0 B14R2.5637 Brc1ccc2c(c1)C(=O)CCCC2 1P004IPE [0,0,0,0,0,0|2,1,1]=4 1 B14R2.5637 Brc1ccc2c(c1)C(N)CCCC2 1P028X5I [0,0,0,0,0,0|2,1,0]=3 2 B14R2.5637 Brc1ccc2c(c1)C(N)CCCO2 1P028SH6 [0,0,0,0,0,0|3,1,0]=4 3 B14R2.5637 Brc1ccc2c(c1)C(N)CCCS2 1P01BVYF [0,0,0,0,0,0|3,1,0]=4 4 B14R2.5637 Brc1ccc2c(c1)C(O)CCCC2 1P00FGO9 [0,0,0,0,0,0|2,1,0]=3 5 B14R2.5637 Brc1ccc2c(c1)C(O)CCCO2 1P009ZQ1 [0,0,0,0,0,0|3,1,0]=4 6 B14R2.5637 Brc1ccc2c(c1)C(O)CCNC2 1P0282VQ [0,0,0,0,0,0|3,1,0]=4 7 B14R2.5637 Brc1ccc2c(c1)N(C)CCNC2 1P02836H [0,0,0,0,0,0|3,1,0]=4 8 B14R2.5637 Brc1ccc2c(c1)N(C)CCNC2 1P028W9E [0,0,0,0,0,0|3,1,0]=4 9 B14R2.5637 Cc1ccc2c(c1)C(N)CCCN2 1P001H7W [0,0,0,0,0,0|4,0,0]=4 10 B14R2.5637 Clc1ccc2c(c1)C(=O)CCCC2 1P0072VJ [0,0,0,0,0,0|2,0,1]=3 11 B14R2.5637 Clc1ccc2c(c1)C(=O)CCCN2 1P001S5X [0,0,0,0,0,0|3,0,1]=4 12 B14R2.5637 Clc1ccc2c(c1)C(=O)CCCO2 1P00DCN4 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.5637 Clc1ccc2c(c1)C(=O)CCCS2 1P0030R1 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.5637 Clc1ccc2c(c1)C(=O)NCCC2 1P020ND9 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.5637 Clc1ccc2c(c1)C(C)CNCC2 1P009D2K [0,0,0,0,0,0|0,0,0]=0 16 B14R2.5637 Clc1ccc2c(c1)C(C)CNCC2 1P00E937 [0,0,0,0,0,0|0,0,0]=0 17 B14R2.5637 Clc1ccc2c(c1)C(O)CCCN2 1P01XCFU [0,0,0,0,0,0|3,0,0]=3 18 B14R2.5637 Fc1ccc2c(c1)C(C)CNCC2 1P01C730 [0,0,0,0,0,0|0,1,0]=1 19 B14R2.5637 Fc1ccc2c(c1)C(N)CCCO2 1P019XF8 [0,0,0,0,0,0|3,1,0]=4 20 B14R2.5637 Fc1ccc2c(c1)C(O)CCCN2 1P01A6BU [0,0,0,0,0,0|3,1,0]=4 21 B14R2.5637 Fc1ccc2c(c1)N(C)CCCN2 1P01AKDQ [0,0,0,0,0,0|3,1,0]=4 22 B14R2.5637 Nc1ccc2c(c1)C(=O)CCCC2 1P00IJAH [0,0,0,0,0,0|3,0,1]=4 23 B14R2.5637 Nc1ccc2c(c1)C(O)CCCC2 1P01B5KN [0,0,0,0,0,0|3,0,0]=3 24 B14R2.5637 Oc1ccc2c(c1)C(=O)CCCC2 1P01A4XQ [0,0,0,0,0,0|3,0,1]=4 25 B14R2.5637 Oc1ccc2c(c1)C(C)CNCC2 1P028OE4 [0,0,0,0,0,0|1,0,0]=1 26 B13R2.3729 Brc1ccc2c(c1)CCCCN2 1P01A4RG [1,0,0,0,0,0|2,1,0]=4 27 B13R2.3729 Brc1ccc2c(c1)CCCCS2 1P01DR9M [1,0,0,0,0,0|2,1,0]=4 28 B13R2.3729 Brc1ccc2c(c1)CCCNC2 1P0221OL [1,0,0,0,0,0|2,1,0]=4 29 B13R2.3729 Brc1ccc2c(c1)CCNCC2 1P020MCW [1,0,0,0,0,0|0,1,0]=2 30 B13R2.3729 Brc1ccc2c(c1)CNCCC2 1P00I4VU [1,0,0,0,0,0|2,1,0]=4 31 B13R2.3729 Brc1ccc2c(c1)CNCCC2 1P01DIK9 [1,0,0,0,0,0|2,1,0]=4 32 B13R2.3729 Brc1ccc2c(c1)NCCCC2 1P002AO7 [1,0,0,0,0,0|2,1,0]=4 33 B13R2.3729 Brc1cnc2c(c1)CCNCC2 1P02055S [1,0,0,0,0,0|1,1,0]=3 34 B13R2.3729 Cc1ccc2c(c1)NCCCC2 1P01EJM2 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.3729 Clc1ccc2c(c1)CCCCN2 1P007K6O [1,0,0,0,0,0|2,0,0]=3 36 B13R2.3729 Clc1ccc2c(c1)CCCCN2 1P01B6ML [1,0,0,0,0,0|2,0,0]=3 37 B13R2.3729 Clc1ccc2c(c1)CCCNC2 1P01XBRA [1,0,0,0,0,0|2,0,0]=3 38 B13R2.3729 Clc1ccc2c(c1)CCNCC2 1P023ZM6 [1,0,0,0,0,0|0,0,0]=1 39 B13R2.3729 Clc1ccc2c(c1)CNCCN2 1P00EB5C [1,0,0,0,0,0|3,0,0]=4 40 B13R2.3729 Clc1ccc2c(c1)CNCCO2 1P00J3U7 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.3729 Clc1ccc2c(c1)NCCCC2 1P01A7F3 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.3729 Clc1ccc2c(c1)NCCCC2 1P027USH [1,0,0,0,0,0|2,0,0]=3 43 B13R2.3729 Clc1ccc2c(c1)NCCCS2 1P019Z0J [1,0,0,0,0,0|3,0,0]=4 44 B13R2.3729 Clc1ccc2c(c1)NCCNC2 1P008SOL [1,0,0,0,0,0|3,0,0]=4 45 B13R2.3729 Clc1ccc2c(c1)OCCCO2 1P019NKS [1,0,0,0,0,0|3,0,0]=4 46 B13R2.3729 Clc1ccc2c(c1)OCCNC2 1P0285GA [1,0,0,0,0,0|3,0,0]=4 47 B13R2.3729 Clc1ccc2c(n1)CCCCC2 1P027UCD [1,0,0,0,0,0|2,0,0]=3 48 B13R2.3729 Clc1ccc2c(n1)NCCCC2 1P00964F [1,0,0,0,0,0|3,0,0]=4 49 B13R2.3729 Clc1ncc2c(n1)CCCCC2 1P01E27E [1,0,0,0,0,0|3,0,0]=4 50 B13R2.3729 Fc1ccc2c(c1)CCCNC2 1P01FT14 [1,0,0,0,0,0|2,1,0]=4 51 B13R2.3729 Nc1ccc2c(c1)CCCCC2 1P01C641 [1,0,0,0,0,0|2,0,0]=3 52 B13R2.3729 Nc1ncc2c(c1)CCCCC2 1P01DR9P [1,0,0,0,0,0|3,0,0]=4 53 B13R2.3729 Oc1ccc2c(c1)CCCCC2 1P01EN1R [1,0,0,0,0,0|2,0,0]=3 54 B13R2.3729 Oc1ccc2c(c1)CCCCN2 1P01EMXC [1,0,0,0,0,0|3,0,0]=4 55 B13R2.3729 Oc1ccc2c(c1)CCNCC2 1P00I7M8 [1,0,0,0,0,0|1,0,0]=2 56 B13R2.3729 Oc1ccc2c(c1)CCNCC2 1P019WT4 [1,0,0,0,0,0|1,0,0]=2 57 B13R2.3729 Oc1ccc2c(c1)CNCCC2 1P00I7UI [1,0,0,0,0,0|3,0,0]=4 58 B13R2.3729 Oc1ccc2c(c1)NCCCC2 1P01XHAZ [1,0,0,0,0,0|3,0,0]=4 59 B13R2.5252 BrC1CCCCc2c1cccc2 1P019TV7 [1,0,0,0,0,0|2,0,0]=3 60 B13R2.5252 CC1CCCNc2c1cccc2 1P01A7HU [1,0,0,0,0,0|2,0,0]=3 61 B13R2.5252 CC1CNCCc2c1cccc2 1P01C66M [1,0,0,0,0,0|0,0,0]=1 62 B13R2.5252 CC1NCCCc2c1cccn2 1P027ZD7 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.5252 CC1NCCOc2c1cccc2 1P019WHW [1,0,0,0,0,0|3,0,0]=4 64 B13R2.5252 CC1NCCOc2c1cccc2 1P019WL5 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.5252 CN1CCCNc2c1cccc2 1P00C9I1 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.5252 CN1CCNCc2c1cccc2 1P00CNVR [1,0,0,0,0,0|3,0,0]=4 67 B13R2.5252 CN1CCNCc2c1cccc2 1P027VKD [1,0,0,0,0,0|3,0,0]=4 68 B13R2.5252 NC1CCCCc2c1cccc2 1P00278U [1,0,0,0,0,0|2,0,0]=3 69 B13R2.5252 NC1CCCCc2c1cccc2 1P008ZWL [1,0,0,0,0,0|2,0,0]=3 70 B13R2.5252 NC1CCCOc2c1cccc2 1P001LAF [1,0,0,0,0,0|3,0,0]=4 71 B13R2.5252 NC1CNCCc2c1cccc2 1P028NS2 [1,0,0,0,0,0|1,0,0]=2 72 B13R2.5252 O=C1CCCCc2c1cccc2 1P008KEV [1,0,0,0,0,0|2,0,1]=4 73 B13R2.5252 O=C1CSCCc2c1cccc2 1P006UV1 [1,0,0,0,0,0|2,0,1]=4 74 B13R2.5252 OC1CCCCc2c1cccc2 1P00CBCE [1,0,0,0,0,0|2,0,0]=3 75 B13R2.5252 OC1CCCOc2c1cccc2 1P0029UR [1,0,0,0,0,0|3,0,0]=4 76 B13R2.5252 OC1CCNCc2c1cccc2 1P01A5LW [1,0,0,0,0,0|3,0,0]=4 77 B13R2.5252 O[C@@H]1CCCOc2c1cccc2 1P01A2S4 [1,0,0,0,0,0|3,0,0]=4 78 B13R2.5252 O[C@@H]1CCCSc2c1cccc2 1P01A1G9 [1,0,0,0,0,0|3,0,0]=4 79 B13R2.5252 O[C@H]1CCCOc2c1cccc2 1P00G89H [1,0,0,0,0,0|3,0,0]=4 80 B13R2.5252 O[C@H]1CCCSc2c1cccc2 1P01A1GA [1,0,0,0,0,0|3,0,0]=4 81 B15R2.2820 COc1ccc2c(c1)C(C)CNCC2 1P01A2HX [0,1,0,0,0,0|1,0,0]=2 82 B15R2.2820 COc1ccc2c(c1)C(O)CCCC2 1P028ZI0 [0,1,0,0,0,0|3,0,0]=4 83 B15R2.7172 NN1CCc2c([C@H](C1)C)cc(cc2)Cl 1P027YJS [0,1,0,0,0,0|0,0,0]=1 84 B15R2.50022 CC1C(=O)NCCc2c1cc(O)cc2 1P028W0Z [0,1,0,0,0,0|1,0,1]=3 85 B15R2.50087 Brc1ccc2c(c1)C(C)(C)CCCN2 1P0281GZ [0,1,0,0,0,0|2,1,0]=4 86 B15R2.50087 Brc1ccc2c(c1)C(C)(C)CCNC2 1P028245 [0,1,0,0,0,0|2,1,0]=4 87 B15R2.64537 CC1CNCCc2c1cc(O)c(c2)Br 1P028MGJ [0,1,0,0,0,0|1,0,0]=2 88 B13R1.9 BrCCCCOc1ccc(cc1)Cl 1P00299H [0,0,1,0,0,0|3,0,0]=4 89 B13R1.9 BrCCCNCc1ccc(cc1)Cl 1P01V1PO [0,0,1,0,0,0|3,0,0]=4 90 B13R1.9 CCCCCCc1ccc(cc1)Br 1P002ONY [0,0,1,0,0,0|1,1,0]=3 91 B13R1.9 CCCCCCc1ccc(cc1)C 1P001RLJ [0,0,1,0,0,0|2,0,0]=3 92 B13R1.9 CCCCCCc1ccc(cc1)N 1P007H77 [0,0,1,0,0,0|2,0,0]=3 93 B13R1.9 CCCCCCc1ccc(cc1)O 1P003MAY [0,0,1,0,0,0|2,0,0]=3 94 B13R1.9 CCCCCOc1ccc(cc1)Br 1P0031MR [0,0,1,0,0,0|2,1,0]=4 95 B13R1.9 CCCCCOc1ccc(cc1)N 1P00BYPS [0,0,1,0,0,0|3,0,0]=4 96 B13R1.9 CCCCCOc1ccc(cc1)N 1P028610 [0,0,1,0,0,0|3,0,0]=4 97 B13R1.9 CCCCCOc1ccc(cc1)O 1P002EFV [0,0,1,0,0,0|3,0,0]=4 98 B13R1.9 CCCCNCc1ccc(cc1)Br 1P00J23D [0,0,1,0,0,0|2,1,0]=4 99 B13R1.9 CCCCNCc1ccc(cc1)C 1P00ADC2 [0,0,1,0,0,0|3,0,0]=4 100 B13R1.9 CCCCNCc1ccc(cc1)C 1P00BBY9 [0,0,1,0,0,0|3,0,0]=4 101 B13R1.9 CCCCNCc1ccc(cc1)F 1P00ECLR [0,0,1,0,0,0|2,1,0]=4 102 B13R1.9 CCCCNCc1ccc(cc1)O 1P00JTYE [0,0,1,0,0,0|3,0,0]=4 103 B13R1.9 CCNCCOc1ccc(cc1)Cl 1P00J4IA [0,0,1,0,0,0|3,0,0]=4 104 B13R1.9 CCOCCNc1ccc(cc1)Cl 1P01C2ZZ [0,0,1,0,0,0|3,0,0]=4 105 B13R1.9 CNCCCOc1ccc(cc1)Cl 1P00GT8R [0,0,1,0,0,0|3,0,0]=4 106 B13R1.9 NCCCCCc1ccc(cc1)Br 1P027ZW4 [0,0,1,0,0,0|2,1,0]=4 107 B13R1.9 NCCCCCc1ccc(cc1)Cl 1P028EOJ [0,0,1,0,0,0|2,0,0]=3 108 B13R1.9 NCCCCCc1ccc(cc1)F 1P01AG1S [0,0,1,0,0,0|2,1,0]=4 109 B13R1.9 NCCCCOc1ccc(cc1)Cl 1P019PA1 [0,0,1,0,0,0|3,0,0]=4 110 B13R1.9 NCCCSCc1ccc(cc1)Cl 1P0066R5 [0,0,1,0,0,0|3,0,0]=4 111 B13R1.9 OCCCNCc1ccc(cc1)Cl 1P00J1JI [0,0,1,0,0,0|3,0,0]=4 112 B13R1.9 OCCNCCc1ccc(cc1)N 1P01BBJB [0,0,1,0,0,0|2,0,0]=3 113 B13R1.18 CCCCC(c1cccc(c1)F)N 1P00ASSM [0,0,1,0,0,0|2,1,0]=4 114 B13R1.18 CCNCC(c1cccc(c1)Br)C 1P01FJ49 [0,0,1,0,0,0|0,1,0]=2 115 B13R1.18 CCNCC(c1cccc(c1)O)O 1P00III3 [0,0,1,0,0,0|2,0,0]=3 116 B13R1.18 CCONC(c1cccc(c1)Br)C 1P01C0LM [0,0,1,0,0,0|2,1,0]=4 117 B13R1.18 CNCCN(c1cccc(c1)Cl)C 1P01FKNU [0,0,1,0,0,0|3,0,0]=4 118 B13R1.73 CCCOc1ccc(cc1CBr)Cl 1P0290PS [0,0,1,0,0,0|3,0,0]=4 119 B13R1.73 CCCOc1ccc(cc1CN)Cl 1P00909U [0,0,1,0,0,0|3,0,0]=4 120 B13R1.73 CCCOc1ccc(cc1CO)Cl 1P01FEPV [0,0,1,0,0,0|3,0,0]=4 121 B13R1.446 CNCC(c1cc(O)ccc1Cl)O 1P01C0LP [0,0,1,0,0,0|3,0,0]=4 122 B13R1.2209 COc1ccc(cc1C(CN)O)Cl 1P01C1IQ [0,0,1,0,0,0|2,0,0]=3 123 B13R2.162 Brc1ccc2c(c1)C(=C)CCC2 1P0283GW [0,0,0,0,1,0|0,1,2]=4 124 B13R2.162 Brc1ccc2c(c1)C(=O)CCC2 1P0034UL [0,0,0,0,1,0|1,1,1]=4 125 B13R2.162 Brc1ccc2c(c1)C(=O)NCC2 1P003774 [0,0,0,0,1,0|1,1,1]=4 126 B13R2.162 Brc1ccc2c(c1)C(C)CCN2 1P00IIWV [0,0,0,0,1,0|1,1,0]=3 127 B13R2.162 Brc1ccc2c(c1)C(C)NCC2 1P00HEHE [0,0,0,0,1,0|0,1,0]=2 128 B13R2.162 Brc1ccc2c(c1)C(C)NCC2 1P028SWK [0,0,0,0,1,0|0,1,0]=2 129 B13R2.162 Brc1ccc2c(c1)C(Cl)CCC2 1P01A4J3 [0,0,0,0,1,0|1,1,0]=3 130 B13R2.162 Brc1ccc2c(c1)C(Cl)CCO2 1P0282XY [0,0,0,0,1,0|2,1,0]=4 131 B13R2.162 Brc1ccc2c(c1)C(N)CCC2 1P000QFE [0,0,0,0,1,0|1,1,0]=3 132 B13R2.162 Brc1ccc2c(c1)C(N)CCC2 1P004VKL [0,0,0,0,1,0|1,1,0]=3 133 B13R2.162 Brc1ccc2c(c1)C(N)CCO2 1P002FTH [0,0,0,0,1,0|2,1,0]=4 134 B13R2.162 Brc1ccc2c(c1)C(N)CCO2 1P00FB0A [0,0,0,0,1,0|2,1,0]=4 135 B13R2.162 Brc1ccc2c(c1)C(N)CCS2 1P000E2X [0,0,0,0,1,0|2,1,0]=4 136 B13R2.162 Brc1ccc2c(c1)C(N)CSC2 1P0081DV [0,0,0,0,1,0|2,1,0]=4 137 B13R2.162 Brc1ccc2c(c1)C(O)CCC2 1P00G4FZ [0,0,0,0,1,0|1,1,0]=3 138 B13R2.162 Brc1ccc2c(c1)C(O)CCO2 1P00I1WC [0,0,0,0,1,0|2,1,0]=4 139 B13R2.162 Brc1ccc2c(c1)N(C)CCN2 1P00A0BH [0,0,0,0,1,0|2,1,0]=4 140 B13R2.162 Brc1ccc2c(c1)[C@@H](N)CCC2 1P00FEK3 [0,0,0,0,1,0|1,1,0]=3 141 B13R2.162 Brc1ccc2c(c1)[C@@H](N)CCC2 1P00FGZC [0,0,0,0,1,0|1,1,0]=3 142 B13R2.162 Brc1ccc2c(c1)[C@@H](N)CCO2 1P00231K [0,0,0,0,1,0|2,1,0]=4 143 B13R2.162 Brc1ccc2c(c1)[C@@H](O)CCC2 1P0292P0 [0,0,0,0,1,0|1,1,0]=3 144 B13R2.162 Brc1ccc2c(c1)[C@@H](O)CCO2 1P01AKXP [0,0,0,0,1,0|2,1,0]=4 145 B13R2.162 Brc1ccc2c(c1)[C@H](N)CCC2 1P00G8PY [0,0,0,0,1,0|1,1,0]=3 146 B13R2.162 Brc1ccc2c(c1)[C@H](N)CCC2 1P00G8PZ [0,0,0,0,1,0|1,1,0]=3 147 B13R2.162 Brc1ccc2c(c1)[C@H](O)CCC2 1P0290SQ [0,0,0,0,1,0|1,1,0]=3 148 B13R2.162 Brc1ccc2c(c1)[C@H](O)CCO2 1P01AKXO [0,0,0,0,1,0|2,1,0]=4 149 B13R2.162 CN1CCNc2c1nc(Cl)cc2 1P02933A [0,0,0,0,1,0|3,0,0]=4 150 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 1P003NX2 [0,0,0,0,1,0|2,0,1]=4 151 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 1P007AWR [0,0,0,0,1,0|2,0,1]=4 152 B13R2.162 Cc1ccc2c(c1)C(N)CCC2 1P002318 [0,0,0,0,1,0|2,0,0]=3 153 B13R2.162 Cc1ccc2c(c1)C(N)CCC2 1P01A402 [0,0,0,0,1,0|2,0,0]=3 154 B13R2.162 Cc1ccc2c(c1)C(N)CCO2 1P002FTJ [0,0,0,0,1,0|3,0,0]=4 155 B13R2.162 Cc1ccc2c(c1)C(N)CCO2 1P00E94J [0,0,0,0,1,0|3,0,0]=4 156 B13R2.162 Cc1ccc2c(c1)C(N)CCS2 1P01ABWZ [0,0,0,0,1,0|3,0,0]=4 157 B13R2.162 Cc1ccc2c(c1)N(C)CCN2 1P028N0U [0,0,0,0,1,0|3,0,0]=4 158 B13R2.162 Cc1ccc2c(c1)[C@@H](N)CCO2 1P001AZ5 [0,0,0,0,1,0|3,0,0]=4 159 B13R2.162 Cc1ccc2c(c1)[C@@H](O)CCC2 1P01AMAI [0,0,0,0,1,0|2,0,0]=3 160 B13R2.162 Cc1ccc2c(c1)[C@H](N)CCC2 1P01ALO1 [0,0,0,0,1,0|2,0,0]=3 161 B13R2.162 Cc1ccc2c(c1)[C@H](O)CCC2 1P01AMAN [0,0,0,0,1,0|2,0,0]=3 162 B13R2.162 Clc1ccc2c(c1)C(=O)CCC2 1P003864 [0,0,0,0,1,0|1,0,1]=3 163 B13R2.162 Clc1ccc2c(c1)C(=O)CCN2 1P00C3VE [0,0,0,0,1,0|2,0,1]=4 164 B13R2.162 Clc1ccc2c(c1)C(=O)CCO2 1P003NN1 [0,0,0,0,1,0|2,0,1]=4 165 B13R2.162 Clc1ccc2c(c1)C(=O)CCS2 1P003NNQ [0,0,0,0,1,0|2,0,1]=4 166 B13R2.162 Clc1ccc2c(c1)C(=O)NCC2 1P00C3UT [0,0,0,0,1,0|1,0,1]=3 167 B13R2.162 Clc1ccc2c(c1)C(C)CCN2 1P01DJN6 [0,0,0,0,1,0|1,0,0]=2 168 B13R2.162 Clc1ccc2c(c1)C(C)CNC2 1P01C6AT [0,0,0,0,1,0|0,0,0]=1 169 B13R2.162 Clc1ccc2c(c1)C(C)NCC2 1P0293DX [0,0,0,0,1,0|0,0,0]=1 170 B13R2.162 Clc1ccc2c(c1)C(N)CCN2 1P01AJU7 [0,0,0,0,1,0|2,0,0]=3 171 B13R2.162 Clc1ccc2c(c1)C(N)CCO2 1P002FTK [0,0,0,0,1,0|2,0,0]=3 172 B13R2.162 Clc1ccc2c(c1)C(N)CCO2 1P008QFR [0,0,0,0,1,0|2,0,0]=3 173 B13R2.162 Clc1ccc2c(c1)C(N)CCS2 1P00958W [0,0,0,0,1,0|2,0,0]=3 174 B13R2.162 Clc1ccc2c(c1)C(N)CCS2 1P01A7KE [0,0,0,0,1,0|2,0,0]=3 175 B13R2.162 Clc1ccc2c(c1)C(O)CCC2 1P00VTSR [0,0,0,0,1,0|1,0,0]=2 176 B13R2.162 Clc1ccc2c(c1)C(O)CCN2 1P0212KZ [0,0,0,0,1,0|2,0,0]=3 177 B13R2.162 Clc1ccc2c(c1)N(C)CCN2 1P00HV77 [0,0,0,0,1,0|2,0,0]=3 178 B13R2.162 Clc1ccc2c(c1)[C@@H](N)CCC2 1P009XYJ [0,0,0,0,1,0|1,0,0]=2 179 B13R2.162 Clc1ccc2c(c1)[C@@H](N)CCC2 1P01JV5W [0,0,0,0,1,0|1,0,0]=2 180 B13R2.162 Clc1ccc2c(c1)[C@@H](N)CCO2 1P00I40F [0,0,0,0,1,0|2,0,0]=3 181 B13R2.162 Clc1ccc2c(c1)[C@@H](O)CCC2 1P01BYAL [0,0,0,0,1,0|1,0,0]=2 182 B13R2.162 Clc1ccc2c(c1)[C@H](N)CCC2 1P008XVH [0,0,0,0,1,0|1,0,0]=2 183 B13R2.162 Clc1ccc2c(c1)[C@H](N)CCO2 1P0006BO [0,0,0,0,1,0|2,0,0]=3 184 B13R2.162 Clc1ccc2c(c1)[C@H](N)CCO2 1P01DTWO [0,0,0,0,1,0|2,0,0]=3 185 B13R2.162 Clc1ccc2c(c1)[C@H](O)CCC2 1P01BYAN [0,0,0,0,1,0|1,0,0]=2 186 B13R2.162 Clc1ccc2c(n1)C(=O)CCC2 1P000ZJU [0,0,0,0,1,0|2,0,1]=4 187 B13R2.162 Clc1cnc2c(c1)C(=O)CCC2 1P000XTP [0,0,0,0,1,0|2,0,1]=4 188 B13R2.162 Clc1ncc2c(c1)C(=O)CCC2 1P0092NS [0,0,0,0,1,0|2,0,1]=4 189 B13R2.162 Fc1ccc2c(c1)C(=O)CCC2 1P003860 [0,0,0,0,1,0|1,1,1]=4 190 B13R2.162 Fc1ccc2c(c1)C(=O)NCC2 1P0046TP [0,0,0,0,1,0|1,1,1]=4 191 B13R2.162 Fc1ccc2c(c1)C(C)NCC2 1P01AIA2 [0,0,0,0,1,0|0,1,0]=2 192 B13R2.162 Fc1ccc2c(c1)C(C)NCC2 1P01AJ28 [0,0,0,0,1,0|0,1,0]=2 193 B13R2.162 Fc1ccc2c(c1)C(Cl)CCC2 1P01A2NT [0,0,0,0,1,0|1,1,0]=3 194 B13R2.162 Fc1ccc2c(c1)C(N)CCC2 1P023TO8 [0,0,0,0,1,0|1,1,0]=3 195 B13R2.162 Fc1ccc2c(c1)C(N)CCO2 1P002FU9 [0,0,0,0,1,0|2,1,0]=4 196 B13R2.162 Fc1ccc2c(c1)C(N)CCO2 1P007NCZ [0,0,0,0,1,0|2,1,0]=4 197 B13R2.162 Fc1ccc2c(c1)C(N)CCS2 1P008U6Q [0,0,0,0,1,0|2,1,0]=4 198 B13R2.162 Fc1ccc2c(c1)N(C)CCN2 1P019TAX [0,0,0,0,1,0|2,1,0]=4 199 B13R2.162 Fc1ccc2c(c1)[C@@H](N)CCC2 1P01BHI5 [0,0,0,0,1,0|1,1,0]=3 200 B13R2.162 Fc1ccc2c(c1)[C@@H](N)CCO2 1P0006BP [0,0,0,0,1,0|2,1,0]=4 201 B13R2.162 Fc1ccc2c(c1)[C@@H](N)CCO2 1P000RD1 [0,0,0,0,1,0|2,1,0]=4 202 B13R2.162 Fc1ccc2c(c1)[C@@H](O)CCC2 1P01BHI7 [0,0,0,0,1,0|1,1,0]=3 203 B13R2.162 Fc1ccc2c(c1)[C@H](N)CCC2 1P01BHGP [0,0,0,0,1,0|1,1,0]=3 204 B13R2.162 Fc1ccc2c(c1)[C@H](N)CCC2 1P01BHGQ [0,0,0,0,1,0|1,1,0]=3 205 B13R2.162 Fc1ccc2c(c1)[C@H](N)CCO2 1P003CQP [0,0,0,0,1,0|2,1,0]=4 206 B13R2.162 Fc1ccc2c(c1)[C@H](O)CCC2 1P01BHI8 [0,0,0,0,1,0|1,1,0]=3 207 B13R2.162 Ic1ccc2c(c1)C(=O)CCC2 1P001DK9 [0,0,0,0,1,0|1,1,1]=4 208 B13R2.162 Nc1ccc2c(c1)C(=O)CCC2 1P003NTE [0,0,0,0,1,0|2,0,1]=4 209 B13R2.162 Nc1ccc2c(c1)C(=O)NCC2 1P00FEG7 [0,0,0,0,1,0|2,0,1]=4 210 B13R2.162 Nc1ccc2c(c1)C(=O)NCC2 1P01AJMV [0,0,0,0,1,0|2,0,1]=4 211 B13R2.162 Nc1ccc2c(c1)C(N)CCC2 1P01B8WG [0,0,0,0,1,0|2,0,0]=3 212 B13R2.162 Nc1ccc2c(c1)C(N)CCC2 1P01B93E [0,0,0,0,1,0|2,0,0]=3 213 B13R2.162 Nc1ccc2c(c1)C(O)CCC2 1P003NTB [0,0,0,0,1,0|2,0,0]=3 214 B13R2.162 Nc1ccc2c(c1)N(C)CCC2 1P0030PD [0,0,0,0,1,0|2,0,0]=3 215 B13R2.162 Nc1ccc2c(c1)N(C)CCC2 1P00IHS1 [0,0,0,0,1,0|2,0,0]=3 216 B13R2.162 Nc1ccc2c(c1)N(C)CCO2 1P019U0Q [0,0,0,0,1,0|3,0,0]=4 217 B13R2.162 Nc1ccc2c(c1)N(C)CCO2 1P028UER [0,0,0,0,1,0|3,0,0]=4 218 B13R2.162 Oc1ccc2c(c1)C(=O)CCC2 1P00BC54 [0,0,0,0,1,0|2,0,1]=4 219 B13R2.162 Oc1ccc2c(c1)C(=O)NCC2 1P00BDBV [0,0,0,0,1,0|2,0,1]=4 220 B13R2.162 Oc1ccc2c(c1)C(C)NCC2 1P01A1JU [0,0,0,0,1,0|1,0,0]=2 221 B13R2.162 Oc1ccc2c(c1)C(C)NCC2 1P01FIA4 [0,0,0,0,1,0|1,0,0]=2 222 B13R2.162 Oc1ccc2c(c1)C(O)CNC2 1P006IHS [0,0,0,0,1,0|2,0,0]=3 223 B13R2.162 Oc1ccc2c(c1)N(C)CCC2 1P01H5Q2 [0,0,0,0,1,0|2,0,0]=3 224 B13R2.162 Oc1ccc2c(c1)N(C)CCN2 1P028EMU [0,0,0,0,1,0|3,0,0]=4 225 B13R2.162 Oc1ccc2c(c1)[C@@H](N)CCO2 1P01FIA7 [0,0,0,0,1,0|3,0,0]=4 226 B13R2.162 Oc1ccc2c(c1)[C@@H](O)CCO2 1P028Q7Z [0,0,0,0,1,0|3,0,0]=4 227 B13R2.162 Oc1ccc2c(c1)[C@H](N)CCO2 1P028PWT [0,0,0,0,1,0|3,0,0]=4 228 B13R2.162 Oc1ccc2c(c1)[C@H](O)CCO2 1P028PS5 [0,0,0,0,1,0|3,0,0]=4 229 B12R1.1 BrCCCCc1ccc(cc1)Br 1P0046QW [1,0,1,0,0,0|1,1,0]=4 230 B12R1.1 BrCCCCc1ccc(cc1)C 1P01JMNG [1,0,1,0,0,0|2,0,0]=4 231 B12R1.1 BrCCCCc1ccc(cc1)Cl 1P01DW6J [1,0,1,0,0,0|1,0,0]=3 232 B12R1.1 BrCCCCc1ccc(cc1)F 1P0040AL [1,0,1,0,0,0|1,1,0]=4 233 B12R1.1 BrCCCOc1ccc(cc1)Cl 1P00BJF3 [1,0,1,0,0,0|2,0,0]=4 234 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00FC9A [1,0,1,0,0,0|0,0,2]=4 235 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00J4H4 [1,0,1,0,0,0|0,0,2]=4 236 B12R1.1 CCCCCc1ccc(cc1)Br 1P003MF5 [1,0,1,0,0,0|0,1,0]=3 237 B12R1.1 CCCCCc1ccc(cc1)F 1P002W82 [1,0,1,0,0,0|0,1,0]=3 238 B12R1.1 CCCCCc1ccc(cc1)N 1P003MF2 [1,0,1,0,0,0|1,0,0]=3 239 B12R1.1 CCCCCc1ccc(cc1)O 1P001M3J [1,0,1,0,0,0|1,0,0]=3 240 B12R1.1 CCCCCc1ccc(nc1)C 1P01EW8X [1,0,1,0,0,0|2,0,0]=4 241 B12R1.1 CCCCOc1ccc(cc1)Br 1P00BZGP [1,0,1,0,0,0|1,1,0]=4 242 B12R1.1 CCCCOc1ccc(cc1)C 1P008V5I [1,0,1,0,0,0|2,0,0]=4 243 B12R1.1 CCCCOc1ccc(cc1)I 1P0066UW [1,0,1,0,0,0|1,1,0]=4 244 B12R1.1 CCCCOc1ccc(cc1)N 1P0034FJ [1,0,1,0,0,0|2,0,0]=4 245 B12R1.1 CCCCOc1ccc(cc1)O 1P00170E [1,0,1,0,0,0|2,0,0]=4 246 B12R1.1 CCCNCc1ccc(cc1)C 1P00D4HD [1,0,1,0,0,0|1,0,0]=3 247 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00DD65 [1,0,1,0,0,0|0,0,0]=2 248 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00J23E [1,0,1,0,0,0|0,0,0]=2 249 B12R1.1 CCCNCc1ccc(cc1)F 1P003LWC [1,0,1,0,0,0|0,1,0]=3 250 B12R1.1 CCCNCc1ccc(cc1)F 1P00J4EA [1,0,1,0,0,0|0,1,0]=3 251 B12R1.1 CNCCCc1ccc(cc1)Br 1P01G05E [1,0,1,0,0,0|1,1,0]=4 252 B12R1.1 CNCCOc1ccc(cc1)Cl 1P00FHAW [1,0,1,0,0,0|2,0,0]=4 253 B12R1.1 ClCCCCc1ccc(cc1)F 1P00DK3R [1,0,1,0,0,0|1,1,0]=4 254 B12R1.1 FCCNCc1ccc(cc1)C 1P028VFG [1,0,1,0,0,0|2,0,0]=4 255 B12R1.1 ICCCCc1ccc(cc1)Br 1P01JMLM [1,0,1,0,0,0|1,1,0]=4 256 B12R1.1 ICCCCc1ccc(cc1)F 1P01JMMT [1,0,1,0,0,0|1,1,0]=4 257 B12R1.1 N#CNCCc1ccc(cc1)Cl 1P01EK7R [1,0,1,0,0,0|1,0,1]=4 258 B12R1.1 NCCCCc1ccc(cc1)Br 1P01JMFR [1,0,1,0,0,0|1,1,0]=4 259 B12R1.1 NCCCCc1ccc(cc1)Br 1P027XS3 [1,0,1,0,0,0|1,1,0]=4 260 B12R1.1 NCCCCc1ccc(cc1)Cl 1P00ER2D [1,0,1,0,0,0|1,0,0]=3 261 B12R1.1 NCCCCc1ccc(cc1)Cl 1P0289K9 [1,0,1,0,0,0|1,0,0]=3 262 B12R1.1 NCCCCc1ccc(cc1)F 1P001LTZ [1,0,1,0,0,0|1,1,0]=4 263 B12R1.1 NCCCCc1ccc(cc1)O 1P006ZWJ [1,0,1,0,0,0|2,0,0]=4 264 B12R1.1 NCCCCc1ccc(cc1)O 1P02010K [1,0,1,0,0,0|2,0,0]=4 265 B12R1.1 NCCCSc1ccc(cc1)Cl 1P007GR0 [1,0,1,0,0,0|2,0,0]=4 266 B12R1.1 NCCNCc1ccc(nc1)Cl 1P028KM6 [1,0,1,0,0,0|2,0,0]=4 267 B12R1.1 NCCOCc1ccc(cc1)Cl 1P002WP0 [1,0,1,0,0,0|2,0,0]=4 268 B12R1.1 NCCOCc1ccc(cc1)Cl 1P00J4GN [1,0,1,0,0,0|2,0,0]=4 269 B12R1.1 NCCSCc1ccc(cc1)Cl 1P00F4LM [1,0,1,0,0,0|2,0,0]=4 270 B12R1.1 NCCSCc1ccc(cc1)Cl 1P019NRM [1,0,1,0,0,0|2,0,0]=4 271 B12R1.1 OCCCCc1ccc(cc1)Br 1P005HTC [1,0,1,0,0,0|1,1,0]=4 272 B12R1.1 OCCCCc1ccc(cc1)F 1P00JSHV [1,0,1,0,0,0|1,1,0]=4 273 B12R1.1 OCCCCc1ccc(cc1)N 1P006DSA [1,0,1,0,0,0|2,0,0]=4 274 B12R1.1 OCCCCc1ccc(cc1)O 1P00GRT6 [1,0,1,0,0,0|2,0,0]=4 275 B12R1.1 OCCCNc1ccc(cc1)Cl 1P01C2XK [1,0,1,0,0,0|2,0,0]=4 276 B12R1.1 OCCNCc1ccc(cc1)Br 1P008NF2 [1,0,1,0,0,0|1,1,0]=4 277 B12R1.1 OCCNCc1ccc(cc1)C 1P0075HK [1,0,1,0,0,0|2,0,0]=4 278 B12R1.1 OCCNCc1ccc(cc1)Cl 1P00C9FX [1,0,1,0,0,0|1,0,0]=3 279 B12R1.1 OCCNCc1ccc(cc1)Cl 1P01BDQU [1,0,1,0,0,0|1,0,0]=3 280 B12R1.1 OCCNCc1ccc(cc1)F 1P0091ET [1,0,1,0,0,0|1,1,0]=4 281 B12R1.1 OCCNCc1ccc(cc1)F 1P00BCRT [1,0,1,0,0,0|1,1,0]=4 282 B12R1.1 OCCNCc1ccc(cc1)N 1P0024ZK [1,0,1,0,0,0|2,0,0]=4 283 B12R1.8 BrCCCCCc1ccccc1 1P001KHB [1,0,1,0,0,0|2,0,0]=4 284 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [1,0,1,0,0,0|0,0,2]=4 285 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [1,0,1,0,0,0|0,0,2]=4 286 B12R1.8 CCCCCC[n+]1ccccc1 1P003728 [1,0,1,0,0,0|2,0,0]=4 287 B12R1.8 CCCCCC[n+]1ccccc1 1P005HU5 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.8 CCCCCC[n+]1ccccc1 1P00DCGB [1,0,1,0,0,0|2,0,0]=4 289 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3L [1,0,1,0,0,0|2,0,0]=4 290 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3N [1,0,1,0,0,0|2,0,0]=4 291 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [1,0,1,0,0,0|1,0,0]=3 292 B12R1.8 CCCCCCc1ccccn1 1P003HTW [1,0,1,0,0,0|2,0,0]=4 293 B12R1.8 CCCCCCc1ccncc1 1P00BJCR [1,0,1,0,0,0|2,0,0]=4 294 B12R1.8 CCCCCNc1ccccc1 1P002U4M [1,0,1,0,0,0|2,0,0]=4 295 B12R1.8 CCCCCOc1ccccc1 1P00BVIQ [1,0,1,0,0,0|2,0,0]=4 296 B12R1.8 CCCCCSc1ccccc1 1P007S00 [1,0,1,0,0,0|2,0,0]=4 297 B12R1.8 CCCCNCc1ccccc1 1P003T8S [1,0,1,0,0,0|2,0,0]=4 298 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [1,0,1,0,0,0|0,0,0]=2 299 B12R1.8 CCCNCCc1ccccn1 1P003SQQ [1,0,1,0,0,0|1,0,0]=3 300 B12R1.8 CCCNOCc1ccccc1 1P028IDR [1,0,1,0,0,0|1,0,0]=3 301 B12R1.8 CCNCCCc1ccccc1 1P009K28 [1,0,1,0,0,0|2,0,0]=4 302 B12R1.8 CNCCCCc1ccccc1 1P00B8FJ [1,0,1,0,0,0|2,0,0]=4 303 B12R1.8 CNCCCCc1ccccc1 1P00D6N4 [1,0,1,0,0,0|2,0,0]=4 304 B12R1.8 ClCCCCCc1ccccc1 1P001PVB [1,0,1,0,0,0|2,0,0]=4 305 B12R1.8 NCCCCCc1ccccc1 1P0025Q4 [1,0,1,0,0,0|2,0,0]=4 306 B12R1.8 NCCCCCc1ccccc1 1P0289DF [1,0,1,0,0,0|2,0,0]=4 307 B12R1.8 NCCNOCc1ccccc1 1P01DTSG [1,0,1,0,0,0|2,0,0]=4 308 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [1,0,1,0,0,0|2,0,0]=4 309 B12R1.8 OCCCCCc1ccccc1 1P003NF3 [1,0,1,0,0,0|2,0,0]=4 310 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [1,0,1,0,0,0|1,0,0]=3 311 B12R1.8 OCCOCCc1ccccc1 1P005HXR [1,0,1,0,0,0|2,0,0]=4 312 B12R1.17 CC(c1cc(Cl)ccn1)NCC 1P028IK3 [1,0,1,0,0,0|1,0,0]=3 313 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1P00CBUD [1,0,1,0,0,0|1,0,1]=4 314 B12R1.17 CCCC(c1cccc(c1)F)N 1P00ASSL [1,0,1,0,0,0|1,1,0]=4 315 B12R1.17 CCNC(c1cccc(c1)O)C 1P019NN1 [1,0,1,0,0,0|1,0,0]=3 316 B12R1.17 CNCC(c1cccc(c1)Br)O 1P01ALNQ [1,0,1,0,0,0|1,1,0]=4 317 B12R1.17 CNCC(c1cccc(c1)C)O 1P01BNXW [1,0,1,0,0,0|2,0,0]=4 318 B12R1.17 CNCC(c1cccc(c1)O)O 1P003QB4 [1,0,1,0,0,0|2,0,0]=4 319 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P003U6B [1,0,1,0,0,0|2,0,0]=4 320 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P00IB8X [1,0,1,0,0,0|2,0,0]=4 321 B12R1.17 COCC(c1cccc(c1)Cl)N 1P01BCBA [1,0,1,0,0,0|2,0,0]=4 322 B12R1.17 COC[C@H](c1cccc(c1)Cl)N 1P01KLPI [1,0,1,0,0,0|2,0,0]=4 323 B12R1.17 OCCC(c1cccc(c1)Cl)N 1P005Z1V [1,0,1,0,0,0|2,0,0]=4 324 B12R1.17 OCCC(c1cccc(c1)Cl)O 1P0037LE [1,0,1,0,0,0|2,0,0]=4 325 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)N 1P009ZWB [1,0,1,0,0,0|2,0,0]=4 326 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)O 1P00ELIZ [1,0,1,0,0,0|2,0,0]=4 327 B12R1.17 OCC[C@H](c1cccc(c1)Cl)N 1P009BQF [1,0,1,0,0,0|2,0,0]=4 328 B12R1.28 BrCCCCc1cccc(c1)Cl 1P01B7XZ [1,0,1,0,0,0|2,0,0]=4 329 B12R1.28 CCCCCc1cccc(c1)F 1P002W83 [1,0,1,0,0,0|1,1,0]=4 330 B12R1.28 CCCCCc1cccc(c1)O 1P002DAK [1,0,1,0,0,0|2,0,0]=4 331 B12R1.28 CCCNCc1cccc(c1)Cl 1P00C90B [1,0,1,0,0,0|2,0,0]=4 332 B12R1.28 CCCNCc1cccc(c1)Cl 1P00J4HV [1,0,1,0,0,0|2,0,0]=4 333 B12R1.28 CNCCCc1cccc(c1)Cl 1P01S7LU [1,0,1,0,0,0|2,0,0]=4 334 B12R1.28 NCCCCc1cccc(c1)Cl 1P01JMGB [1,0,1,0,0,0|2,0,0]=4 335 B12R1.28 OCCCCc1cccc(c1)Cl 1P01B7CS [1,0,1,0,0,0|2,0,0]=4 336 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [1,0,1,0,0,0|2,0,0]=4 337 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [1,0,1,0,0,0|2,0,0]=4 338 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [1,0,1,0,0,0|2,0,0]=4 339 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [1,0,1,0,0,0|2,0,0]=4 340 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [1,0,1,0,0,0|2,0,0]=4 341 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [1,0,1,0,0,0|1,0,0]=3 342 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [1,0,1,0,0,0|2,0,0]=4 343 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [1,0,1,0,0,0|2,0,0]=4 344 B12R1.69 CNCCc1ccc(cc1Cl)Cl 1P00FZP2 [1,0,1,0,0,0|1,0,0]=3 345 B12R1.69 CNCCc1ccc(cc1Cl)Cl 1P028BMX [1,0,1,0,0,0|1,0,0]=3 346 B12R1.69 CNCCc1ccc(cc1F)F 1P01DYY1 [1,0,1,0,0,0|1,1,0]=4 347 B12R1.69 CNCCc1ccc(cc1F)F 1P01JLQU [1,0,1,0,0,0|1,1,0]=4 348 B12R1.112 BrCCc1ccc(cc1OC)Cl 1P0201AB [1,0,1,0,0,0|2,0,0]=4 349 B12R1.112 CCOc1ccc(cc1CC)Br 1P0057WM [1,0,1,0,0,0|1,1,0]=4 350 B12R1.112 CNCc1ccc(cc1OC)Br 1P027X2Q [1,0,1,0,0,0|1,1,0]=4 351 B12R1.112 CNCc1ccc(cc1OC)F 1P028T3K [1,0,1,0,0,0|1,1,0]=4 352 B12R1.112 CNCc1ccc(nc1OC)Cl 1P028Y52 [1,0,1,0,0,0|2,0,0]=4 353 B12R1.112 NCCc1ccc(cc1OC)Br 1P028IPR [1,0,1,0,0,0|1,1,0]=4 354 B12R1.112 NCCc1ccc(cc1OC)F 1P028XNP [1,0,1,0,0,0|1,1,0]=4 355 B12R1.121 CNCCc1ccccc1C#N 1P028GC2 [1,0,1,0,0,0|1,0,1]=4 356 B12R1.121 CNCCc1ccccc1OC 1P0092SV [1,0,1,0,0,0|1,0,0]=3 357 B12R1.46 BrCc1ccc(cc1N(C)C)Cl 1P0287T8 [1,0,1,0,0,0|2,0,0]=4 358 B12R1.46 CCc1ccc(cc1C(C)C)I 1P0284EJ [1,0,1,0,0,0|0,1,0]=3 359 B12R1.46 COc1ccc(cc1C(C)C)C 1P007JFS [1,0,1,0,0,0|2,0,0]=4 360 B12R1.46 COc1ccc(cc1C(C)C)N 1P006DSB [1,0,1,0,0,0|2,0,0]=4 361 B12R1.46 COc1ccc(cc1C(Cl)C)Cl 1P028RGW [1,0,1,0,0,0|2,0,0]=4 362 B12R1.46 COc1ccc(cc1C(N)C)C 1P007YLT [1,0,1,0,0,0|2,0,0]=4 363 B12R1.46 COc1ccc(cc1C(N)C)Cl 1P00CNDD [1,0,1,0,0,0|1,0,0]=3 364 B12R1.46 COc1ccc(cc1C(N)C)F 1P019VHD [1,0,1,0,0,0|1,1,0]=4 365 B12R1.46 COc1ccc(cc1C(O)C)Cl 1P00VUE5 [1,0,1,0,0,0|2,0,0]=4 366 B12R1.46 COc1ccc(cc1[C@@H](N)C)C 1P01C33G [1,0,1,0,0,0|2,0,0]=4 367 B12R1.46 COc1ccc(cc1[C@@H](N)C)F 1P028DBW [1,0,1,0,0,0|1,1,0]=4 368 B12R1.46 COc1ccc(cc1[C@H](N)C)C 1P01C33F [1,0,1,0,0,0|2,0,0]=4 369 B12R1.46 NCc1ccc(cc1N(C)C)C 1P019ZG0 [1,0,1,0,0,0|2,0,0]=4 370 B12R1.46 OCc1ccc(cc1N(C)C)Cl 1P028JH6 [1,0,1,0,0,0|2,0,0]=4 371 B12R1.283 CNCc1ccccc1C(C)C 1P028J56 [1,0,1,0,0,0|2,0,0]=4 372 B12R1.283 N#CCc1ccccc1C(C)C 1P01KWYB [1,0,1,0,0,0|0,0,2]=4 373 B12R1.283 NCCc1cccnc1N(C)C 1P027WVM [1,0,1,0,0,0|2,0,0]=4 374 B12R1.283 NNCc1ccccc1N(C)C 1P00G52D [1,0,1,0,0,0|2,0,0]=4 375 B12R1.308 CCCC(c1ccccc1C)N 1P01AT9E [1,0,1,0,0,0|2,0,0]=4 376 B12R1.308 CCC[C@H](c1ccccc1C)N 1P001TCR [1,0,1,0,0,0|2,0,0]=4 377 B12R1.308 CCC[C@H](c1ccccc1C)N 1P00FAMU [1,0,1,0,0,0|2,0,0]=4 378 B12R1.308 CNCC(c1ccccc1Br)O 1P01ALNO [1,0,1,0,0,0|2,0,0]=4 379 B12R1.308 CONC(c1ccccc1C)C 1P01BCYZ [1,0,1,0,0,0|2,0,0]=4 380 B12R1.354 CC(c1cc(F)ccc1F)NC 1P019MEI [1,0,1,0,0,0|1,1,0]=4 381 B12R1.354 CC(c1cc(N)ccc1O)CC 1P01FIA5 [1,0,1,0,0,0|2,0,0]=4 382 B12R1.354 CCC(c1cc(C)ccc1C)N 1P01BXX4 [1,0,1,0,0,0|2,0,0]=4 383 B12R1.354 CCC(c1cc(Cl)ccc1Cl)N 1P00J1AK [1,0,1,0,0,0|2,0,0]=4 384 B12R1.354 CNC(c1cc(C)ccc1C)C 1P01AKAM [1,0,1,0,0,0|1,0,0]=3 385 B12R1.354 Cc1ccc(cc1C(=O)CC)Cl 1P000J4K [1,0,1,0,0,0|1,0,1]=4 386 B12R1.354 Cc1ccc(cc1C(CC)O)Cl 1P019FBQ [1,0,1,0,0,0|1,0,0]=3 387 B12R1.77 CCC(c1ccccc1CCl)C 1P029021 [1,0,1,0,0,0|2,0,0]=4 388 B12R1.77 CCC(c1ccccc1CO)C 1P027X03 [1,0,1,0,0,0|2,0,0]=4 389 B12R1.77 NCC(=O)c1ccccc1CC 1P0280NB [1,0,1,0,0,0|1,0,1]=4 390 B12R1.77 NCC(c1ccccc1OC)C 1P00ADJL [1,0,1,0,0,0|1,0,0]=3 391 B12R1.77 NCC(c1ccccc1OC)C 1P0283IZ [1,0,1,0,0,0|1,0,0]=3 392 B12R1.77 NCC(c1ccccc1OC)N 1P01AI94 [1,0,1,0,0,0|2,0,0]=4 393 B12R1.77 NCC(c1ccccc1OC)N 1P028R6S [1,0,1,0,0,0|2,0,0]=4 394 B12R1.77 NCC(c1ccccc1OC)O 1P004QTR [1,0,1,0,0,0|2,0,0]=4 395 B12R1.77 NCC(c1ccccc1OC)O 1P00DNJ8 [1,0,1,0,0,0|2,0,0]=4 396 B12R1.77 NC[C@@H](c1ccccc1OC)O 1P01B70K [1,0,1,0,0,0|2,0,0]=4 397 B12R1.77 NC[C@H](c1ccccc1OC)O 1P01B7KW [1,0,1,0,0,0|2,0,0]=4 398 B12R1.268 COc1ccc(cc1CCN)Br 1P019SIV [1,0,1,0,0,0|1,1,0]=4 399 B12R1.268 COc1ccc(cc1CCN)Cl 1P008LF3 [1,0,1,0,0,0|1,0,0]=3 400 B12R1.268 COc1ccc(cc1CCN)Cl 1P01AI4Y [1,0,1,0,0,0|1,0,0]=3 401 B12R1.268 COc1ccc(cc1CCN)F 1P00016F [1,0,1,0,0,0|1,1,0]=4 402 B12R1.268 COc1ccc(cc1CCO)Cl 1P01EXRG [1,0,1,0,0,0|2,0,0]=4 403 B12R1.268 COc1ccc(cc1CNN)Cl 1P01XDFH [1,0,1,0,0,0|2,0,0]=4 404 B12R1.268 NCCc1cc(C)ccc1OC 1P00DIX0 [1,0,1,0,0,0|2,0,0]=4 405 B12R2.41 C1CNc2c(CC1)cccc2 1P00HZTY [2,0,0,0,0,0|2,0,0]=4 406 B12R2.41 C1CNc2c(CC1)cccc2 1P01DU88 [2,0,0,0,0,0|2,0,0]=4 407 B12R2.41 C1NCc2c(CC1)cccc2 1P0025NW [2,0,0,0,0,0|2,0,0]=4 408 B12R2.41 C1NCc2c(CC1)cccc2 1P003FUB [2,0,0,0,0,0|2,0,0]=4 409 B12R2.41 N1CCc2c(CC1)cccc2 1P001ZMY [2,0,0,0,0,0|0,0,0]=2 410 B12R2.41 N1CCc2c(CC1)cccc2 1P0072PZ [2,0,0,0,0,0|0,0,0]=2 411 B12R2.41 N1CCc2c(CC1)cccn2 1P00HGF7 [2,0,0,0,0,0|1,0,0]=3 412 B12R2.41 N1CCc2c(CC1)cncn2 1P007IMK [2,0,0,0,0,0|2,0,0]=4 413 B14R1.13 ClCC(=O)NCCc1ccc(cc1)Cl 1P007ADV [0,1,1,0,0,0|1,0,1]=4 414 B14R1.14 CCCCCCCc1ccc(cc1)Br 1P003BHX [0,1,1,0,0,0|1,1,0]=4 415 B14R1.14 CCCCCCCc1ccc(cc1)N 1P003LXF [0,1,1,0,0,0|2,0,0]=4 416 B14R1.14 CCCCCCCc1ccc(cc1)O 1P002C6D [0,1,1,0,0,0|2,0,0]=4 417 B14R1.14 CCCCCCNc1ccc(cc1)Br 1P01AK7G [0,1,1,0,0,0|1,1,0]=4 418 B14R1.14 CCCCCCOc1ccc(cc1)Br 1P0031MQ [0,1,1,0,0,0|1,1,0]=4 419 B14R1.14 CCCCCCOc1ccc(cc1)N 1P003KP4 [0,1,1,0,0,0|2,0,0]=4 420 B14R1.14 CCCCCCOc1ccc(cc1)O 1P002EFU [0,1,1,0,0,0|2,0,0]=4 421 B14R1.14 CCCCCNCc1ccc(cc1)Cl 1P019OAU [0,1,1,0,0,0|1,0,0]=3 422 B14R1.14 CCCCCNCc1ccc(cc1)F 1P00G7Z0 [0,1,1,0,0,0|1,1,0]=4 423 B14R1.14 OCCNCCOc1ccc(cc1)Cl 1P00J46O [0,1,1,0,0,0|1,0,0]=3 424 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1P005NLJ [0,1,1,0,0,0|1,0,1]=4 425 B14R1.19 OCCNCC(c1ccc(cc1)Br)O 1P01B32P [0,1,1,0,0,0|1,1,0]=4 426 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 1P01S6OO [0,1,1,0,0,0|0,1,1]=4 427 B14R1.502 CCOC(=O)CCc1ccc(cc1)Cl 1P00FCG4 [0,1,1,0,0,0|2,0,0]=4 428 B14R1.677 CC(CNCCc1ccc(cc1)Cl)Cl 1P00IJH5 [0,1,1,0,0,0|0,0,0]=2 429 B14R1.677 CC(CNCCc1ccc(cc1)Cl)O 1P004ZNZ [0,1,1,0,0,0|0,0,0]=2 430 B14R1.677 CC(CNCCc1ccc(cc1)F)C 1P019MAC [0,1,1,0,0,0|0,1,0]=3 431 B14R1.774 CCCCCCc1ccc(cc1O)O 1P003LXO [0,1,1,0,0,0|2,0,0]=4 432 B14R1.776 CCCCCCc1ccc(cc1)C#C 1P003EQV [0,1,1,0,0,0|2,0,0]=4 433 B14R1.776 CCCCCCc1ccc(cc1)NN 1P000RDW [0,1,1,0,0,0|2,0,0]=4 434 B14R1.36 CCNC(C(=O)c1cccc(c1)Cl)C 1P01EQ47 [0,1,1,0,0,0|1,0,1]=4 435 B14R1.126 CCCCC(c1cccc(c1)Br)(N)C 1P01BH7Q [0,1,1,0,0,0|1,1,0]=4 436 B14R1.941 CCCNC(c1ccc(c(c1)Cl)Cl)C 1P019VQS [0,1,1,0,0,0|2,0,0]=4 437 B14R1.461 CCCCCc1ccc(cc1CC)Br 1P01XCL0 [0,1,1,0,0,0|1,1,0]=4 438 B14R1.1354 CCCOc1ccc(cc1CCN)Cl 1P0290YA [0,1,1,0,0,0|2,0,0]=4 439 B14R2.380 NC1CCCc2c(C1)cc(Br)cc2 1P01FJ22 [1,1,0,0,0,0|1,1,0]=4 440 B14R2.380 Oc1cc2CC(=O)NCCc2cc1 1P01EN3C [1,1,0,0,0,0|1,0,1]=4 441 B14R2.2400 COc1ccc2c(c1)CCNCC2 1P00254J [1,1,0,0,0,0|1,0,0]=3 442 B14R2.2400 N#Cc1ccc2c(n1)CCNCC2 1P01B1LI [1,1,0,0,0,0|2,0,0]=4 443 B14R2.2400 N#Cc1ccc2c(n1)CCNCC2 1P01BGXY [1,1,0,0,0,0|2,0,0]=4 444 B14R2.8719 Brc1ccc2c(c1)CCCCC2N 1P01B7AB [1,1,0,0,0,0|1,1,0]=4 445 B14R2.8719 Brc1ccc2c(c1)CCCCC2O 1P01EMXU [1,1,0,0,0,0|1,1,0]=4 446 B14R2.8719 Clc1ccc2c(c1)CCCCC2=O 1P00C3UK [1,1,0,0,0,0|1,0,1]=4 447 B14R2.8719 Clc1ccc2c(c1)OCCCC2N 1P01A55S [1,1,0,0,0,0|2,0,0]=4 448 B14R2.279 CC1CCCc2c(C1N)cccc2 1P01ACI2 [1,1,0,0,0,0|2,0,0]=4 449 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P006WKX [1,1,0,0,0,0|1,0,1]=4 450 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P01XCJL [1,1,0,0,0,0|1,0,1]=4 451 B14R2.287 NC1CCC(c2c(C1)cccc2)C 1P01FKAM [1,1,0,0,0,0|1,0,0]=3 452 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [1,1,0,0,0,0|1,0,1]=4 453 B14R2.685 OC1CCCCc2c1cccc2Br 1P01BI3Y [1,1,0,0,0,0|2,0,0]=4 454 B14R2.2014 BrCC1CCCCc2c1cccc2 1P0283AG [1,1,0,0,0,0|1,0,0]=3 455 B14R2.2014 CNC1CCCNc2c1cccc2 1P01DW7F [1,1,0,0,0,0|2,0,0]=4 456 B14R2.2014 COC1CNCCc2c1cccc2 1P028JHY [1,1,0,0,0,0|0,0,0]=2 457 B14R2.2014 NCC1CCCCc2c1cccc2 1P028SUO [1,1,0,0,0,0|1,0,0]=3 458 B14R2.2014 O=CC1CCCCc2c1cccc2 1P019ZVB [1,1,0,0,0,0|1,0,1]=4 459 B14R2.2014 OCC1CCCCc2c1cccc2 1P0282XM [1,1,0,0,0,0|1,0,0]=3 460 B14R2.4510 CN1CCCC(c2c1cccc2)N 1P01FKRU [1,1,0,0,0,0|2,0,0]=4 461 B14R2.5495 CC1(C)CCCNc2c1cccc2 1P01A3OK [1,1,0,0,0,0|2,0,0]=4 462 B14R2.5495 CC1(C)CNCCc2c1cccc2 1P01B5DO [1,1,0,0,0,0|0,0,0]=2 463 B14R2.142 COc1ccc2c(c1)C(C)NCC2 1P00VSTB [0,1,0,0,1,0|1,0,0]=3 464 B14R2.142 COc1ccc2c(c1)C(C)NCC2 1P028LXR [0,1,0,0,1,0|1,0,0]=3 465 B14R2.142 COc1ccc2c(c1)C(N)CCC2 1P00829M [0,1,0,0,1,0|2,0,0]=4 466 B14R2.142 COc1ccc2c(c1)C(N)CCC2 1P00DLY6 [0,1,0,0,1,0|2,0,0]=4 467 B14R2.142 COc1ccc2c(c1)[C@@H](N)CCC2 1P01A28H [0,1,0,0,1,0|2,0,0]=4 468 B14R2.142 COc1ccc2c(c1)[C@@H](O)CCC2 1P019RPO [0,1,0,0,1,0|2,0,0]=4 469 B14R2.142 COc1ccc2c(c1)[C@H](N)CCC2 1P00A04C [0,1,0,0,1,0|2,0,0]=4 470 B14R2.142 COc1ccc2c(c1)[C@H](O)CCC2 1P019RPN [0,1,0,0,1,0|2,0,0]=4 471 B14R2.4513 CN1C(=O)CCc2c1cc(Cl)cc2 1P01C56K [0,1,0,0,1,0|1,0,1]=4 472 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CCC2 1P021LKS [0,1,0,0,1,0|0,1,0]=3 473 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CCN2 1P007LPZ [0,1,0,0,1,0|1,1,0]=4 474 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CCN2 1P00931B [0,1,0,0,1,0|1,1,0]=4 475 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CCS2 1P007V65 [0,1,0,0,1,0|1,1,0]=4 476 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CNC2 1P0097Y3 [0,1,0,0,1,0|0,1,0]=3 477 B14R2.4536 Brc1ccc2c(c1)C(C)(C)CNC2 1P009MCE [0,1,0,0,1,0|0,1,0]=3 478 B14R2.4536 Brc1ccc2c(c1)C(F)(F)CNC2 1P02829Q [0,1,0,0,1,0|1,1,0]=4 479 B14R2.4536 Cc1ccc2c(c1)C(C)(C)CCN2 1P00CLF5 [0,1,0,0,1,0|2,0,0]=4 480 B14R2.4536 Clc1ccc2c(c1)C(C)(C)CCS2 1P01CAN3 [0,1,0,0,1,0|1,0,0]=3 481 B14R2.4536 O=c1ccc2c([nH]1)C(C)(C)CNC2 1P028B6W [0,1,0,0,1,0|2,0,0]=4 482 B14R2.4536 Oc1ccc2c(c1)C(C)(C)CCC2 1P006D6Q [0,1,0,0,1,0|1,0,0]=3 483 B14R2.4536 Oc1ccc2c(c1)C(C)(C)CCS2 1P02924A [0,1,0,0,1,0|2,0,0]=4 484 B14R2.8045 Brc1cc2C(C)NCCc2c(c1)Cl 1P027VBD [0,1,0,0,1,0|0,1,0]=3 485 B14R2.8045 Brc1cc2C(N)CCCc2c(c1)C 1P002317 [0,1,0,0,1,0|1,1,0]=4 486 B14R2.8045 Clc1cc(Br)c2c(c1)C(=O)NCC2 1P01ACIM [0,1,0,0,1,0|1,0,1]=4 487 B14R2.8045 Clc1cc(C)c2c(c1)C(=O)CCC2 1P01DUMB [0,1,0,0,1,0|1,0,1]=4 488 B14R2.8045 Clc1cc(Cl)c2c(c1)C(=O)CCC2 1P01FN8F [0,1,0,0,1,0|1,0,1]=4 489 B14R2.8045 Clc1cc(F)c2c(c1)C(=O)CCC2 1P028F0W [0,1,0,0,1,0|1,0,1]=4 490 B14R2.8045 Clc1cc2C(C)NCCc2c(c1)Cl 1P019ZSM [0,1,0,0,1,0|0,0,0]=2 491 B14R2.8045 Clc1cc2C(C)NCCc2c(c1)F 1P02814X [0,1,0,0,1,0|0,0,0]=2 492 B14R2.8045 Clc1cc2C(N)CCCc2c(c1)Cl 1P0048T1 [0,1,0,0,1,0|1,0,0]=3 493 B14R2.8045 Clc1cc2C(N)CCCc2c(c1)F 1P01C2M1 [0,1,0,0,1,0|1,0,0]=3 494 B14R2.8045 Clc1cc2C(N)CCOc2c(c1)Cl 1P028V1T [0,1,0,0,1,0|2,0,0]=4 495 B14R2.8045 Clc1cc2[C@@H](N)CCOc2c(c1)Cl 1P01XCQ7 [0,1,0,0,1,0|2,0,0]=4 496 B14R2.8045 Fc1cc2C(C)NCCc2c(c1)Br 1P027VEF [0,1,0,0,1,0|0,1,0]=3 497 B14R2.8045 Fc1cc2C(C)NCCc2c(c1)Cl 1P027V6Q [0,1,0,0,1,0|0,1,0]=3 498 B14R2.8045 Fc1cc2C(C)NCCc2c(c1)F 1P01A04V [0,1,0,0,1,0|0,1,0]=3 499 B14R2.8045 Fc1cc2C(C)NCCc2c(c1)F 1P01AEVV [0,1,0,0,1,0|0,1,0]=3 500 B14R2.8045 Fc1cc2C(N)CCCc2c(c1)F 1P00GS30 [0,1,0,0,1,0|1,1,0]=4 501 B14R2.8045 Fc1cc2[C@@H](N)CCCc2c(c1)F 1P01ALVI [0,1,0,0,1,0|1,1,0]=4 502 B14R2.8045 Fc1cc2[C@@H](O)CCCc2c(c1)F 1P01ANGD [0,1,0,0,1,0|1,1,0]=4 503 B14R2.8045 Fc1cc2[C@H](N)CCCc2c(c1)F 1P01ANGA [0,1,0,0,1,0|1,1,0]=4 504 B14R2.8045 Fc1cc2[C@H](O)CCCc2c(c1)F 1P01ANGE [0,1,0,0,1,0|1,1,0]=4 505 B14R2.11684 CCN1CCCc2c1cc(N)cc2 1P0030FQ [0,1,0,0,1,0|2,0,0]=4 506 B14R2.11684 CNC1CCCc2c1cc(Br)cc2 1P027VQC [0,1,0,0,1,0|0,1,0]=3 507 B14R2.11684 CNC1CCOc2c1cc(Br)cc2 1P01AVGU [0,1,0,0,1,0|1,1,0]=4 508 B14R2.11684 CNC1CCOc2c1cc(F)cc2 1P028ZS8 [0,1,0,0,1,0|1,1,0]=4 509 B14R2.11684 CNC1CCSc2c1cc(Br)cc2 1P01AB7K [0,1,0,0,1,0|1,1,0]=4 510 B14R2.11684 Clc1cc2C(CCOc2cc1)C#N 1P028ZQU [0,1,0,0,1,0|1,0,1]=4 511 B14R2.11684 N#CC1CNCc2c1cc(Br)cc2 1P028A6M [0,1,0,0,1,0|0,1,1]=4 512 B14R2.11684 NCC1CCOc2c1cc(Br)cc2 1P028N7S [0,1,0,0,1,0|1,1,0]=4 513 B14R2.11684 OCC1NCCc2c1cc(Br)cc2 1P028L8H [0,1,0,0,1,0|0,1,0]=3 514 B14R2.28472 CC1NCCc2c1cc(Cl)c(c2)Cl 1P019ZUC [0,1,0,0,1,0|0,0,0]=2 515 B14R2.28472 CC1NCCc2c1cc(Cl)c(c2)Cl 1P01A4VO [0,1,0,0,1,0|0,0,0]=2 516 B14R2.28472 CC1NCCc2c1cc(F)c(c2)F 1P028NI4 [0,1,0,0,1,0|0,1,0]=3 517 B14R2.28472 CC1NCCc2c1cc(O)c(c2)O 1P003EXK [0,1,0,0,1,0|1,0,0]=3 518 B14R2.28472 NC1CCCc2c1cc(F)c(c2)F 1P029266 [0,1,0,0,1,0|1,1,0]=4 519 B14R2.28472 O=C1CCCc2c1cc(Cl)c(c2)Cl 1P002QX5 [0,1,0,0,1,0|1,0,1]=4 520 B14R2.28472 O=C1CCCc2c1cc(Cl)c(c2)F 1P01KY54 [0,1,0,0,1,0|1,0,1]=4 521 B14R2.28523 CC1NCCc2c1c(F)c(cc2)Cl 1P0291WC [0,1,0,0,1,0|0,0,0]=2 522 B14R2.28523 OC1CCCc2c1c(F)c(nc2)Cl 1P01FMM7 [0,1,0,0,1,0|2,0,0]=4 523 B16R2.203535 COc1ccc2c(c1)C(C)C(=O)NCC2 1P027Z4P [0,2,0,0,0,0|1,0,1]=4 524 B16R2.7471 O=NN1CCc2c([C@H](C1)C)cc(cc2)Cl 1P028SDZ [0,2,0,0,0,0|0,0,0]=2 525 B14R2.68 Brc1ccc(cc1)C2CCCCC2 1P002QYJ [0,0,1,1,0,0|1,1,0]=4 526 B14R2.68 Brc1ccc(cc1)C2CCCNC2 1P0092X4 [0,0,1,1,0,0|0,1,0]=3 527 B14R2.68 Brc1ccc(cc1)C2NCCNC2 1P0039GH [0,0,1,1,0,0|1,1,0]=4 528 B14R2.68 Brc1ccc(cc1)C2OCCNC2 1P00G4I3 [0,0,1,1,0,0|1,1,0]=4 529 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCNC2 1P00A1ZH [0,0,1,1,0,0|0,1,0]=3 530 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCNC2 1P024HUM [0,0,1,1,0,0|0,1,0]=3 531 B14R2.68 Brc1ccc(cc1)[C@@H]2OCCNC2 1P01XACN [0,0,1,1,0,0|1,1,0]=4 532 B14R2.68 Brc1ccc(cc1)[C@H]2CCCNC2 1P00A1ZI [0,0,1,1,0,0|0,1,0]=3 533 B14R2.68 Brc1ccc(cc1)[C@H]2OCCNC2 1P024TRZ [0,0,1,1,0,0|1,1,0]=4 534 B14R2.68 Brc1ccc(nc1)C2CCCNC2 1P0282OR [0,0,1,1,0,0|1,1,0]=4 535 B14R2.68 Cc1ccc(cc1)C2CCCCC2 1P003BC5 [0,0,1,1,0,0|2,0,0]=4 536 B14R2.68 Cc1ccc(cc1)C2NCCNC2 1P01KL6C [0,0,1,1,0,0|2,0,0]=4 537 B14R2.68 Cc1ccc(cc1)C2OCCNC2 1P00FI02 [0,0,1,1,0,0|2,0,0]=4 538 B14R2.68 Clc1ccc(cc1)C2CCCCN2 1P0096QG [0,0,1,1,0,0|2,0,0]=4 539 B14R2.68 Clc1ccc(cc1)C2CCCCN2 1P01AV4G [0,0,1,1,0,0|2,0,0]=4 540 B14R2.68 Clc1ccc(cc1)C2CCCNC2 1P00DDNA [0,0,1,1,0,0|0,0,0]=2 541 B14R2.68 Clc1ccc(cc1)C2CCNCC2 1P00FBCP [0,0,1,1,0,0|2,0,0]=4 542 B14R2.68 Clc1ccc(cc1)C2CCNCC2 1P00I5JY [0,0,1,1,0,0|2,0,0]=4 543 B14R2.68 Clc1ccc(cc1)C2NCCNC2 1P00HF1W [0,0,1,1,0,0|1,0,0]=3 544 B14R2.68 Clc1ccc(cc1)C2NCCOC2 1P0096NM [0,0,1,1,0,0|2,0,0]=4 545 B14R2.68 Clc1ccc(cc1)C2NCCSC2 1P01AJD8 [0,0,1,1,0,0|2,0,0]=4 546 B14R2.68 Clc1ccc(cc1)C2OCCNC2 1P00VT0Q [0,0,1,1,0,0|1,0,0]=3 547 B14R2.68 Clc1ccc(cc1)C2OCCNC2 1P01B533 [0,0,1,1,0,0|1,0,0]=3 548 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCCN2 1P009GIV [0,0,1,1,0,0|2,0,0]=4 549 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCCN2 1P00IXZL [0,0,1,1,0,0|2,0,0]=4 550 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCNC2 1P00A1ZL [0,0,1,1,0,0|0,0,0]=2 551 B14R2.68 Clc1ccc(cc1)[C@@H]2NCCNC2 1P028J2T [0,0,1,1,0,0|1,0,0]=3 552 B14R2.68 Clc1ccc(cc1)[C@@H]2OCCNC2 1P01AN4R [0,0,1,1,0,0|1,0,0]=3 553 B14R2.68 Clc1ccc(cc1)[C@H]2CCCCN2 1P01KLIM [0,0,1,1,0,0|2,0,0]=4 554 B14R2.68 Clc1ccc(cc1)[C@H]2CCCNC2 1P00A1ZM [0,0,1,1,0,0|0,0,0]=2 555 B14R2.68 Clc1ccc(cc1)[C@H]2NCCNC2 1P024ULS [0,0,1,1,0,0|1,0,0]=3 556 B14R2.68 Clc1ccc(cc1)[C@H]2OCCNC2 1P01ANBN [0,0,1,1,0,0|1,0,0]=3 557 B14R2.68 Clc1ccc(cc1)[C@H]2OCCNC2 1P01ANBO [0,0,1,1,0,0|1,0,0]=3 558 B14R2.68 Clc1ccc(nc1)C2CNCCO2 1P028Z7W [0,0,1,1,0,0|2,0,0]=4 559 B14R2.68 Fc1ccc(cc1)C2CCCNC2 1P008S5Z [0,0,1,1,0,0|0,1,0]=3 560 B14R2.68 Fc1ccc(cc1)C2CCCNC2 1P00FB1P [0,0,1,1,0,0|0,1,0]=3 561 B14R2.68 Fc1ccc(cc1)C2NCCNC2 1P00IBZE [0,0,1,1,0,0|1,1,0]=4 562 B14R2.68 Fc1ccc(cc1)C2OCCNC2 1P00VT0O [0,0,1,1,0,0|1,1,0]=4 563 B14R2.68 Fc1ccc(cc1)[C@H]2NCCNC2 1P028J77 [0,0,1,1,0,0|1,1,0]=4 564 B14R2.68 Fc1ccc(cn1)C2CCCNC2 1P01EJM9 [0,0,1,1,0,0|1,1,0]=4 565 B14R2.68 Ic1ccc(cc1)C2CCCCC2 1P022LDN [0,0,1,1,0,0|1,1,0]=4 566 B14R2.68 Nc1ccc(cc1)C2CCCCC2 1P003LQH [0,0,1,1,0,0|2,0,0]=4 567 B14R2.68 Nc1ccc(cc1)C2CCCNC2 1P002B7V [0,0,1,1,0,0|1,0,0]=3 568 B14R2.68 Nc1ccc(cc1)C2OCCNC2 1P01DVNI [0,0,1,1,0,0|2,0,0]=4 569 B14R2.68 Nc1ccc(cn1)C2CCCNC2 1P01BK40 [0,0,1,1,0,0|2,0,0]=4 570 B14R2.68 Oc1ccc(cc1)C2CCCCC2 1P003LQJ [0,0,1,1,0,0|2,0,0]=4 571 B14R2.68 Oc1ccc(cc1)C2CCCNC2 1P021VD2 [0,0,1,1,0,0|1,0,0]=3 572 B14R2.68 Sc1ccc(cc1)C2CCCCC2 1P0027WY [0,0,1,1,0,0|2,0,0]=4 573 B14R2.72 Brc1ccc(cc1)CC2CCCN2 1P007AR9 [0,0,1,1,0,0|0,1,0]=3 574 B14R2.72 Brc1ccc(cc1)CC2CCCN2 1P0092UY [0,0,1,1,0,0|0,1,0]=3 575 B14R2.72 Cc1ccc(cc1)CC2CCCN2 1P00I808 [0,0,1,1,0,0|1,0,0]=3 576 B14R2.72 Clc1ccc(cc1)CC2CCCN2 1P00IC15 [0,0,1,1,0,0|0,0,0]=2 577 B14R2.72 Clc1ccc(cc1)NC2CCCC2 1P01AYEX [0,0,1,1,0,0|2,0,0]=4 578 B14R2.72 Fc1ccc(cc1)CC2CCCN2 1P008XQV [0,0,1,1,0,0|0,1,0]=3 579 B14R2.72 Fc1ccc(cc1)CC2CCCN2 1P00BZ4B [0,0,1,1,0,0|0,1,0]=3 580 B14R2.72 Nc1ccc(cc1)CC2CCCC2 1P01KKKX [0,0,1,1,0,0|2,0,0]=4 581 B14R2.926 CC1CNCC1c2ccc(cc2)Br 1P01BW79 [0,0,1,1,0,0|0,1,0]=3 582 B14R2.926 NC1CCCC1c2ccc(cc2)Cl 1P01ALEN [0,0,1,1,0,0|2,0,0]=4 583 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(cc2)Cl 1P0292Q5 [0,0,1,1,0,0|2,0,0]=4 584 B14R2.951 Clc1ccc(cc1)OCCC2CC2 1P028IGT [0,0,1,1,0,0|2,0,0]=4 585 B14R2.951 Fc1ccc(cc1)CCNC2CC2 1P01AJI1 [0,0,1,1,0,0|0,1,0]=3 586 B14R2.21 Brc1cccc(c1)C2CCCCC2 1P002CG8 [0,0,1,1,0,0|1,1,0]=4 587 B14R2.21 Brc1cccc(c1)C2CNCCO2 1P01A8U4 [0,0,1,1,0,0|1,1,0]=4 588 B14R2.21 Cc1cccc(c1)C2CCCNC2 1P008V3R [0,0,1,1,0,0|1,0,0]=3 589 B14R2.21 Cc1cccc(c1)C2CNCCN2 1P008P9N [0,0,1,1,0,0|2,0,0]=4 590 B14R2.21 Clc1cccc(c1)C2CCCCN2 1P00I80G [0,0,1,1,0,0|2,0,0]=4 591 B14R2.21 Clc1cccc(c1)C2CCNCC2 1P005T77 [0,0,1,1,0,0|2,0,0]=4 592 B14R2.21 Clc1cccc(c1)C2CCNCC2 1P00IKQ8 [0,0,1,1,0,0|2,0,0]=4 593 B14R2.21 Clc1cccc(c1)C2CNCCN2 1P00D8Q9 [0,0,1,1,0,0|1,0,0]=3 594 B14R2.21 Clc1cccc(c1)C2CNCCO2 1P00F50I [0,0,1,1,0,0|1,0,0]=3 595 B14R2.21 Clc1cccc(c1)C2COCCN2 1P0096DW [0,0,1,1,0,0|2,0,0]=4 596 B14R2.21 Clc1cccc(c1)C2COCCN2 1P01FKNQ [0,0,1,1,0,0|2,0,0]=4 597 B14R2.21 Clc1cccc(n1)C2CCCNC2 1P028108 [0,0,1,1,0,0|1,0,0]=3 598 B14R2.21 Fc1cccc(c1)C2CCCNC2 1P00CN6C [0,0,1,1,0,0|0,1,0]=3 599 B14R2.21 Fc1cccc(c1)C2CNCCN2 1P00146E [0,0,1,1,0,0|1,1,0]=4 600 B14R2.21 Fc1cccc(c1)C2CNCCO2 1P01AADM [0,0,1,1,0,0|1,1,0]=4 601 B14R2.21 Fc1cncc(c1)C2CCCNC2 1P00A1ZA [0,0,1,1,0,0|1,1,0]=4 602 B14R2.21 Ic1cccc(c1)C2CCCCC2 1P0286L9 [0,0,1,1,0,0|1,1,0]=4 603 B14R2.21 Nc1cccc(c1)C2CCCCC2 1P00DSL3 [0,0,1,1,0,0|2,0,0]=4 604 B14R2.21 Nc1nccc(c1)C2CCCNC2 1P01BH0C [0,0,1,1,0,0|2,0,0]=4 605 B14R2.21 Nc1nccc(c1)C2CCCNC2 1P027V8W [0,0,1,1,0,0|2,0,0]=4 606 B14R2.21 Oc1cccc(c1)C2CCCCC2 1P00ABO5 [0,0,1,1,0,0|2,0,0]=4 607 B14R2.22 NC1CCC(C1)c2cccc(c2)Cl 1P01C2MY [0,0,1,1,0,0|2,0,0]=4 608 B14R2.22 O=C1NCC(C1)c2cccc(c2)Cl 1P01BD1N [0,0,1,1,0,0|1,0,1]=4 609 B14R2.4471 Brc1cccc(c1)C2(O)CNCC2 1P028X3J [0,0,1,1,0,0|1,1,0]=4 610 B14R2.4471 Cc1cccc(c1)C2(F)CNCC2 1P01B9LR [0,0,1,1,0,0|2,0,0]=4 611 B14R2.4471 Cc1cccc(c1)C2(O)CNCC2 1P01JLUI [0,0,1,1,0,0|2,0,0]=4 612 B14R2.4471 Clc1cccc(c1)C2(F)CNCC2 1P01B8LL [0,0,1,1,0,0|1,0,0]=3 613 B14R2.4471 Clc1cccc(c1)C2(O)CCCC2 1P024EA8 [0,0,1,1,0,0|2,0,0]=4 614 B14R2.4471 Clc1cccc(c1)C2(O)CNCC2 1P00FZ16 [0,0,1,1,0,0|1,0,0]=3 615 B14R2.4471 Fc1cccc(c1)C2(C)CNCC2 1P01C5VX [0,0,1,1,0,0|0,1,0]=3 616 B14R2.4471 Fc1cccc(c1)C2(O)CNCC2 1P01FI9S [0,0,1,1,0,0|1,1,0]=4 617 B14R2.116 COc1nc(Cl)ccc1C2CNC2 1P02899E [0,0,1,1,0,0|2,0,0]=4 618 B14R2.1146 COc1cc(Br)cc2c1CCNC2 1P028F7J [0,0,1,1,0,0|1,1,0]=4 619 B14R2.1146 COc1cc(F)cc2c1CCNC2 1P02880J [0,0,1,1,0,0|1,1,0]=4 620 B14R2.2332 CNC1CCc2c(C1)ccc(c2)Br 1P028RR1 [0,0,1,1,0,0|0,1,0]=3 621 B14R2.21738 CC1(CNC1)c2cc(Cl)ccc2Cl 1P0284DY [0,0,1,1,0,0|1,0,0]=3 622 B14R2.47668 NCC1(O)CCc2c1cc(F)cc2 1P01FMTI [0,0,1,1,0,0|1,1,0]=4 623 B14R3.2531 N1CC2CC(C1)c3c2cccc3 1P002MJ3 [1,0,0,1,0,0|0,0,0]=2 624 B14R3.2531 N1CC2OC(C1)c3c2cccc3 1P028313 [1,0,0,1,0,0|1,0,0]=3 625 B14R3.6020 Clc1ncc2c(n1)C3CCC2C3 1P01C82E [0,0,0,1,1,0|2,0,0]=4 626 B12R2.24 Brc1cc2CNCCc2nc1 1P000HJA [1,0,0,0,1,0|1,1,0]=4 627 B12R2.24 Brc1cc2CNCCc2nc1 1P00IBHZ [1,0,0,0,1,0|1,1,0]=4 628 B12R2.24 Brc1ccc2c(c1)CCCC2 1P00EIU0 [1,0,0,0,1,0|0,1,0]=3 629 B12R2.24 Brc1ccc2c(c1)CCCN2 1P0039MU [1,0,0,0,1,0|1,1,0]=4 630 B12R2.24 Brc1ccc2c(c1)CCCN2 1P008S6I [1,0,0,0,1,0|1,1,0]=4 631 B12R2.24 Brc1ccc2c(c1)CCCO2 1P00C6Z6 [1,0,0,0,1,0|1,1,0]=4 632 B12R2.24 Brc1ccc2c(c1)CCCS2 1P01AM5X [1,0,0,0,1,0|1,1,0]=4 633 B12R2.24 Brc1ccc2c(c1)CCNC2 1P003NK4 [1,0,0,0,1,0|0,1,0]=3 634 B12R2.24 Brc1ccc2c(c1)CCNC2 1P00712N [1,0,0,0,1,0|0,1,0]=3 635 B12R2.24 Brc1ccc2c(c1)CCOC2 1P0024QF [1,0,0,0,1,0|1,1,0]=4 636 B12R2.24 Brc1ccc2c(c1)CNCC2 1P0025EM [1,0,0,0,1,0|0,1,0]=3 637 B12R2.24 Brc1ccc2c(c1)CNCC2 1P0034UI [1,0,0,0,1,0|0,1,0]=3 638 B12R2.24 Brc1ccc2c(c1)COCC2 1P001MLE [1,0,0,0,1,0|1,1,0]=4 639 B12R2.24 Brc1ccc2c(c1)NCCC2 1P000FLQ [1,0,0,0,1,0|1,1,0]=4 640 B12R2.24 Brc1ccc2c(c1)NCCC2 1P000JFW [1,0,0,0,1,0|1,1,0]=4 641 B12R2.24 Brc1ccc2c(c1)OCCC2 1P003AM8 [1,0,0,0,1,0|1,1,0]=4 642 B12R2.24 Brc1ccc2c(n1)CCCC2 1P00FDQY [1,0,0,0,1,0|1,1,0]=4 643 B12R2.24 Brc1ccc2c(n1)CCNC2 1P00IINJ [1,0,0,0,1,0|1,1,0]=4 644 B12R2.24 Brc1ccc2c(n1)CCNC2 1P01V831 [1,0,0,0,1,0|1,1,0]=4 645 B12R2.24 Brc1cnc2c(c1)CCCC2 1P00GA7F [1,0,0,0,1,0|1,1,0]=4 646 B12R2.24 Brc1cnc2c(c1)CCNC2 1P01JPN7 [1,0,0,0,1,0|1,1,0]=4 647 B12R2.24 Brc1cnc2c(c1)CNCC2 1P0092XR [1,0,0,0,1,0|1,1,0]=4 648 B12R2.24 Cc1ccc2c(c1)CCCC2 1P00ABHV [1,0,0,0,1,0|1,0,0]=3 649 B12R2.24 Cc1ccc2c(c1)CCCO2 1P01A8GR [1,0,0,0,1,0|2,0,0]=4 650 B12R2.24 Cc1ccc2c(c1)CCNC2 1P00C089 [1,0,0,0,1,0|1,0,0]=3 651 B12R2.24 Cc1ccc2c(c1)CCNC2 1P00CLFY [1,0,0,0,1,0|1,0,0]=3 652 B12R2.24 Cc1ccc2c(c1)CNCC2 1P002JJ2 [1,0,0,0,1,0|1,0,0]=3 653 B12R2.24 Cc1ccc2c(c1)CNCC2 1P00CJJS [1,0,0,0,1,0|1,0,0]=3 654 B12R2.24 Cc1ccc2c(c1)COCC2 1P007YDB [1,0,0,0,1,0|2,0,0]=4 655 B12R2.24 Cc1ccc2c(c1)NCCC2 1P00EM0U [1,0,0,0,1,0|2,0,0]=4 656 B12R2.24 Cc1ccc2c(n1)CCCC2 1P002SFV [1,0,0,0,1,0|2,0,0]=4 657 B12R2.24 Cc1ccc2c(n1)CCNC2 1P0289Q5 [1,0,0,0,1,0|2,0,0]=4 658 B12R2.24 Clc1cc2CCCNc2nc1 1P01DWB5 [1,0,0,0,1,0|2,0,0]=4 659 B12R2.24 Clc1cc2CNCCc2nc1 1P000RZ2 [1,0,0,0,1,0|1,0,0]=3 660 B12R2.24 Clc1cc2CNCCc2nc1 1P01DO6M [1,0,0,0,1,0|1,0,0]=3 661 B12R2.24 Clc1cc2CNCCc2nn1 1P000WPO [1,0,0,0,1,0|2,0,0]=4 662 B12R2.24 Clc1cc2COCCc2nc1 1P01RHUQ [1,0,0,0,1,0|2,0,0]=4 663 B12R2.24 Clc1ccc2c(c1)C=NCC2 1P00EMFQ [1,0,0,0,1,0|0,0,2]=4 664 B12R2.24 Clc1ccc2c(c1)CCCN2 1P00DDP5 [1,0,0,0,1,0|1,0,0]=3 665 B12R2.24 Clc1ccc2c(c1)CCCN2 1P01B98X [1,0,0,0,1,0|1,0,0]=3 666 B12R2.24 Clc1ccc2c(c1)CCCO2 1P00CNCB [1,0,0,0,1,0|1,0,0]=3 667 B12R2.24 Clc1ccc2c(c1)CCNC2 1P007FFC [1,0,0,0,1,0|0,0,0]=2 668 B12R2.24 Clc1ccc2c(c1)CCNC2 1P00I72I [1,0,0,0,1,0|0,0,0]=2 669 B12R2.24 Clc1ccc2c(c1)CNCC2 1P004Y9B [1,0,0,0,1,0|0,0,0]=2 670 B12R2.24 Clc1ccc2c(c1)CNCC2 1P005MT3 [1,0,0,0,1,0|0,0,0]=2 671 B12R2.24 Clc1ccc2c(c1)NCCC2 1P0034UT [1,0,0,0,1,0|1,0,0]=3 672 B12R2.24 Clc1ccc2c(c1)NCCC2 1P0039XV [1,0,0,0,1,0|1,0,0]=3 673 B12R2.24 Clc1ccc2c(c1)NCCO2 1P0067O2 [1,0,0,0,1,0|2,0,0]=4 674 B12R2.24 Clc1ccc2c(c1)NCCO2 1P024IAB [1,0,0,0,1,0|2,0,0]=4 675 B12R2.24 Clc1ccc2c(c1)NCCS2 1P019M4P [1,0,0,0,1,0|2,0,0]=4 676 B12R2.24 Clc1ccc2c(c1)NCCS2 1P019MHS [1,0,0,0,1,0|2,0,0]=4 677 B12R2.24 Clc1ccc2c(c1)OCCC2 1P01OHXF [1,0,0,0,1,0|1,0,0]=3 678 B12R2.24 Clc1ccc2c(c1)OCCN2 1P000A3J [1,0,0,0,1,0|2,0,0]=4 679 B12R2.24 Clc1ccc2c(c1)OCCO2 1P00EFST [1,0,0,0,1,0|2,0,0]=4 680 B12R2.24 Clc1ccc2c(n1)CCCC2 1P003AKR [1,0,0,0,1,0|1,0,0]=3 681 B12R2.24 Clc1ccc2c(n1)CCNC2 1P002LB7 [1,0,0,0,1,0|1,0,0]=3 682 B12R2.24 Clc1ccc2c(n1)CCNC2 1P003752 [1,0,0,0,1,0|1,0,0]=3 683 B12R2.24 Clc1ccc2c(n1)CCOC2 1P000RGF [1,0,0,0,1,0|2,0,0]=4 684 B12R2.24 Clc1ccc2c(n1)CNCC2 1P008UQ0 [1,0,0,0,1,0|1,0,0]=3 685 B12R2.24 Clc1ccc2c(n1)CNCC2 1P009XYQ [1,0,0,0,1,0|1,0,0]=3 686 B12R2.24 Clc1ccc2c(n1)COCC2 1P020LN4 [1,0,0,0,1,0|2,0,0]=4 687 B12R2.24 Clc1ccc2c(n1)NCCC2 1P000URC [1,0,0,0,1,0|2,0,0]=4 688 B12R2.24 Clc1ccc2c(n1)NCCC2 1P028Y8T [1,0,0,0,1,0|2,0,0]=4 689 B12R2.24 Clc1ccc2c(n1)OCCC2 1P01SSQL [1,0,0,0,1,0|2,0,0]=4 690 B12R2.24 Clc1cnc2c(n1)CCCC2 1P001OFQ [1,0,0,0,1,0|2,0,0]=4 691 B12R2.24 Clc1nc2CNCCc2cn1 1P00HXBF [1,0,0,0,1,0|2,0,0]=4 692 B12R2.24 Clc1ncc2c(c1)CCCC2 1P00IF4G [1,0,0,0,1,0|1,0,0]=3 693 B12R2.24 Clc1ncc2c(c1)CCNC2 1P009VXA [1,0,0,0,1,0|1,0,0]=3 694 B12R2.24 Clc1ncc2c(c1)CCOC2 1P028THR [1,0,0,0,1,0|2,0,0]=4 695 B12R2.24 Clc1ncc2c(c1)NCCC2 1P01ELKN [1,0,0,0,1,0|2,0,0]=4 696 B12R2.24 Clc1ncc2c(n1)CCCC2 1P00IDNK [1,0,0,0,1,0|2,0,0]=4 697 B12R2.24 Clc1ncc2c(n1)CCNC2 1P000WPV [1,0,0,0,1,0|2,0,0]=4 698 B12R2.24 Clc1ncc2c(n1)CCNC2 1P003HEZ [1,0,0,0,1,0|2,0,0]=4 699 B12R2.24 Clc1nnc2c(c1)CCCC2 1P018SAW [1,0,0,0,1,0|2,0,0]=4 700 B12R2.24 Clc1nnc2c(c1)CCNC2 1P01C2VG [1,0,0,0,1,0|2,0,0]=4 701 B12R2.24 Fc1ccc2c(c1)CCCN2 1P0039HM [1,0,0,0,1,0|1,1,0]=4 702 B12R2.24 Fc1ccc2c(c1)CCCO2 1P005CVL [1,0,0,0,1,0|1,1,0]=4 703 B12R2.24 Fc1ccc2c(c1)CCNC2 1P00370Q [1,0,0,0,1,0|0,1,0]=3 704 B12R2.24 Fc1ccc2c(c1)CCNC2 1P00I4W2 [1,0,0,0,1,0|0,1,0]=3 705 B12R2.24 Fc1ccc2c(c1)CNCC2 1P005FEL [1,0,0,0,1,0|0,1,0]=3 706 B12R2.24 Fc1ccc2c(c1)CNCC2 1P00BZCX [1,0,0,0,1,0|0,1,0]=3 707 B12R2.24 Fc1ccc2c(c1)NCCC2 1P019UUZ [1,0,0,0,1,0|1,1,0]=4 708 B12R2.24 Fc1ccc2c(c1)NCCC2 1P01AC0V [1,0,0,0,1,0|1,1,0]=4 709 B12R2.24 Ic1ccc2c(c1)CCCO2 1P00FHME [1,0,0,0,1,0|1,1,0]=4 710 B12R2.24 N=c1[nH]cc2c(c1)CCCC2 1P00FEV9 [1,0,0,0,1,0|2,0,0]=4 711 B12R2.24 Nc1cc2CNCCc2nc1 1P009K6B [1,0,0,0,1,0|2,0,0]=4 712 B12R2.24 Nc1ccc2c(c1)CCCC2 1P0034MQ [1,0,0,0,1,0|1,0,0]=3 713 B12R2.24 Nc1ccc2c(c1)CCCC2 1P028HIE [1,0,0,0,1,0|1,0,0]=3 714 B12R2.24 Nc1ccc2c(c1)CCCO2 1P00DLZT [1,0,0,0,1,0|2,0,0]=4 715 B12R2.24 Nc1ccc2c(c1)CCCO2 1P01JV5U [1,0,0,0,1,0|2,0,0]=4 716 B12R2.24 Nc1ccc2c(c1)CCCS2 1P01EIMC [1,0,0,0,1,0|2,0,0]=4 717 B12R2.24 Nc1ccc2c(c1)CCNC2 1P0021QC [1,0,0,0,1,0|1,0,0]=3 718 B12R2.24 Nc1ccc2c(c1)CCNC2 1P01EKHX [1,0,0,0,1,0|1,0,0]=3 719 B12R2.24 Nc1ccc2c(c1)CCOC2 1P00DK5W [1,0,0,0,1,0|2,0,0]=4 720 B12R2.24 Nc1ccc2c(c1)CCOC2 1P01B68R [1,0,0,0,1,0|2,0,0]=4 721 B12R2.24 Nc1ccc2c(c1)CNCC2 1P0021QB [1,0,0,0,1,0|1,0,0]=3 722 B12R2.24 Nc1ccc2c(c1)CNCC2 1P003NTA [1,0,0,0,1,0|1,0,0]=3 723 B12R2.24 Nc1ccc2c(c1)COCC2 1P01DWGH [1,0,0,0,1,0|2,0,0]=4 724 B12R2.24 Nc1ccc2c(c1)NCCC2 1P000VQ2 [1,0,0,0,1,0|2,0,0]=4 725 B12R2.24 Nc1ccc2c(c1)NCCC2 1P007YCC [1,0,0,0,1,0|2,0,0]=4 726 B12R2.24 Nc1ccc2c(c1)OCCC2 1P020IUK [1,0,0,0,1,0|2,0,0]=4 727 B12R2.24 Nc1ccc2c(c1)OCCC2 1P027VA5 [1,0,0,0,1,0|2,0,0]=4 728 B12R2.24 Nc1ccc2c(n1)CCCC2 1P00A9X8 [1,0,0,0,1,0|2,0,0]=4 729 B12R2.24 Nc1cnc2c(c1)CCCC2 1P001NN5 [1,0,0,0,1,0|2,0,0]=4 730 B12R2.24 O=c1[nH]cc2c(c1)CCNC2 1P01K4MI [1,0,0,0,1,0|2,0,0]=4 731 B12R2.24 O=c1ccc2c([nH]1)CCCC2 1P00DEA4 [1,0,0,0,1,0|2,0,0]=4 732 B12R2.24 Oc1cc2CNCCc2nc1 1P0059XL [1,0,0,0,1,0|2,0,0]=4 733 B12R2.24 Oc1ccc2c(c1)CCCC2 1P003MPV [1,0,0,0,1,0|1,0,0]=3 734 B12R2.24 Oc1ccc2c(c1)CCCN2 1P003NOX [1,0,0,0,1,0|2,0,0]=4 735 B12R2.24 Oc1ccc2c(c1)CCCO2 1P003NNR [1,0,0,0,1,0|2,0,0]=4 736 B12R2.24 Oc1ccc2c(c1)CCNC2 1P001K1I [1,0,0,0,1,0|1,0,0]=3 737 B12R2.24 Oc1ccc2c(c1)CCNC2 1P00ECWK [1,0,0,0,1,0|1,0,0]=3 738 B12R2.24 Oc1ccc2c(c1)CCOC2 1P00CX3H [1,0,0,0,1,0|2,0,0]=4 739 B12R2.24 Oc1ccc2c(c1)CNCC2 1P0031RY [1,0,0,0,1,0|1,0,0]=3 740 B12R2.24 Oc1ccc2c(c1)CNCC2 1P0084Q8 [1,0,0,0,1,0|1,0,0]=3 741 B12R2.24 Oc1ccc2c(c1)CNCC2 1P00FGV3 [1,0,0,0,1,0|1,0,0]=3 742 B12R2.24 Oc1ccc2c(c1)COCC2 1P01DWGG [1,0,0,0,1,0|2,0,0]=4 743 B12R2.24 Oc1ccc2c(c1)NCCC2 1P003NW6 [1,0,0,0,1,0|2,0,0]=4 744 B12R2.24 Oc1ccc2c(c1)NCCC2 1P028ND3 [1,0,0,0,1,0|2,0,0]=4 745 B12R2.24 Oc1ccc2c(c1)OCCC2 1P00ELRV [1,0,0,0,1,0|2,0,0]=4 746 B12R2.24 Oc1cnc2c(c1)CCCC2 1P00EM2W [1,0,0,0,1,0|2,0,0]=4 747 B12R2.24 Sc1ccc2c(c1)CCCC2 1P002PCE [1,0,0,0,1,0|1,0,0]=3 748 B12R2.24 Sc1ccc2c(n1)CCCC2 1P028H2A [1,0,0,0,1,0|2,0,0]=4 749 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [1,0,0,0,1,0|0,0,2]=4 750 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [1,0,0,0,1,0|0,0,2]=4 751 B12R2.1081 CC1CCNc2c1cccc2 1P0034K9 [1,0,0,0,1,0|1,0,0]=3 752 B12R2.1081 CC1CCNc2c1cccc2 1P00FXDA [1,0,0,0,1,0|1,0,0]=3 753 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [1,0,0,0,1,0|0,0,0]=2 754 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [1,0,0,0,1,0|0,0,0]=2 755 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [1,0,0,0,1,0|0,0,0]=2 756 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [1,0,0,0,1,0|0,0,0]=2 757 B12R2.1081 CC1NCCc2c1cccn2 1P024ZMQ [1,0,0,0,1,0|1,0,0]=3 758 B12R2.1081 CC1NCCc2c1cncc2 1P01EIG8 [1,0,0,0,1,0|1,0,0]=3 759 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [1,0,0,0,1,0|1,0,0]=3 760 B12R2.1081 CN1CCNc2c1cccc2 1P000R40 [1,0,0,0,1,0|2,0,0]=4 761 B12R2.1081 CN1CCNc2c1cccc2 1P00CJBM [1,0,0,0,1,0|2,0,0]=4 762 B12R2.1081 CN1CCOc2c1cccc2 1P0057CM [1,0,0,0,1,0|2,0,0]=4 763 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [1,0,0,0,1,0|0,0,0]=2 764 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [1,0,0,0,1,0|0,0,0]=2 765 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [1,0,0,0,1,0|0,0,0]=2 766 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [1,0,0,0,1,0|0,0,0]=2 767 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [1,0,0,0,1,0|1,0,0]=3 768 B12R2.1081 ClC1CCCc2c1cncc2 1P02856C [1,0,0,0,1,0|2,0,0]=4 769 B12R2.1081 ClC1CCCc2c1nccc2 1P01BSPJ [1,0,0,0,1,0|2,0,0]=4 770 B12R2.1081 ClC1CCOc2c1cccc2 1P01AGGD [1,0,0,0,1,0|2,0,0]=4 771 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [1,0,0,0,1,0|1,0,0]=3 772 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [1,0,0,0,1,0|1,0,0]=3 773 B12R2.1081 NC1CCCc2c1cccn2 1P0092ZZ [1,0,0,0,1,0|2,0,0]=4 774 B12R2.1081 NC1CCCc2c1cccn2 1P00FCBU [1,0,0,0,1,0|2,0,0]=4 775 B12R2.1081 NC1CCCc2c1ccnc2 1P00DK9C [1,0,0,0,1,0|2,0,0]=4 776 B12R2.1081 NC1CCCc2c1ccnc2 1P01JJ17 [1,0,0,0,1,0|2,0,0]=4 777 B12R2.1081 NC1CCCc2c1nccc2 1P003NY3 [1,0,0,0,1,0|2,0,0]=4 778 B12R2.1081 NC1CCCc2c1nccc2 1P00928G [1,0,0,0,1,0|2,0,0]=4 779 B12R2.1081 NC1CCNc2c1cccc2 1P00G36C [1,0,0,0,1,0|2,0,0]=4 780 B12R2.1081 NC1CCNc2c1cccc2 1P00G8MZ [1,0,0,0,1,0|2,0,0]=4 781 B12R2.1081 NC1CCOc2c1cccc2 1P0037S6 [1,0,0,0,1,0|2,0,0]=4 782 B12R2.1081 NC1CCOc2c1cccc2 1P003L7W [1,0,0,0,1,0|2,0,0]=4 783 B12R2.1081 NC1CCSc2c1cccc2 1P00AMT3 [1,0,0,0,1,0|2,0,0]=4 784 B12R2.1081 NC1COCc2c1cccc2 1P000HO8 [1,0,0,0,1,0|2,0,0]=4 785 B12R2.1081 NC1COCc2c1cccc2 1P007KJZ [1,0,0,0,1,0|2,0,0]=4 786 B12R2.1081 NC1CSCc2c1cccc2 1P019Y83 [1,0,0,0,1,0|2,0,0]=4 787 B12R2.1081 NN1CCCc2c1cccc2 1P00ED9I [1,0,0,0,1,0|2,0,0]=4 788 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [1,0,0,0,1,0|1,0,0]=3 789 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [1,0,0,0,1,0|1,0,0]=3 790 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P007D0E [1,0,0,0,1,0|2,0,0]=4 791 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P009KFR [1,0,0,0,1,0|2,0,0]=4 792 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P002L9X [1,0,0,0,1,0|2,0,0]=4 793 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P003CRS [1,0,0,0,1,0|2,0,0]=4 794 B12R2.1081 N[C@@H]1COCc2c1cccc2 1P0289U3 [1,0,0,0,1,0|2,0,0]=4 795 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [1,0,0,0,1,0|1,0,0]=3 796 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [1,0,0,0,1,0|1,0,0]=3 797 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P007D0D [1,0,0,0,1,0|2,0,0]=4 798 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P00GUH3 [1,0,0,0,1,0|2,0,0]=4 799 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P002H7Y [1,0,0,0,1,0|2,0,0]=4 800 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P003D30 [1,0,0,0,1,0|2,0,0]=4 801 B12R2.1081 N[C@H]1COCc2c1cccc2 1P028YF6 [1,0,0,0,1,0|2,0,0]=4 802 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [1,0,0,0,1,0|1,0,1]=4 803 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [1,0,0,0,1,0|1,0,1]=4 804 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [1,0,0,0,1,0|1,0,0]=3 805 B12R2.1081 OC1CCCc2c1cccn2 1P00ACUT [1,0,0,0,1,0|2,0,0]=4 806 B12R2.1081 OC1CCCc2c1ccnc2 1P00IKDB [1,0,0,0,1,0|2,0,0]=4 807 B12R2.1081 OC1CCCc2c1nccc2 1P001ED2 [1,0,0,0,1,0|2,0,0]=4 808 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [1,0,0,0,1,0|2,0,0]=4 809 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [1,0,0,0,1,0|2,0,0]=4 810 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [1,0,0,0,1,0|2,0,0]=4 811 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [1,0,0,0,1,0|1,0,0]=3 812 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [1,0,0,0,1,0|2,0,0]=4 813 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [1,0,0,0,1,0|2,0,0]=4 814 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [1,0,0,0,1,0|1,0,0]=3 815 B12R2.1081 O[C@@H]1CCCc2c1nccc2 1P00DKAT [1,0,0,0,1,0|2,0,0]=4 816 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [1,0,0,0,1,0|2,0,0]=4 817 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [1,0,0,0,1,0|2,0,0]=4 818 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [1,0,0,0,1,0|1,0,0]=3 819 B12R2.1081 O[C@H]1CCCc2c1nccc2 1P00DJPW [1,0,0,0,1,0|2,0,0]=4 820 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [1,0,0,0,1,0|2,0,0]=4 821 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [1,0,0,0,1,0|2,0,0]=4 822 B12R2.1081 S=C1NCCc2c1cccc2 1P00EE9W [1,0,0,0,1,0|1,0,1]=4 823 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [1,0,0,0,1,0|1,0,0]=3 824 B12R2.1081 SC1CCOc2c1cccc2 1P019Y5B [1,0,0,0,1,0|2,0,0]=4 825 B12R2.132 Brc1ccc2c(c1)C(Br)CC2 1P00GPRV [0,0,0,0,2,0|1,1,0]=4 826 B12R2.132 Brc1ccc2c(c1)C(C)CO2 1P0284FO [0,0,0,0,2,0|1,1,0]=4 827 B12R2.132 Brc1ccc2c(c1)C(N)CC2 1P00H3KK [0,0,0,0,2,0|1,1,0]=4 828 B12R2.132 Brc1ccc2c(c1)C(O)CC2 1P00GAOJ [0,0,0,0,2,0|1,1,0]=4 829 B12R2.132 Brc1ccc2c(c1)N(C)CC2 1P021TLR [0,0,0,0,2,0|1,1,0]=4 830 B12R2.132 Brc1ccc2c(c1)[C@@H](N)CC2 1P009KGP [0,0,0,0,2,0|1,1,0]=4 831 B12R2.132 Brc1ccc2c(c1)[C@@H](O)CC2 1P028HHU [0,0,0,0,2,0|1,1,0]=4 832 B12R2.132 Brc1ccc2c(c1)[C@H](N)CC2 1P00ARDM [0,0,0,0,2,0|1,1,0]=4 833 B12R2.132 Brc1ccc2c(c1)[C@H](O)CC2 1P024GX8 [0,0,0,0,2,0|1,1,0]=4 834 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P007BTU [0,0,0,0,2,0|2,0,0]=4 835 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P01ABPU [0,0,0,0,2,0|2,0,0]=4 836 B12R2.132 Cc1ccc2c(c1)C(O)CC2 1P002D7P [0,0,0,0,2,0|2,0,0]=4 837 B12R2.132 Cc1ccc2c(c1)[C@H](N)CC2 1P01XDCZ [0,0,0,0,2,0|2,0,0]=4 838 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 1P001DJP [0,0,0,0,2,0|1,0,1]=4 839 B12R2.132 Clc1ccc2c(c1)C(=O)NC2 1P00EDEX [0,0,0,0,2,0|1,0,1]=4 840 B12R2.132 Clc1ccc2c(c1)C(Br)CC2 1P01A71D [0,0,0,0,2,0|1,0,0]=3 841 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P000IRK [0,0,0,0,2,0|1,0,0]=3 842 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P00FGUH [0,0,0,0,2,0|1,0,0]=3 843 B12R2.132 Clc1ccc2c(c1)C(N)CO2 1P005GKV [0,0,0,0,2,0|2,0,0]=4 844 B12R2.132 Clc1ccc2c(c1)C(N)CO2 1P006NUL [0,0,0,0,2,0|2,0,0]=4 845 B12R2.132 Clc1ccc2c(c1)C(O)CC2 1P00DLYF [0,0,0,0,2,0|1,0,0]=3 846 B12R2.132 Clc1ccc2c(c1)c(C)c[nH]2 1P00FBVN [0,0,0,0,2,0|0,0,2]=4 847 B12R2.132 Clc1ccc2c(c1)c(C)n[nH]2 1P006AHD [0,0,0,0,2,0|1,0,1]=4 848 B12R2.132 Clc1ccc2c(n1)C(N)CC2 1P02855J [0,0,0,0,2,0|2,0,0]=4 849 B12R2.132 Fc1ccc2c(c1)C(Br)CC2 1P019UAL [0,0,0,0,2,0|1,1,0]=4 850 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P000IRJ [0,0,0,0,2,0|1,1,0]=4 851 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P001YU9 [0,0,0,0,2,0|1,1,0]=4 852 B12R2.132 Fc1ccc2c(c1)C(O)CC2 1P00DLC6 [0,0,0,0,2,0|1,1,0]=4 853 B12R2.132 Fc1ccc2c(c1)[C@@H](N)CC2 1P001ATN [0,0,0,0,2,0|1,1,0]=4 854 B12R2.132 Fc1ccc2c(c1)[C@@H](O)CC2 1P028Z3Q [0,0,0,0,2,0|1,1,0]=4 855 B12R2.132 Fc1ccc2c(c1)[C@H](N)CC2 1P00FI1K [0,0,0,0,2,0|1,1,0]=4 856 B12R2.132 Fc1ccc2c(c1)[C@H](O)CC2 1P02883A [0,0,0,0,2,0|1,1,0]=4 857 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 1P01FX3K [0,0,0,0,2,0|1,1,0]=4 858 B12R2.132 Nc1ccc2c(c1)N(C)CC2 1P0092UI [0,0,0,0,2,0|2,0,0]=4 859 B12R2.132 Oc1ccc2c(c1)C(N)CC2 1P001YUA [0,0,0,0,2,0|2,0,0]=4 860 B12R2.132 Oc1ccc2c(c1)[C@@H](N)CC2 1P01DYKI [0,0,0,0,2,0|2,0,0]=4 861 B12R2.132 Oc1ccc2c(c1)[C@H](N)CC2 1P001YXE [0,0,0,0,2,0|2,0,0]=4 862 B12R2.202 Clc1cc2c(s1)CCCC2N 1P01BCQX [0,0,0,0,2,0|2,0,0]=4 863 B12R2.202 Clc1cc2c(s1)CCCC2N 1P0284GP [0,0,0,0,2,0|2,0,0]=4 864 B14R1.950 CC(Nc1cc(Cl)ccc1C)COC 1P01B1IU [0,0,1,0,0,1|1,0,0]=3 865 B14R1.950 CC(Nc1cc(Cl)ccc1C)COC 1P01C10W [0,0,1,0,0,1|1,0,0]=3