,0,1,0|2,0,0]=4 629 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)O 207a_100138425928_100010176088 [1,0,0,0,1,0|1,0,0]=3 630 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 207a_100138425928_100000741761 [1,0,0,0,1,0|2,0,0]=4 631 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210206 [1,0,0,0,1,0|2,0,0]=4 632 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 2230a_100138425928_100000685807 [1,0,0,0,1,0|2,0,0]=4 633 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210206 [1,0,0,0,1,0|2,0,0]=4 634 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 207a_100138425928_100000703917 [1,0,0,0,1,0|2,0,0]=4 635 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210206 [1,0,0,0,1,0|2,0,0]=4 636 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 2230a_100138425928_100011219885 [1,0,0,0,1,0|2,0,0]=4 637 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 34a_100137329012_100000210206 [1,0,0,0,1,0|2,0,0]=4 638 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 34a_100138425928_100011219885 [1,0,0,0,1,0|2,0,0]=4 639 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 207a_100138425928_100000050827 [1,0,0,0,1,0|1,0,0]=3 640 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210206 [1,0,0,0,1,0|1,0,0]=3 641 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 34a_107254831445_100000210206 [1,0,0,0,1,0|1,0,0]=3 642 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 207a_100138425928_100000743029 [1,0,0,0,1,0|2,0,0]=4 643 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 2230a_100000737602_100000210206 [1,0,0,0,1,0|2,0,0]=4 644 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 2230a_100138425928_100000697002 [1,0,0,0,1,0|2,0,0]=4 645 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 34a_100000737602_100000210206 [1,0,0,0,1,0|2,0,0]=4 646 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 34a_100138425928_100000697002 [1,0,0,0,1,0|2,0,0]=4 647 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 207a_100138425928_100000703664 [1,0,0,0,1,0|1,0,0]=3 648 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 2230a_100160469513_100000210206 [1,0,0,0,1,0|1,0,0]=3 649 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 34a_100160469513_100000210206 [1,0,0,0,1,0|1,0,0]=3 650 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 207a_100138425928_100010185649 [1,0,0,0,1,0|2,0,0]=4 651 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 2230a_100138425928_100010146614 [1,0,0,0,1,0|2,0,0]=4 652 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 34a_100138425928_100010146614 [1,0,0,0,1,0|2,0,0]=4 653 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 207a_100138425928_100010185655 [1,0,0,0,1,0|2,0,0]=4 654 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 2230a_100138425928_100010149605 [1,0,0,0,1,0|2,0,0]=4 655 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 34a_100138425928_100010149605 [1,0,0,0,1,0|2,0,0]=4 656 B13R1.3420 CC(C)NCc1cc(cc(c1)I)I 207a_100138425928_100010185653 [1,0,0,0,1,0|2,0,0]=4 657 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 207a_100138425928_100000043415 [1,0,0,0,1,0|0,0,0]=2 658 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 2230a_100159270720_100000210206 [1,0,0,0,1,0|0,0,0]=2 659 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 34a_100159270720_100000210206 [1,0,0,0,1,0|0,0,0]=2 660 B13R1.3420 CC(O)CNc1cc(cc(c1)O)O 34a_100000043371_100011218427 [1,0,0,0,1,0|2,0,0]=4 661 B13R1.3420 CC(O)CSc1cc(cc(c1)O)O 62a_100011218427_100009868816 [1,0,0,0,1,0|2,0,0]=4 662 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)O)O 34a_100000043371_100009817552 [1,0,0,0,1,0|2,0,0]=4 663 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)O)O 62a_100009817552_100009868816 [1,0,0,0,1,0|2,0,0]=4 664 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 207a_100138425928_100000686105 [1,0,0,0,1,0|2,0,0]=4 665 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 2230a_100138425928_100012348363 [1,0,0,0,1,0|2,0,0]=4 666 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 34a_100138425928_100012348363 [1,0,0,0,1,0|2,0,0]=4 667 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 207a_100138425928_100000745632 [1,0,0,0,1,0|2,0,0]=4 668 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 2230a_100020591340_100000210206 [1,0,0,0,1,0|2,0,0]=4 669 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 2230a_100138425928_100000181317 [1,0,0,0,1,0|2,0,0]=4 670 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 34a_100020591340_100000210206 [1,0,0,0,1,0|2,0,0]=4 671 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 34a_100138425928_100000181317 [1,0,0,0,1,0|2,0,0]=4 672 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Cl 207a_100138425928_100000684525 [1,0,0,0,1,0|2,0,0]=4 673 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 207a_100138425928_100011217087 [1,0,0,0,1,0|2,0,0]=4 674 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 2230a_100011830484_100000210206 [1,0,0,0,1,0|2,0,0]=4 675 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 2230a_100138425928_100011219130 [1,0,0,0,1,0|2,0,0]=4 676 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 34a_100011830484_100000210206 [1,0,0,0,1,0|2,0,0]=4 677 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 34a_100138425928_100011219130 [1,0,0,0,1,0|2,0,0]=4 678 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)O 207a_100138425928_100009853434 [1,0,0,0,1,0|1,0,0]=3 679 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)O 34a_100011995906_100000210624 [1,0,0,0,1,0|2,0,0]=4 680 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)O 7a_100011995906_100000210760 [1,0,0,0,1,0|2,0,0]=4 681 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)O 62a_100000210624_100011999630 [1,0,0,0,1,0|2,0,0]=4 682 B15R1.120 CC(C)CCC(C)Nc1cccc(c1)O 34a_100000210217_100011261404 [1,0,0,0,0,1|2,0,0]=4 683 B15R1.120 CC(C)CCC(C)Sc1cccc(c1)O 62a_100011261404_100000211634 [1,0,0,0,0,1|2,0,0]=4 684 B15R1.120 CC(C)NCC(=O)Nc1cccc(c1)O 2230a_100138425928_100011236192 [1,0,0,0,0,1|0,0,2]=4 685 B15R1.120 CC(C)NCC(=O)Nc1cccc(c1)O 34a_100138425928_100011236192 [1,0,0,0,0,1|0,0,2]=4 686 B15R1.8273 C=C(C)CNCC(O)c1cccc(c1)O 2230a_100020657549_100000748629 [1,0,0,0,0,1|0,0,2]=4 687 B15R1.8273 C=C(C)CNCC(O)c1cccc(c1)O 34a_100020657549_100000748629 [1,0,0,0,0,1|0,0,2]=4 688 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210312 [1,0,0,0,0,1|2,0,0]=4 689 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000210545_100000211620 [1,0,0,0,0,1|2,0,0]=4 690 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000740644_100000185833 [1,0,0,0,0,1|2,0,0]=4 691 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)O 34a_100000210953_100009813753 [1,0,0,0,0,1|0,0,2]=4 692 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 2230a_100020657549_100000210760 [1,0,0,0,0,1|0,0,0]=2 693 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 270004a_100020657549_100000210432 [1,0,0,0,0,1|0,0,0]=2 694 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 34a_100020657549_100000210624 [1,0,0,0,0,1|0,0,0]=2 695 B15R1.8273 CC(C)OCNC(C)c1cccc(c1)O 2230a_100000740644_100000709892 [1,0,0,0,0,1|2,0,0]=4 696 B15R1.8273 CC(O)CNCC(O)c1cccc(c1)O 2230a_100020657549_100011218427 [1,0,0,0,0,1|1,0,0]=3 697 B15R1.8273 CC(O)CNCC(O)c1cccc(c1)O 34a_100020657549_100011218427 [1,0,0,0,0,1|1,0,0]=3 698 B15R1.8273 C[C@@H](O)CNCC(O)c1cccc(c1)O 2230a_100020657549_100009817552 [1,0,0,0,0,1|1,0,0]=3 699 B15R1.8273 C[C@@H](O)CNCC(O)c1cccc(c1)O 34a_100020657549_100009817552 [1,0,0,0,0,1|1,0,0]=3 700 B15R1.8273 Oc1cccc(c1)C(O)CNCC(F)F 2230a_100020657549_100011934356 [1,0,0,0,0,1|2,0,0]=4 701 B15R1.8273 Oc1cccc(c1)C(O)CNCC(F)F 34a_100020657549_100011934356 [1,0,0,0,0,1|2,0,0]=4 702 B15R1.3898 CCCCC(C)Nc1cc(cc(c1)O)O 34a_100000043371_200011215066 [1,0,0,0,0,1|2,0,0]=4 703 B15R1.3898 CCCCC(C)Sc1cc(cc(c1)O)O 62a_200011215066_100009868816 [1,0,0,0,0,1|2,0,0]=4 704 B15R1.5448 CC(=CCCNc1cc(cc(c1)O)O)C 34a_100000043371_100011217483 [1,0,0,0,0,1|1,0,1]=4 705 B15R1.5448 CC(=CCCSc1cc(cc(c1)O)O)C 62a_100011217483_100009868816 [1,0,0,0,0,1|1,0,1]=4 706 B15R1.5448 CC(=CCNCc1cc(cc(c1)O)O)C 2230a_100159270720_100000761012 [1,0,0,0,0,1|1,0,1]=4 707 B15R1.5448 CC(=CCNCc1cc(cc(c1)O)O)C 34a_100159270720_100000761012 [1,0,0,0,0,1|1,0,1]=4 708 B15R1.5448 CC(=O)NCCSc1cc(cc(c1)O)O 62a_100000189650_100009868816 [1,0,0,0,0,1|1,0,1]=4 709 B15R1.5448 CC(C)CCCNc1cc(cc(c1)Cl)O 34a_100000123917_100011214892 [1,0,0,0,0,1|2,0,0]=4 710 B15R1.5448 CC(C)CCCNc1cc(cc(c1)Cl)O 7a_100000123917_100011214892 [1,0,0,0,0,1|2,0,0]=4 711 B15R1.5448 CC(C)CCCNc1cc(cc(c1)O)O 34a_100000043371_100011214892 [1,0,0,0,0,1|1,0,0]=3 712 B15R1.5448 CC(C)CCCSc1cc(cc(c1)Br)O 62a_100010068917_100011214892 [1,0,0,0,0,1|2,0,0]=4 713 B15R1.5448 CC(C)CCCSc1cc(cc(c1)Br)O 62a_100011214892_100010068917 [1,0,0,0,0,1|2,0,0]=4 714 B15R1.5448 CC(C)CCCSc1cc(cc(c1)Cl)O 62a_100010068924_100011214892 [1,0,0,0,0,1|2,0,0]=4 715 B15R1.5448 CC(C)CCCSc1cc(cc(c1)Cl)O 62a_100011214892_100010068924 [1,0,0,0,0,1|2,0,0]=4 716 B15R1.5448 CC(C)CCCSc1cc(cc(c1)F)O 62a_100000688818_100011214892 [1,0,0,0,0,1|2,0,0]=4 717 B15R1.5448 CC(C)CCCSc1cc(cc(c1)F)O 62a_100011214892_100000688818 [1,0,0,0,0,1|2,0,0]=4 718 B15R1.5448 CC(C)CCCSc1cc(cc(c1)O)O 62a_100011214892_100009868816 [1,0,0,0,0,1|1,0,0]=3 719 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Br)O 207a_100000210545_100010176088 [1,0,0,0,0,1|2,0,0]=4 720 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Br)O 270004a_100000210545_100010176088 [1,0,0,0,0,1|2,0,0]=4 721 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Cl)O 207a_100000210545_100000050827 [1,0,0,0,0,1|2,0,0]=4 722 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210312 [1,0,0,0,0,1|2,0,0]=4 723 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Cl)O 269862a_107254831445_100000185833 [1,0,0,0,0,1|2,0,0]=4 724 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Cl)O 270004a_100000210545_100000050827 [1,0,0,0,0,1|2,0,0]=4 725 B15R1.5448 CC(C)CCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210312 [1,0,0,0,0,1|2,0,0]=4 726 B15R1.5448 CC(C)CCNCc1cc(cc(c1)F)O 207a_100000210545_100000703664 [1,0,0,0,0,1|2,0,0]=4 727 B15R1.5448 CC(C)CCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210312 [1,0,0,0,0,1|2,0,0]=4 728 B15R1.5448 CC(C)CCNCc1cc(cc(c1)F)O 269862a_100160469513_100000185833 [1,0,0,0,0,1|2,0,0]=4 729 B15R1.5448 CC(C)CCNCc1cc(cc(c1)F)O 270004a_100000210545_100000703664 [1,0,0,0,0,1|2,0,0]=4 730 B15R1.5448 CC(C)CCNCc1cc(cc(c1)F)O 34a_100160469513_100000210312 [1,0,0,0,0,1|2,0,0]=4 731 B15R1.5448 CC(C)CCNCc1cc(cc(c1)O)O 207a_100000210545_100000043415 [1,0,0,0,0,1|1,0,0]=3 732 B15R1.5448 CC(C)CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210312 [1,0,0,0,0,1|1,0,0]=3 733 B15R1.5448 CC(C)CCNCc1cc(cc(c1)O)O 269862a_100159270720_100000185833 [1,0,0,0,0,1|1,0,0]=3 734 B15R1.5448 CC(C)CCNCc1cc(cc(c1)O)O 34a_100159270720_100000210312 [1,0,0,0,0,1|1,0,0]=3 735 B15R1.5448 CC(C)CNCCc1cc(cc(c1)Cl)Cl 2230a_100000210953_100000691793 [1,0,0,0,0,1|2,0,0]=4 736 B15R1.5448 CC(C)CNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210760 [1,0,0,0,0,1|2,0,0]=4 737 B15R1.5448 CC(C)CNCCc1cc(cc(c1)Cl)Cl 270004a_100000746052_100000210432 [1,0,0,0,0,1|2,0,0]=4 738 B15R1.5448 CC(C)CNCCc1cc(cc(c1)Cl)Cl 34a_100000210953_100000691793 [1,0,0,0,0,1|2,0,0]=4 739 B15R1.5448 CC(C)CNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210624 [1,0,0,0,0,1|2,0,0]=4 740 B15R1.5448 CC(C)CNCCc1cc(cc(c1)F)F 2230a_100000210953_100011754442 [1,0,0,0,0,1|2,0,0]=4 741 B15R1.5448 CC(C)CNCCc1cc(cc(c1)F)F 2230a_100000748410_100000210760 [1,0,0,0,0,1|2,0,0]=4 742 B15R1.5448 CC(C)CNCCc1cc(cc(c1)F)F 270004a_100000748410_100000210432 [1,0,0,0,0,1|2,0,0]=4 743 B15R1.5448 CC(C)CNCCc1cc(cc(c1)F)F 34a_100000210953_100011754442 [1,0,0,0,0,1|2,0,0]=4 744 B15R1.5448 CC(C)CNCCc1cc(cc(c1)F)F 34a_100000748410_100000210624 [1,0,0,0,0,1|2,0,0]=4 745 B15R1.5448 CC(C)OCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000211751 [1,0,0,0,0,1|2,0,0]=4 746 B15R1.5448 CC(C)OCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000211751 [1,0,0,0,0,1|2,0,0]=4 747 B15R1.5448 CC(C)OCCNc1cc(cc(c1)O)O 34a_100000043371_100000211751 [1,0,0,0,0,1|1,0,0]=3 748 B15R1.5448 CC(C)OCCSc1cc(cc(c1)Br)O 62a_100000211751_100010068917 [1,0,0,0,0,1|2,0,0]=4 749 B15R1.5448 CC(C)OCCSc1cc(cc(c1)Br)O 62a_100010068917_100000211751 [1,0,0,0,0,1|2,0,0]=4 750 B15R1.5448 CC(C)OCCSc1cc(cc(c1)Cl)O 62a_100000211751_100010068924 [1,0,0,0,0,1|2,0,0]=4 751 B15R1.5448 CC(C)OCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000211751 [1,0,0,0,0,1|2,0,0]=4 752 B15R1.5448 CC(C)OCCSc1cc(cc(c1)F)O 62a_100000211751_100000688818 [1,0,0,0,0,1|2,0,0]=4 753 B15R1.5448 CC(C)OCCSc1cc(cc(c1)F)O 62a_100000688818_100000211751 [1,0,0,0,0,1|2,0,0]=4 754 B15R1.5448 CC(C)OCCSc1cc(cc(c1)O)O 62a_100000211751_100009868816 [1,0,0,0,0,1|1,0,0]=3 755 B15R1.5448 CC(C)OCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000709892 [1,0,0,0,0,1|2,0,0]=4 756 B15R1.5448 CC(C)OCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000709892 [1,0,0,0,0,1|2,0,0]=4 757 B15R1.5448 CC(C)OCNCc1cc(cc(c1)F)O 2230a_100160469513_100000709892 [1,0,0,0,0,1|2,0,0]=4 758 B15R1.5448 CC(C)OCNCc1cc(cc(c1)F)O 34a_100160469513_100000709892 [1,0,0,0,0,1|2,0,0]=4 759 B15R1.5448 CC(C)OCNCc1cc(cc(c1)O)O 2230a_100159270720_100000709892 [1,0,0,0,0,1|1,0,0]=3 760 B15R1.5448 CC(C)OCNCc1cc(cc(c1)O)O 34a_100159270720_100000709892 [1,0,0,0,0,1|1,0,0]=3 761 B15R1.5448 CC(C)SCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000730970 [1,0,0,0,0,1|2,0,0]=4 762 B15R1.5448 CC(C)SCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000730970 [1,0,0,0,0,1|2,0,0]=4 763 B15R1.5448 CC(C)SCCNc1cc(cc(c1)O)O 34a_100000043371_100000730970 [1,0,0,0,0,1|1,0,0]=3 764 B15R1.5448 CC(C)SCCSc1cc(cc(c1)Br)O 62a_100000730970_100010068917 [1,0,0,0,0,1|2,0,0]=4 765 B15R1.5448 CC(C)SCCSc1cc(cc(c1)Br)O 62a_100010068917_100000730970 [1,0,0,0,0,1|2,0,0]=4 766 B15R1.5448 CC(C)SCCSc1cc(cc(c1)Cl)O 62a_100000730970_100010068924 [1,0,0,0,0,1|2,0,0]=4 767 B15R1.5448 CC(C)SCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000730970 [1,0,0,0,0,1|2,0,0]=4 768 B15R1.5448 CC(C)SCCSc1cc(cc(c1)F)O 62a_100000688818_100000730970 [1,0,0,0,0,1|2,0,0]=4 769 B15R1.5448 CC(C)SCCSc1cc(cc(c1)F)O 62a_100000730970_100000688818 [1,0,0,0,0,1|2,0,0]=4 770 B15R1.5448 CC(C)SCCSc1cc(cc(c1)O)O 62a_100000730970_100009868816 [1,0,0,0,0,1|1,0,0]=3 771 B15R1.5448 CC(O)CCCNc1cc(cc(c1)O)O 34a_100000043371_200000718107 [1,0,0,0,0,1|2,0,0]=4 772 B15R1.5448 CC(O)CCCSc1cc(cc(c1)O)O 62a_200000718107_100009868816 [1,0,0,0,0,1|2,0,0]=4 773 B15R1.5448 CC(O)CCNCc1cc(cc(c1)O)O 207a_200000755665_100000043415 [1,0,0,0,0,1|2,0,0]=4 774 B15R1.5448 CC(O)CCNCc1cc(cc(c1)O)O 2230a_100159270720_100012276601 [1,0,0,0,0,1|2,0,0]=4 775 B15R1.5448 CC(O)CCNCc1cc(cc(c1)O)O 34a_100159270720_100012276601 [1,0,0,0,0,1|2,0,0]=4 776 B15R1.5448 CN(C)CCNCc1cc(cc(c1)O)O 207a_100000210585_100000043415 [1,0,0,0,0,1|2,0,0]=4 777 B15R1.5448 Cc1cc(cc(c1)CNCCC(C)C)O 207a_100000210545_100009853434 [1,0,0,0,0,1|2,0,0]=4 778 B15R1.5448 Cc1cc(cc(c1)CNCCC(C)C)O 270004a_100000210545_100009853434 [1,0,0,0,0,1|2,0,0]=4 779 B15R1.5448 Cc1cc(cc(c1)NCCCC(C)C)O 34a_100011995906_100011214892 [1,0,0,0,0,1|2,0,0]=4 780 B15R1.5448 Cc1cc(cc(c1)NCCCC(C)C)O 7a_100011995906_100011214892 [1,0,0,0,0,1|2,0,0]=4 781 B15R1.5448 Cc1cc(cc(c1)NCCOC(C)C)O 34a_100011995906_100000211751 [1,0,0,0,0,1|2,0,0]=4 782 B15R1.5448 Cc1cc(cc(c1)NCCOC(C)C)O 7a_100011995906_100000211751 [1,0,0,0,0,1|2,0,0]=4 783 B15R1.5448 Cc1cc(cc(c1)NCCSC(C)C)O 34a_100011995906_100000730970 [1,0,0,0,0,1|2,0,0]=4 784 B15R1.5448 Cc1cc(cc(c1)NCCSC(C)C)O 7a_100011995906_100000730970 [1,0,0,0,0,1|2,0,0]=4 785 B15R1.5448 Cc1cc(cc(c1)OCCNC(C)C)C 2230a_100000743791_100000210206 [1,0,0,0,0,1|2,0,0]=4 786 B15R1.5448 Cc1cc(cc(c1)OCCNC(C)C)C 2230a_100138425928_100000185327 [1,0,0,0,0,1|2,0,0]=4 787 B15R1.5448 Cc1cc(cc(c1)OCCNC(C)C)C 34a_100000743791_100000210206 [1,0,0,0,0,1|2,0,0]=4 788 B15R1.5448 Cc1cc(cc(c1)OCCNC(C)C)C 34a_100138425928_100000185327 [1,0,0,0,0,1|2,0,0]=4 789 B15R1.5448 Cc1cc(cc(c1)SCCCC(C)C)O 62a_100011214892_100011999630 [1,0,0,0,0,1|2,0,0]=4 790 B15R1.5448 Cc1cc(cc(c1)SCCOC(C)C)O 62a_100000211751_100011999630 [1,0,0,0,0,1|2,0,0]=4 791 B15R1.5448 Cc1cc(cc(c1)SCCSC(C)C)O 62a_100000730970_100011999630 [1,0,0,0,0,1|2,0,0]=4 792 B15R1.5822 CC(C)NCC(=O)c1ccc(cc1O)O 34a_100138425928_100009814262 [0,0,0,0,1,1|0,0,2]=4 793 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100138425928_100000761269 [0,0,0,0,1,1|2,0,0]=4 794 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 34a_100138425928_100000761269 [0,0,0,0,1,1|2,0,0]=4 795 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100138425928_100000761231 [0,0,0,0,1,1|2,0,0]=4 796 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138425928_100000761231 [0,0,0,0,1,1|2,0,0]=4 797 B17R1.8189 CC(C)CCC(C)NCc1cc(cc(c1)O)O 207a_100138410893_100000043415 [0,0,0,0,0,2|2,0,0]=4 798 B17R1.8189 CC(C)CCC(C)NCc1cc(cc(c1)O)O 2230a_100159270720_100011261404 [0,0,0,0,0,2|2,0,0]=4 799 B17R1.8189 CC(C)CCC(C)NCc1cc(cc(c1)O)O 34a_100159270720_100011261404 [0,0,0,0,0,2|2,0,0]=4