0 B14R1.423 CC(COC(=O)Cc1ccccc1)C 1P0006OQ [0,0,0,0,0,0|0,0,0]=0 1 B14R1.423 CN(CCC(=O)Cc1ccccc1)C 1P01AV4R [0,0,0,0,0,0|2,0,0]=2 2 B14R1.423 C[C@H](CNC(=O)Oc1ccccc1)O 1P01EMW9 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.423 O=C(Cc1ccccc1)CCC(=O)O 1P01E4LI [0,0,0,0,0,0|3,0,1]=4 4 B14R1.423 O=C(Cc1ccccc1)NCC(=O)O 1P003U4D [0,0,0,0,0,0|3,0,1]=4 5 B13R1.44 C=CCCC(=O)Cc1ccccc1 1P01BURP [1,0,0,0,0,0|1,0,2]=4 6 B13R1.44 C=CCOC(=O)Cc1ccccc1 1P0027OU [1,0,0,0,0,0|0,0,2]=3 7 B13R1.44 C=CCOC(=O)Oc1ccccc1 1P001U4R [1,0,0,0,0,0|1,0,2]=4 8 B13R1.44 CCCCC(=O)Cc1ccccc1 1P003F36 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.44 CCCCC(=O)Nc1ccccc1 1P0008HO [1,0,0,0,0,0|2,0,0]=3 10 B13R1.44 CCNCC(=O)Nc1ccccc1 1P01BD6I [1,0,0,0,0,0|3,0,0]=4 11 B13R1.44 COCCC(=O)Oc1ccccc1 1P028MZS [1,0,0,0,0,0|3,0,0]=4 12 B13R1.44 CSCCC(=O)Oc1ccccc1 1P028FLB [1,0,0,0,0,0|3,0,0]=4 13 B13R1.44 ClCCOC(=O)Nc1cccnc1 1P01AA66 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.44 NCCCC(=O)Nc1ccccc1 1P009MSM [1,0,0,0,0,0|3,0,0]=4 15 B13R1.44 NCCNC(=O)Cc1ccccc1 1P01A8X1 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.44 NCCNC(=O)Cc1ccccc1 1P028K6U [1,0,0,0,0,0|2,0,0]=3 17 B13R1.44 NCCNC(=O)Nc1ccccc1 1P00IE9B [1,0,0,0,0,0|3,0,0]=4 18 B13R1.44 OCCNC(=O)Oc1ccccc1 1P01AH7D [1,0,0,0,0,0|3,0,0]=4 19 B13R1.337 CC(CCNCc1ccccc1)C 1P00E08O [1,0,0,0,0,0|2,0,0]=3 20 B13R1.337 CC(CCNCc1ccccc1)C 1P01S7X8 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.337 CC(CCOCc1ccccc1)N 1P01BBSD [1,0,0,0,0,0|3,0,0]=4 22 B13R1.337 CC(CCOCc1ccccc1)O 1P00DOW1 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.337 CC(CONCc1ccccc1)C 1P01C2F0 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.337 CC(NCCCc1ccccc1)C 1P00J24P [1,0,0,0,0,0|2,0,1]=4 25 B13R1.337 CN(CCNCc1ccccc1)C 1P003T8R [1,0,0,0,0,0|3,0,0]=4 26 B13R1.337 C[C@@H](CCOCc1ccccc1)N 1P0293R4 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.337 C[C@@H](CCOCc1ccccc1)O 1P008PC2 [1,0,0,0,0,0|3,0,0]=4 28 B15R1.111 CC(NCC(=O)Nc1ccc(cc1)F)C 1P019JUJ [0,1,0,0,0,0|3,0,0]=4 29 B15R1.111 CN(CCC(=O)Nc1ccc(cc1)N)C 1P004SLF [0,1,0,0,0,0|3,0,0]=4 30 B15R1.120 CC(COC(=O)Nc1cccc(c1)N)C 1P019XW9 [0,1,0,0,0,0|1,0,0]=2 31 B15R1.496 N[C@H](C(=O)Nc1ccccc1)CC(C)C 1P01DVT5 [0,1,0,0,0,0|2,0,0]=3 32 B15R1.3675 CC(C(=O)CC(=O)Nc1ccccc1)C 1P000MF5 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.3675 NC(C(C)C)CN(Cc1ccccc1)C 1P01ACZS [0,1,0,0,0,0|3,0,0]=4 34 B15R1.9108 O=C(Cc1ccccc1)C#C[Si](C)(C)C 1P004DGH [0,1,0,0,0,0|1,1,1]=4 35 B15R1.9108 O=C(Nc1ccccc1)CCC(F)(F)C 1P027YEJ [0,1,0,0,0,0|3,0,0]=4 36 B15R2.33 NC1CCC(=O)N(C1)c2ccccc2 1P01BKUX [0,0,0,1,0,0|3,0,0]=4 37 B15R2.33 NC1CCC(=O)N(C1)c2ccccc2 1P01EJTP [0,0,0,1,0,0|3,0,0]=4 38 B15R2.33 NC1CCC(=O)N(C1)c2ccccc2 1P028X7J [0,0,0,1,0,0|3,0,0]=4 39 B15R2.596 F[C@@H]1C[C@@H](C1)C(=O)Nc2ccccc2 1P028R52 [0,0,0,1,0,0|3,0,0]=4 40 B15R2.596 F[C@@H]1C[C@H](C1)C(=O)Nc2ccccc2 1P028QLV [0,0,0,1,0,0|3,0,0]=4 41 B15R2.596 OC1CN(C1)C(=O)Oc2ccccc2 1P01C7OE [0,0,0,1,0,0|3,0,0]=4 42 B15R2.988 O=c1[nH]c2ccccc2c(c1)C(C)C 1P028VDI [0,0,0,1,0,0|2,0,1]=4 43 B15R2.993 CC(Cn1c(N)nc2c1cccc2)C 1P00DDO3 [0,0,0,1,0,0|3,0,0]=4 44 B15R2.993 CC(Cn1c(S)nc2c1cccc2)C 1P00DG2H [0,0,0,1,0,0|2,1,0]=4 45 B15R2.1256 O=C(Oc1ccccc1)NCC2CC2 1P01AGG3 [0,0,0,1,0,0|2,0,0]=3 46 B15R2.1660 CC(CNc1nc2c([nH]1)cccc2)C 1P01B5N8 [0,0,0,1,0,0|3,0,0]=4 47 B15R2.1660 CC(CNc1nc2c(s1)cccc2)C 1P002PAH [0,0,0,1,0,0|2,1,0]=4 48 B15R2.1660 CC(CSc1nc2c([nH]1)cccc2)C 1P00MEN6 [0,0,0,1,0,0|2,1,0]=4 49 B15R2.7341 NC1CCC(c2c(C1)cccc2)(C)C 1P0290GW [0,0,0,1,0,0|2,0,1]=4 50 B15R2.7341 O=C1CCC(c2c(C1)cccc2)(C)C 1P01FJOZ [0,0,0,1,0,0|1,0,0]=2 51 B13R1.45 CC(CNC(=N)c1ccccc1)C 1P01C3Q4 [0,0,0,0,1,0|2,0,0]=3 52 B13R1.45 CC(CNC(=O)c1cccnc1)O 1P01A0GS [0,0,0,0,1,0|3,0,0]=4 53 B13R1.45 CC(COC(=O)c1ccccc1)C 1P000QHI [0,0,0,0,1,0|0,0,0]=1 54 B13R1.45 CC(COC(=O)c1ccccc1)O 1P00CZ5W [0,0,0,0,1,0|1,0,0]=2 55 B13R1.45 CC(NNC(=O)c1ccncc1)C 1P0030UI [0,0,0,0,1,0|3,0,0]=4 56 B13R1.45 CC(NNC(=O)c1ccncc1)C 1P0035HX [0,0,0,0,1,0|3,0,0]=4 57 B13R1.45 CC(c1ccccc1)NCC(C)C 1P0284SF [0,0,0,0,1,0|2,0,1]=4 58 B13R1.45 CN(C=CC(=O)c1ccccc1)C 1P000QRF [0,0,0,0,1,0|2,0,1]=4 59 B13R1.45 CN(CCC(=O)c1ccccc1)C 1P004MEZ [0,0,0,0,1,0|2,0,0]=3 60 B13R1.45 CN(\C=C\C(=O)c1ccccc1)C 1P007B6H [0,0,0,0,1,0|2,0,1]=4 61 B13R1.45 FC(CCC(=O)c1ccccc1)F 1P027V94 [0,0,0,0,1,0|3,0,0]=4 62 B13R1.45 FC(CNC(=O)c1ccccc1)F 1P0281BV [0,0,0,0,1,0|3,0,0]=4 63 B13R1.45 O=C(c1ccccc1)OCC(=O)C 1P00FHDE [0,0,0,0,1,0|1,0,1]=3 64 B13R1.45 O=C(c1ccccc1)OCC(=O)Cl 1P019GMX [0,0,0,0,1,0|2,0,1]=4 65 B13R1.45 O=C(c1ccccc1)ON=C(C)C 1P003O47 [0,0,0,0,1,0|1,0,1]=3 66 B13R1.348 CC(CC(=O)Cc1ccccc1)C 1P003M6H [0,0,0,0,1,0|0,0,0]=1 67 B13R1.348 CC(CC(=O)Nc1ccccc1)N 1P01DYW2 [0,0,0,0,1,0|2,0,0]=3 68 B13R1.348 CC(NC(=S)Nc1ccccc1)C 1P00ADCO [0,0,0,0,1,0|2,1,0]=4 69 B13R1.348 CC(Nc1ccccc1)CC(C)C 1P01AY2J [0,0,0,0,1,0|2,0,1]=4 70 B13R1.348 CC(OC(=O)Cc1ccccc1)C 1P003RLT [0,0,0,0,1,0|0,0,0]=1 71 B13R1.348 CC(OC(=O)Oc1ccccc1)C 1P01X3H5 [0,0,0,0,1,0|1,0,0]=2 72 B13R1.348 CC(OC(=O)Oc1ccccc1)Cl 1P00DFX3 [0,0,0,0,1,0|2,0,0]=3 73 B13R1.348 CN(CC(=O)Cc1ccccc1)C 1P01C1NO [0,0,0,0,1,0|1,0,0]=2 74 B13R1.348 C[C@H](CN(Cc1ccccc1)C)N 1P01BBYH [0,0,0,0,1,0|3,0,0]=4 75 B13R1.348 NC(Cc1ccccc1)CC(C)C 1P028JFU [0,0,0,0,1,0|1,0,1]=3 76 B13R1.348 NC(Cc1ccccc1)CN(C)C 1P00CFS2 [0,0,0,0,1,0|2,0,1]=4 77 B13R1.348 N[C@@H](Cc1ccccc1)CN(C)C 1P00BHRI [0,0,0,0,1,0|2,0,1]=4 78 B13R1.348 O=C(Cc1ccccc1)CC(=O)C 1P00CASX [0,0,0,0,1,0|1,0,1]=3 79 B13R1.348 O=C(Nc1ccccc1)C=C(C)C 1P0010NL [0,0,0,0,1,0|1,0,2]=4 80 B13R1.348 O=C(Nc1ccccc1)CC(=O)C 1P0006P0 [0,0,0,0,1,0|2,0,1]=4 81 B13R1.348 OC(Cc1ccccc1)CC(C)C 1P003M6G [0,0,0,0,1,0|0,0,2]=3 82 B13R1.348 O[C@H](Cc1ccccc1)CN(C)C 1P027Y8E [0,0,0,0,1,0|1,0,2]=4 83 B15R1.1081 CC(CCOC(=O)Cc1ccccc1)C 1P0006OM [0,0,0,0,0,1|0,0,0]=1 84 B15R1.1081 CN(C\C=C\C(=O)Nc1ccccc1)C 1P0289BB [0,0,0,0,0,1|3,0,0]=4 85 B15R1.5919 CC(CNC(=O)OCc1ccccc1)C 1P028FU9 [0,0,0,0,0,1|1,0,0]=2 86 B15R1.5919 CC(COC(=O)C=Cc1ccccc1)C 1P0016ZM [0,0,0,0,0,1|0,0,1]=2 87 B15R1.5919 C[C@H](CNC(=O)OCc1ccccc1)N 1P01E3Y5 [0,0,0,0,0,1|2,0,0]=3 88 B12R1.8 CCCCC=Cc1ccccc1 1P001RCL [2,0,0,0,0,0|1,0,1]=4 89 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [2,0,0,0,0,0|1,0,1]=4 90 B12R1.8 CCCCNCc1ccccc1 1P003T8S [2,0,0,0,0,0|2,0,0]=4 91 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [2,0,0,0,0,0|1,0,1]=4 92 B12R1.8 CCCNOCc1ccccc1 1P028IDR [2,0,0,0,0,0|2,0,0]=4 93 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [2,0,0,0,0,0|1,0,1]=4 94 B12R1.8 OCCOCCc1ccccc1 1P005HXR [2,0,0,0,0,0|1,0,1]=4 95 B12R1.32 BrCCC(=O)Nc1ccccc1 1P00GNN1 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [2,0,0,0,0,0|0,0,0]=2 97 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [2,0,0,0,0,0|1,0,1]=4 98 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [2,0,0,0,0,0|2,0,0]=4 99 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [2,0,0,0,0,0|2,0,0]=4 100 B12R1.32 CCOC(=O)C[n+]1ccccc1 1P007CSA [2,0,0,0,0,0|1,0,0]=3 101 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [2,0,0,0,0,0|0,0,0]=2 102 B12R1.32 CCOC(=O)Cc1ccccn1 1P0035BC [2,0,0,0,0,0|1,0,0]=3 103 B12R1.32 CCOC(=O)Cc1cccnc1 1P00BY7B [2,0,0,0,0,0|1,0,0]=3 104 B12R1.32 CCOC(=O)Cc1cccnn1 1P000RZW [2,0,0,0,0,0|2,0,0]=4 105 B12R1.32 CCOC(=O)Cc1ccncc1 1P003QSB [2,0,0,0,0,0|1,0,0]=3 106 B12R1.32 CCOC(=O)Cc1ccncn1 1P000LYT [2,0,0,0,0,0|2,0,0]=4 107 B12R1.32 CCOC(=O)Cc1cnccn1 1P008ZJ1 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.32 CCOC(=O)Cc1ncccn1 1P003QI7 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.32 CCOC(=O)N=c1cc[nH]cc1 1P00DJ1M [2,0,0,0,0,0|2,0,0]=4 110 B12R1.32 CCOC(=O)Nc1ccccc1 1P0003XB [2,0,0,0,0,0|1,0,0]=3 111 B12R1.32 CCOC(=O)Nc1ccccn1 1P00DKBX [2,0,0,0,0,0|2,0,0]=4 112 B12R1.32 CCOC(=O)Nc1cccnc1 1P019MHU [2,0,0,0,0,0|2,0,0]=4 113 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [2,0,0,0,0,0|2,0,0]=4 114 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [2,0,0,0,0,0|1,0,0]=3 115 B12R1.32 COCC(=O)Nc1ccccc1 1P028IUS [2,0,0,0,0,0|2,0,0]=4 116 B12R1.32 COCC(=O)Oc1ccccc1 1P001YI1 [2,0,0,0,0,0|2,0,0]=4 117 B12R1.32 ClCCC(=O)Nc1ccccc1 1P00C08U [2,0,0,0,0,0|2,0,0]=4 118 B12R1.32 ClCCC(=O)Oc1ccccc1 1P002OZQ [2,0,0,0,0,0|2,0,0]=4 119 B12R1.32 N#CCC(=O)Cc1ccccc1 1P002G4U [2,0,0,0,0,0|1,0,1]=4 120 B12R1.32 NCCC(=O)Nc1ccccc1 1P000G66 [2,0,0,0,0,0|2,0,0]=4 121 B12R1.32 NCCC(=O)Nc1ccccc1 1P00EENY [2,0,0,0,0,0|2,0,0]=4 122 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [2,0,0,0,0,0|2,0,0]=4 123 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [2,0,0,0,0,0|2,0,0]=4 124 B14R1.33 CCCCC(=O)Nc1ccc(cc1)N 1P00EAPW [1,1,0,0,0,0|2,0,0]=4 125 B14R1.33 CCCCC(=O)Nc1ccc(cc1)O 1P004VSO [1,1,0,0,0,0|2,0,0]=4 126 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 1P01S6OO [1,1,0,0,0,0|1,0,0]=3 127 B14R1.33 NCCNC(=O)Cc1ccc(cc1)F 1P01EJQJ [1,1,0,0,0,0|2,0,0]=4 128 B14R1.33 OCCNC(=O)Cc1ccc(cc1)N 1P01A8MZ [1,1,0,0,0,0|2,0,0]=4 129 B14R1.33 OCCNC(=O)Cc1ccc(cc1)O 1P01AHIT [1,1,0,0,0,0|2,0,0]=4 130 B14R1.34 CCCCC(=O)Nc1cccc(c1)O 1P00DDID [1,1,0,0,0,0|2,0,0]=4 131 B14R1.34 CCCNC(=O)Nc1cccc(c1)N 1P019UY8 [1,1,0,0,0,0|2,0,0]=4 132 B14R1.34 CCCNC(=O)Nc1cccc(c1)O 1P01AADZ [1,1,0,0,0,0|2,0,0]=4 133 B14R1.34 COCCC(=O)Cc1cccc(c1)F 1P01ABAD [1,1,0,0,0,0|2,0,0]=4 134 B14R1.34 ClCCOC(=O)Nc1cccc(c1)Br 1P01C672 [1,1,0,0,0,0|2,0,0]=4 135 B14R1.34 NCCNC(=O)Cc1cccc(c1)F 1P01A8UD [1,1,0,0,0,0|2,0,0]=4 136 B14R1.34 NCCNC(=O)Cc1cccc(c1)F 1P027WBU [1,1,0,0,0,0|2,0,0]=4 137 B14R1.158 CCCCOC(=O)Cc1ccccc1 1P0016ZZ [1,1,0,0,0,0|0,0,0]=2 138 B14R1.158 CCCCOC(=O)Cc1ccccn1 1P01C71X [1,1,0,0,0,0|1,0,0]=3 139 B14R1.158 CNCCCC(=O)Nc1ccccc1 1P01B286 [1,1,0,0,0,0|2,0,0]=4 140 B14R1.166 CCCOC(=O)C(c1ccccc1)O 1P01A4VQ [1,1,0,0,0,0|0,0,0]=2 141 B14R1.946 ClCCOC(=O)Nc1ccccc1Br 1P01C670 [1,1,0,0,0,0|2,0,0]=4 142 B14R1.420 CC(c1ccccc1)NCCC(C)C 1P0284ZH [1,1,0,0,0,0|2,0,0]=4 143 B14R1.420 OC(c1ccccc1)CNCC(C)C 1P01AJMQ [1,1,0,0,0,0|1,0,1]=4 144 B14R1.677 CC(CNCCc1ccc(cc1)F)C 1P019MAC [1,1,0,0,0,0|1,0,1]=4 145 B14R1.818 CC(CC(=O)OCc1ccccc1)C 1P003OKY [1,1,0,0,0,0|2,0,0]=4 146 B14R1.3331 CC(CCNCc1ccccc1)(C)C 1P01ADBL [1,1,0,0,0,0|2,0,0]=4 147 B14R1.3331 CC(CCNCc1ccccc1)(O)C 1P01DVU9 [1,1,0,0,0,0|2,0,0]=4 148 B14R1.6449 NC(C(C)C)CNCc1ccccc1 1P01BVIT [1,1,0,0,0,0|2,0,0]=4 149 B14R1.6449 O=C(C(C)C)OCCc1ccccc1 1P00864M [1,1,0,0,0,0|0,0,2]=4 150 B14R1.149 CC(CNC(=O)c1cccc(c1)N)C 1P005HHB [0,1,0,0,1,0|1,0,0]=3 151 B14R1.149 CC(CNC(=O)c1cccc(c1)O)O 1P01AJ2T [0,1,0,0,1,0|2,0,0]=4 152 B14R1.149 CN(CCC(=O)c1cccc(c1)Br)C 1P01GFLH [0,1,0,0,1,0|2,0,0]=4 153 B14R1.160 CC(CNC(=O)c1ccccc1N)C 1P019JXW [0,1,0,0,1,0|1,0,0]=3 154 B14R1.160 CC(COC(=O)c1ccccc1O)C 1P003RJK [0,1,0,0,1,0|0,0,0]=2 155 B14R1.160 CC(OCC(=O)c1ccccc1F)C 1P0281WB [0,1,0,0,1,0|2,0,0]=4 156 B14R1.160 CN(CCC(=O)c1ccccc1N)C 1P028SV3 [0,1,0,0,1,0|2,0,0]=4 157 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 1P01AC6S [0,1,0,0,1,0|1,0,1]=4 158 B14R1.163 CCC(CCC(=O)c1ccccc1)Br 1P005DI7 [0,1,0,0,1,0|2,0,0]=4 159 B14R1.163 ClC[C@H](CNC(=O)c1ccccc1)O 1P028UJ0 [0,1,0,0,1,0|2,0,0]=4 160 B14R1.163 OCC(COC(=O)c1ccccc1)O 1P007JA0 [0,1,0,0,1,0|1,0,0]=3 161 B14R1.415 CC(C(=O)CC(=O)c1ccccc1)C 1P001C82 [0,1,0,0,1,0|1,0,1]=4 162 B14R1.417 CC(C(=O)c1ccccc1)CN(C)C 1P003JTW [0,1,0,0,1,0|2,0,0]=4 163 B14R1.540 O=C\C(=C\CC(C)C)\c1ccccc1 1P003NC1 [0,1,0,0,1,0|1,0,0]=3 164 B14R1.678 CC(CCC(=O)c1ccc(cc1)Cl)C 1P019XNG [0,1,0,0,1,0|1,0,0]=3 165 B14R1.678 CC(CNC(=O)c1ccc(cc1)N)C 1P019VZF [0,1,0,0,1,0|1,0,0]=3 166 B14R1.678 CC(CNC(=O)c1ccc(nc1)Cl)C 1P01JO84 [0,1,0,0,1,0|2,0,0]=4 167 B14R1.678 CC(CNC(=O)c1ccc(nc1)F)C 1P0290HC [0,1,0,0,1,0|2,0,0]=4 168 B14R1.678 CC(COC(=O)c1ccc(cc1)N)C 1P00676A [0,1,0,0,1,0|0,0,0]=2 169 B14R1.678 CC(COC(=O)c1ccc(cc1)O)C 1P003RJ5 [0,1,0,0,1,0|0,0,0]=2 170 B14R1.678 CN(CCC(=O)c1ccc(cc1)Br)C 1P01KKDK [0,1,0,0,1,0|2,0,0]=4 171 B14R1.678 CN(CCC(=O)c1ccc(cc1)C)C 1P003IOF [0,1,0,0,1,0|2,0,0]=4 172 B14R1.678 CN(CCC(=O)c1ccc(cc1)Cl)C 1P0027QN [0,1,0,0,1,0|2,0,0]=4 173 B14R1.678 CN(CCC(=O)c1ccc(cc1)O)C 1P007P1V [0,1,0,0,1,0|2,0,0]=4 174 B14R1.678 C[C@@H](CNC(=O)c1ccc(cc1)O)O 1P01BF09 [0,1,0,0,1,0|2,0,0]=4 175 B14R1.813 CC(CNS(=O)(=O)c1ccccc1)C 1P01XYMA [0,1,0,0,1,0|2,0,0]=4 176 B14R1.3098 O=C(c1ccccc1)CC[N+](C)(C)C 1P002OPV [0,1,0,0,1,0|2,0,0]=4 177 B14R1.3098 O=C(c1ccccc1)OCC(Br)(F)F 1P0294JQ [0,1,0,0,1,0|2,0,0]=4 178 B14R1.3098 O=C(c1ccccc1)OCC(F)(F)F 1P027BBQ [0,1,0,0,1,0|2,0,0]=4 179 B14R1.3098 O=C(c1ccccc1)ONC(C)(C)C 1P003TWE [0,1,0,0,1,0|1,0,0]=3 180 B14R1.337 CC(CC(=O)Nc1ccccc1N)C 1P00DDM9 [0,1,0,0,1,0|1,0,0]=3 181 B14R1.337 CC(NC(=O)Nc1ccccc1N)C 1P019V3U [0,1,0,0,1,0|2,0,0]=4 182 B14R1.337 CN(CC(=O)Nc1ccccc1N)C 1P00C94D [0,1,0,0,1,0|2,0,0]=4 183 B14R1.425 BrC(C(=O)Nc1ccccc1)C(C)C 1P008ZVT [0,1,0,0,1,0|1,0,0]=3 184 B14R1.425 CC([C@@H](C(=O)Nc1ccccn1)N)C 1P00IMAT [0,1,0,0,1,0|2,0,0]=4 185 B14R1.425 CC([C@H](C(=O)Nc1ccccn1)N)C 1P001PH3 [0,1,0,0,1,0|2,0,0]=4 186 B14R1.425 N[C@H](C(=O)Nc1ccccc1)C(C)C 1P01EJSE [0,1,0,0,1,0|1,0,0]=3 187 B14R1.433 CN(Cc1ccccc1)CC(N)(C)C 1P01A2TI [0,1,0,0,1,0|2,0,0]=4 188 B14R1.433 O=C(C[N+](C)(C)C)Nc1ccccc1 1P00BEQT [0,1,0,0,1,0|2,0,0]=4 189 B14R1.433 O=C(Cc1ccccc1)CC(F)(F)F 1P01SPGG [0,1,0,0,1,0|2,0,0]=4 190 B14R1.433 O=C(Cc1ccncc1)OC(C)(C)C 1P00G9SN [0,1,0,0,1,0|1,0,0]=3 191 B14R1.433 O=C(Nc1ccccc1)OC(C)(C)C 1P003SW2 [0,1,0,0,1,0|1,0,0]=3 192 B14R1.433 O=C(Nc1ccncc1)OC(C)(C)C 1P00IKJF [0,1,0,0,1,0|2,0,0]=4 193 B14R1.433 O=C(OC(C)(C)C)Cc1ccccn1 1P001MR6 [0,1,0,0,1,0|1,0,0]=3 194 B14R1.433 O=C(OC(C)(C)C)Nc1ccccn1 1P007AAO [0,1,0,0,1,0|2,0,0]=4 195 B14R1.433 O=C(OC(C)(C)C)Nc1cccnc1 1P003A40 [0,1,0,0,1,0|2,0,0]=4 196 B14R1.433 O=C(Oc1ccccc1)OC(C)(C)C 1P006OJ9 [0,1,0,0,1,0|1,0,0]=3 197 B14R1.549 NCC(Cc1ccccc1)CC(C)C 1P01EIQ6 [0,1,0,0,1,0|1,0,1]=4 198 B14R1.698 CC(CC(=O)Nc1ccc(cc1)N)C 1P002E8T [0,1,0,0,1,0|1,0,0]=3 199 B14R1.698 CC(CC(=O)Nc1ccc(cc1)O)C 1P0067OB [0,1,0,0,1,0|1,0,0]=3 200 B14R1.698 CC(CC(=O)Oc1ccc(cc1)C)C 1P003RMH [0,1,0,0,1,0|1,0,0]=3 201 B14R1.698 CC(NC(=O)Cc1ccc(cc1)N)C 1P019MGS [0,1,0,0,1,0|1,0,0]=3 202 B14R1.698 CC(NC(=O)Nc1ccc(cc1)N)C 1P019LGO [0,1,0,0,1,0|2,0,0]=4 203 B14R1.698 CN(CC(=O)Nc1ccc(cc1)N)C 1P007MGL [0,1,0,0,1,0|2,0,0]=4 204 B14R1.698 CN(CC(=O)Nc1ccc(cc1)N)C 1P027WDF [0,1,0,0,1,0|2,0,0]=4 205 B14R1.5978 CC(CC(=O)Cc1cccc(c1)Cl)C 1P01AAUS [0,1,0,0,1,0|0,0,0]=2 206 B14R1.5978 CC(CC(=O)Nc1cncc(c1)Br)C 1P01KY5I [0,1,0,0,1,0|2,0,0]=4 207 B14R1.5978 CC(NC(=O)Nc1cccc(c1)N)C 1P019MXI [0,1,0,0,1,0|2,0,0]=4 208 B14R1.5978 CC(OC(=O)Nc1cccc(c1)Cl)C 1P00H9UX [0,1,0,0,1,0|1,0,0]=3 209 B14R1.5978 CN(CC(=O)Nc1cccc(c1)N)C 1P00J27R [0,1,0,0,1,0|2,0,0]=4 210 B16R1.1067 CN(CCNC(=O)Cc1ccc(cc1)N)C 1P019N20 [0,1,0,0,0,1|2,0,0]=4 211 B16R1.6940 CC(CC(=O)CC(=O)Nc1ccccc1)C 1P0075HU [0,1,0,0,0,1|2,0,0]=4 212 B16R1.1343 OCC(CNC(=O)OCc1ccccc1)O 1P003SUP [0,1,0,0,0,1|2,0,0]=4 213 B16R1.1343 OC[C@@H](CNC(=O)OCc1ccccc1)O 1P01JVMY [0,1,0,0,0,1|2,0,0]=4 214 B16R1.4122 CC(C(N)C)NC(=O)OCc1ccccc1 1P0293E0 [0,1,0,0,0,1|2,0,0]=4 215 B16R1.6944 NC(C(=O)OCc1ccccc1)CC(C)C 1P00BHKU [0,1,0,0,0,1|1,0,0]=3 216 B16R1.6944 N[C@@H](C(=O)OCc1ccccc1)CC(C)C 1P00258W [0,1,0,0,0,1|1,0,0]=3 217 B16R1.6944 N[C@@H](C(=O)OCc1ccccc1)CC(C)C 1P01EEFV [0,1,0,0,0,1|1,0,0]=3 218 B16R1.6944 N[C@H](C(=O)OCc1ccccc1)CC(C)C 1P001ZNP [0,1,0,0,0,1|1,0,0]=3 219 B16R1.6944 N[C@H](C(=O)OCc1ccccc1)CC(C)C 1P002P9W [0,1,0,0,0,1|1,0,0]=3 220 B16R1.22556 O=C(CNC(C)(C)C)OCc1ccccc1 1P007GMY [0,1,0,0,0,1|2,0,0]=4 221 B16R1.22556 O=C(NCC(O)(C)C)OCc1ccccc1 1P01B2NT [0,1,0,0,0,1|1,0,0]=3 222 B16R1.22556 O=C(OCC(F)(F)F)CCc1ccccc1 1P002O1M [0,1,0,0,0,1|2,0,0]=4 223 B16R1.22556 O=C(OCC(F)(F)F)NCc1ccccc1 1P019PMI [0,1,0,0,0,1|2,0,0]=4 224 B16R1.4 OCc1ccc(cc1)NC(=O)OCC(C)C 1P01DU8Y [0,2,0,0,0,0|1,0,0]=3 225 B16R1.560 COC(CNC(=O)Cc1ccccc1)OC 1P003YZL [0,2,0,0,0,0|1,0,0]=3 226 B14R2.19 C[C@@H]1COC(=N1)Cc2ccccn2 1P024HXC [1,0,0,1,0,0|2,0,0]=4 227 B14R2.19 C[C@H]1COC(=N1)Cc2ccccn2 1P024HNC [1,0,0,1,0,0|2,0,0]=4 228 B14R2.24 O=C1CCCCC1c2ccccc2 1P001JXF [1,0,0,1,0,0|1,0,0]=3 229 B14R2.24 O=C1CCCCN1c2ccccc2 1P00DA8N [1,0,0,1,0,0|2,0,0]=4 230 B14R2.24 O=C1CCOCC1c2ccccc2 1P01WTDI [1,0,0,1,0,0|2,0,0]=4 231 B14R2.24 O=C1NCCNC1c2ccccc2 1P00DC14 [1,0,0,1,0,0|2,0,0]=4 232 B14R2.24 O=C1NCCNC1c2ccccc2 1P01FKPO [1,0,0,1,0,0|2,0,0]=4 233 B14R2.24 O=C1NCCN[C@@H]1c2ccccc2 1P00HHZL [1,0,0,1,0,0|2,0,0]=4 234 B14R2.24 O=C1NCCN[C@H]1c2ccccc2 1P00HHZK [1,0,0,1,0,0|2,0,0]=4 235 B14R2.24 O=C1NCCSC1c2ccccc2 1P005XYV [1,0,0,1,0,0|2,0,0]=4 236 B14R2.24 O=C1OCCNC1c2cccnc2 1P01BSHF [1,0,0,1,0,0|2,0,0]=4 237 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [1,0,0,1,0,0|1,0,0]=3 238 B14R2.343 C[C@@H]1C[C@@H]1C(=O)Nc2ccccc2 1P0287RT [1,0,0,1,0,0|2,0,0]=4 239 B14R2.343 C[C@@H]1C[C@H]1C(=O)Nc2ccccc2 1P028GPV [1,0,0,1,0,0|2,0,0]=4 240 B14R2.391 O=C1CCCCc2c(C1)cccc2 1P01BU4R [1,0,0,1,0,0|1,0,0]=3 241 B14R2.391 O=C1CCCCc2c(N1)cccc2 1P007PI7 [1,0,0,1,0,0|2,0,0]=4 242 B14R2.517 CCCn1c(=O)[nH]c2c1cccc2 1P005H99 [1,0,0,1,0,0|2,0,0]=4 243 B14R2.517 NCCN1C(=O)Cc2c1cccc2 1P01A9KC [1,0,0,1,0,0|2,0,0]=4 244 B14R2.517 NCCN1C(=O)Cc2c1cccc2 1P028Z21 [1,0,0,1,0,0|2,0,0]=4 245 B14R2.9589 O=C(C1CCC1)Cc2ccccc2 1P01KKUE [1,0,0,1,0,0|1,0,0]=3 246 B14R2.9589 O=C(C1CCC1)Nc2ccccc2 1P00AOEL [1,0,0,1,0,0|2,0,0]=4 247 B14R2.9593 O=C(Nc1ccccc1)CC2CC2 1P01BUFW [1,0,0,1,0,0|2,0,0]=4 248 B14R2.9593 O=C(Oc1ccccc1)NC2CC2 1P006CV6 [1,0,0,1,0,0|2,0,0]=4 249 B14R2.2 CC(Cn1cnc2c1cccc2)C 1P00BT42 [1,0,0,1,0,0|2,0,0]=4 250 B14R2.21 CC1CCOC(C1)c2ccccc2 1P0066PG [1,0,0,1,0,0|2,0,0]=4 251 B14R2.21 CC1CNCC(C1)c2ccccc2 1P01C26E [1,0,0,1,0,0|1,0,1]=4 252 B14R2.21 C[C@@H]1CNC[C@@H](C1)c2ccccc2 1P027XCS [1,0,0,1,0,0|1,0,1]=4 253 B14R2.21 C[C@@H]1CNC[C@H](C1)c2ccccc2 1P0280LC [1,0,0,1,0,0|1,0,1]=4 254 B14R2.21 C[C@@H]1COC[C@H](N1)c2ccccc2 1P028AQZ [1,0,0,1,0,0|1,0,1]=4 255 B14R2.21 C[C@H]1COC[C@H](N1)c2ccccc2 1P028DM9 [1,0,0,1,0,0|1,0,1]=4 256 B14R2.333 CC1(C)CNCC1c2ccccc2 1P01A1TB [1,0,0,1,0,0|1,0,1]=4 257 B14R2.5495 CC1(C)CNCCc2c1cccc2 1P01B5DO [1,0,0,1,0,0|1,0,1]=4 258 B14R2.31359 CC(C1NCCc2c1cccc2)C 1P00GFVP [1,0,0,1,0,0|1,0,1]=4 259 B14R2.31359 CC(C1OCCc2c1cccc2)N 1P027VTD [1,0,0,1,0,0|1,0,1]=4 260 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ccccc2 1P028GGI [0,0,0,1,1,0|1,0,0]=3 261 B14R2.403 CC1(C)COC(=N1)c2ccccc2 1P003KWK [0,0,0,1,1,0|1,0,0]=3 262 B14R2.403 CC1(C)COC(=N1)c2ccccn2 1P007TAN [0,0,0,1,1,0|2,0,0]=4 263 B14R2.403 CC1(C)COC(=N1)c2cccnc2 1P00FBL5 [0,0,0,1,1,0|2,0,0]=4 264 B14R2.422 FC1CN(C1)C(=O)c2ccccc2 1P027VKS [0,0,0,1,1,0|2,0,0]=4 265 B14R2.422 NC1CN(C1)C(=O)c2ccccc2 1P004CD3 [0,0,0,1,1,0|2,0,0]=4 266 B14R2.422 OC1CN(C1)C(=O)c2ccccc2 1P00CDQC [0,0,0,1,1,0|2,0,0]=4 267 B14R2.792 O=C(c1ccccc1)OCC2OC2 1P0080GA [0,0,0,1,1,0|1,0,0]=3 268 B14R2.25733 CC(C1CC(=O)c2c1cccc2)C 1P01BF7W [0,0,0,1,1,0|1,0,0]=3 269 B14R2.25733 CN(C1OC(=O)c2c1cccc2)C 1P02859W [0,0,0,1,1,0|1,0,0]=3 270 B14R2.29285 O=C1CCC(c2c1cccc2)(C)C 1P00BDV8 [0,0,0,1,1,0|1,0,0]=3 271 B14R2.29285 O=C1CCC(c2c1cccn2)(C)C 1P028XPU [0,0,0,1,1,0|2,0,0]=4 272 B14R2.29285 O=C1NCC(c2c1cccc2)(C)C 1P01C4CK [0,0,0,1,1,0|1,0,0]=3 273 B14R2.29285 O=C1NC[Si](c2c1cccc2)(C)C 1P01DYPU [0,0,0,1,1,0|1,1,0]=4 274 B14R2.445 O=C1CC(C1c2ccccc2)(C)C 1P0280YR [0,0,0,1,1,0|0,0,0]=2 275 B14R2.598 NC1CN(C(=O)C1)c2ccccc2 1P00C2GO [0,0,0,1,1,0|2,0,0]=4 276 B14R2.598 O=C1OC(=O)CC1c2ccccc2 1P003U6U [0,0,0,1,1,0|1,0,1]=4 277 B14R2.598 O=C1OC(=O)C[C@H]1c2ccccc2 1P000DEV [0,0,0,1,1,0|1,0,1]=4 278 B14R2.642 CC(C1C(=O)Nc2c1cccc2)C 1P00DJMU [0,0,0,1,1,0|1,0,0]=3 279 B14R2.738 CC1CC(=O)Nc2c(N1)cccc2 1P00C0OL [0,0,0,1,1,0|2,0,0]=4 280 B14R2.738 O=C1CC(C)Sc2c(N1)cccc2 1P019N87 [0,0,0,1,1,0|2,0,0]=4 281 B14R2.768 CC(Cc1nc2c([nH]1)cccc2)C 1P00EK16 [0,0,0,1,1,0|2,0,0]=4 282 B14R2.4874 NC1(CC1(C)C)Cc2ccccc2 1P028MY3 [0,0,0,1,1,0|1,0,1]=4 283 B14R2.4893 CC1(C)CN(C1)Cc2ccccc2 1P01A655 [0,0,0,1,1,0|2,0,0]=4 284 B14R2.8189 NC1Cc2ccccc2C(C1)(C)C 1P028VSC [0,0,0,1,1,0|1,0,1]=4 285 B14R2.8189 O=C1Cc2ccccc2C(C1)(C)C 1P028M28 [0,0,0,1,1,0|0,0,0]=2 286 B14R2.8189 O=C1Nc2ccccc2C(C1)(C)C 1P008PXN [0,0,0,1,1,0|1,0,0]=3 287 B16R2.84 CC([C@@H]1COC(=N1)Cc2ccccn2)C 1P024HMJ [0,0,0,1,0,1|2,0,0]=4 288 B16R2.84 CC([C@H]1COC(=N1)Cc2ccccn2)C 1P01XC3R [0,0,0,1,0,1|2,0,0]=4 289 B16R2.2843 NC1CCN(C1)C(=O)Cc2ccccc2 1P00ICS1 [0,0,0,1,0,1|2,0,0]=4 290 B16R2.2843 NC1CCN(C1)C(=O)Cc2ccccc2 1P028V6G [0,0,0,1,0,1|2,0,0]=4 291 B16R2.317 NC1CCC(=O)N(C1)Cc2ccccc2 1P001PFO [0,0,0,1,0,1|2,0,0]=4 292 B16R2.477 CC(COc1ccc2c(c1)cccc2)C 1P003HXR [0,0,0,1,0,1|1,0,1]=4 293 B16R2.3322 BrC1CN(C1)C(=O)OCc2ccccc2 1P00H1NO [0,0,0,1,0,1|2,0,0]=4 294 B16R2.3322 IC1CN(C1)C(=O)OCc2ccccc2 1P005X86 [0,0,0,1,0,1|2,0,0]=4 295 B16R2.3322 NC1CN(C1)C(=O)OCc2ccccc2 1P0038FW [0,0,0,1,0,1|2,0,0]=4 296 B16R2.3322 OC1CC(C1)C(=O)OCc2ccccc2 1P006YHB [0,0,0,1,0,1|2,0,0]=4 297 B16R2.3322 OC1CN(C1)C(=O)OCc2ccccc2 1P000Y9L [0,0,0,1,0,1|2,0,0]=4 298 B16R2.3322 O[C@@H]1C[C@@H](C1)C(=O)OCc2ccccc2 1P00DLKN [0,0,0,1,0,1|2,0,0]=4 299 B16R2.3322 O[C@@H]1C[C@H](C1)C(=O)OCc2ccccc2 1P00HS7Y [0,0,0,1,0,1|2,0,0]=4 300 B16R2.12599 CC1(C)CSC(=N1)NCc2ccccc2 1P000NNJ [0,0,0,1,0,1|1,1,0]=4 301 B16R2.44147 O=C(C1OC1(C)C)OCc2ccccc2 1P028TYB [0,0,0,1,0,1|2,0,0]=4 302 B16R2.44153 O=C(NCC1OC1)OCc2ccccc2 1P01DVP0 [0,0,0,1,0,1|2,0,0]=4 303 B16R2.27733 O=C(N1CC(C1)(C)O)Oc2ccccc2 1P01EN68 [0,1,0,1,0,0|2,0,0]=4 304 B16R2.1895 FC[C@@H]1C[C@@H](C1)C(=O)Nc2ccccc2 1P0280VA [0,1,0,1,0,0|2,0,0]=4 305 B16R2.1895 FC[C@@H]1C[C@H](C1)C(=O)Nc2ccccc2 1P0280B1 [0,1,0,1,0,0|2,0,0]=4 306 B16R2.44951 CC(CN1c2ccccc2C(=O)C1=O)C 1P00G4BL [0,1,0,1,0,0|1,0,1]=4 307 B16R2.1625 O=Cc1nc2c(n1CC(C)C)cccc2 1P00EERJ [0,1,0,1,0,0|2,0,0]=4 308 B16R2.3343 CC([C@@H]1OC(=O)[C@H]1c2ccccc2)(C)C 1P028NEW [0,1,0,1,0,0|0,0,0]=2 309 B16R3.36793 O=C(C1CC12CC2)Nc3ccccc3 1P028ZBX [0,0,0,2,0,0|2,0,0]=4 310 B12R1.30 BrCCOC(=O)c1ccccc1 1P0032Q6 [1,0,0,0,1,0|1,0,0]=3 311 B12R1.30 C#CCOC(=O)c1ccccc1 1P003UFO [1,0,0,0,1,0|0,0,2]=4 312 B12R1.30 C=CCOC(=O)c1ccccc1 1P003O69 [1,0,0,0,1,0|0,0,2]=4 313 B12R1.30 CCCCC(=O)c1ccccc1 1P0003LL [1,0,0,0,1,0|1,0,0]=3 314 B12R1.30 CCCCC(=O)c1cccnc1 1P0079EW [1,0,0,0,1,0|2,0,0]=4 315 B12R1.30 CCCCC(=O)c1ccncc1 1P00ARKV [1,0,0,0,1,0|2,0,0]=4 316 B12R1.30 CCCNC(=O)c1ccccc1 1P007WVC [1,0,0,0,1,0|1,0,0]=3 317 B12R1.30 CCCNC(=O)c1cccnc1 1P01BVOT [1,0,0,0,1,0|2,0,0]=4 318 B12R1.30 CCCOC(=O)c1ccccc1 1P002MUW [1,0,0,0,1,0|0,0,0]=2 319 B12R1.30 CCCOC(=O)c1cccnc1 1P00G87P [1,0,0,0,1,0|1,0,0]=3 320 B12R1.30 CCONC(=O)c1ccccc1 1P006Y6K [1,0,0,0,1,0|2,0,0]=4 321 B12R1.30 CCSCC(=O)c1ccccc1 1P0008NQ [1,0,0,0,1,0|2,0,0]=4 322 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [1,0,0,0,1,0|2,0,0]=4 323 B12R1.30 COCCC(=O)c1ccccc1 1P01A2HK [1,0,0,0,1,0|2,0,0]=4 324 B12R1.30 ClCCCC(=O)c1ccccc1 1P0034GQ [1,0,0,0,1,0|2,0,0]=4 325 B12R1.30 ClCCNC(=O)c1ccccc1 1P002TGB [1,0,0,0,1,0|2,0,0]=4 326 B12R1.30 ClCCOC(=O)c1ccccc1 1P003HIW [1,0,0,0,1,0|1,0,0]=3 327 B12R1.30 FCCNC(=O)c1ccccc1 1P01IDSX [1,0,0,0,1,0|2,0,0]=4 328 B12R1.30 NCCNC(=O)c1ccccc1 1P00ASHH [1,0,0,0,1,0|2,0,0]=4 329 B12R1.30 O=CCOC(=O)c1ccccc1 1P00E944 [1,0,0,0,1,0|1,0,1]=4 330 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [1,0,0,0,1,0|2,0,0]=4 331 B12R1.30 OCCNC(=O)c1ccccc1 1P002HBP [1,0,0,0,1,0|2,0,0]=4 332 B12R1.30 OCCOC(=O)c1ccccc1 1P00GXUZ [1,0,0,0,1,0|1,0,0]=3 333 B12R1.30 OCCOC(=O)c1cccnc1 1P00CVQS [1,0,0,0,1,0|2,0,0]=4 334 B12R1.30 SCCNC(=O)c1ccccc1 1P02911S [1,0,0,0,1,0|2,0,0]=4 335 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [1,0,0,0,1,0|0,0,2]=4 336 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [1,0,0,0,1,0|1,0,1]=4 337 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [1,0,0,0,1,0|1,0,1]=4 338 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [1,0,0,0,1,0|1,0,1]=4 339 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [1,0,0,0,1,0|1,0,0]=3 340 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [1,0,0,0,1,0|1,0,0]=3 341 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [1,0,0,0,1,0|2,0,0]=4 342 B12R1.252 CC(CNCc1ccccn1)C 1P00427Z [1,0,0,0,1,0|2,0,0]=4 343 B12R1.252 CC(CNCc1cccnc1)C 1P00J3Z1 [1,0,0,0,1,0|2,0,0]=4 344 B12R1.252 CC(CNCc1ccncc1)C 1P00J4FX [1,0,0,0,1,0|2,0,0]=4 345 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [1,0,0,0,1,0|1,0,0]=3 346 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [1,0,0,0,1,0|1,0,0]=3 347 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [1,0,0,0,1,0|1,0,0]=3 348 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [1,0,0,0,1,0|1,1,0]=4 349 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [1,0,0,0,1,0|1,0,1]=4 350 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [1,0,0,0,1,0|1,0,1]=4 351 B12R1.252 CC(OCCc1ccccn1)C 1P005H4T [1,0,0,0,1,0|1,0,1]=4 352 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [1,0,0,0,1,0|1,0,1]=4 353 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [1,0,0,0,1,0|1,0,0]=3 354 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [1,0,0,0,1,0|1,0,0]=3 355 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [1,0,0,0,1,0|1,0,0]=3 356 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [1,0,0,0,1,0|1,0,0]=3 357 B12R1.54 CC(CCC(=O)c1cocc1)C 1P00DJXQ [0,0,0,0,2,0|2,0,0]=4 358 B12R1.54 CC(COC(=O)c1ccco1)C 1P0028VC [0,0,0,0,2,0|1,0,0]=3 359 B12R1.107 CC(CC(=O)c1ccccc1)C 1P00IATM [0,0,0,0,2,0|0,0,0]=2 360 B12R1.107 CC(CC(=O)c1ccccc1)N 1P01A02K [0,0,0,0,2,0|1,0,0]=3 361 B12R1.107 CC(CC(=O)c1ccccn1)C 1P005LDF [0,0,0,0,2,0|1,0,0]=3 362 B12R1.107 CC(CC(=O)c1cccnc1)C 1P008K17 [0,0,0,0,2,0|1,0,0]=3 363 B12R1.107 CC(CC(=O)c1ccncc1)C 1P01C5MA [0,0,0,0,2,0|1,0,0]=3 364 B12R1.107 CC(CC(=O)c1cncnc1)C 1P0285TH [0,0,0,0,2,0|2,0,0]=4 365 B12R1.107 CC(N=C(c1ccccc1)Cl)C 1P00FG3V [0,0,0,0,2,0|2,0,0]=4 366 B12R1.107 CC(NC(=O)c1ccccc1)C 1P00DJ14 [0,0,0,0,2,0|1,0,0]=3 367 B12R1.107 CC(OC(=O)c1ccccc1)C 1P00GSIP [0,0,0,0,2,0|0,0,0]=2 368 B12R1.107 CC(OC(=O)c1cccnc1)C 1P00DCI7 [0,0,0,0,2,0|1,0,0]=3 369 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [0,0,0,0,2,0|1,0,0]=3 370 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,0,0,0,2,0|1,0,1]=4 371 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,0,0,0,2,0|1,0,1]=4 372 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,0,0,0,2,0|1,0,1]=4 373 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,0,0,0,2,0|1,0,1]=4 374 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,0,0,0,2,0|1,0,1]=4 375 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,0,0,0,2,0|1,0,1]=4 376 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,0,0,0,2,0|1,0,1]=4 377 B12R1.107 O=C(c1ccccc1)C[S+](C)C 1P002PYK [0,0,0,0,2,0|1,0,0]=3 378 B12R1.43 CC(C(=O)Cc1ccccc1)Cl 1P019W1A [0,0,0,0,2,0|1,0,0]=3 379 B12R1.43 CC(C(=O)Cc1ccccc1)N 1P01A27E [0,0,0,0,2,0|1,0,0]=3 380 B12R1.43 CC(C(=O)Nc1ccccc1)Br 1P00736W [0,0,0,0,2,0|2,0,0]=4 381 B12R1.43 CC(C(=O)Nc1ccccc1)C 1P00E041 [0,0,0,0,2,0|1,0,0]=3 382 B12R1.43 CC(C(=O)Nc1ccccc1)Cl 1P00C1IU [0,0,0,0,2,0|2,0,0]=4 383 B12R1.43 CC(C(=O)Nc1ccccc1)N 1P00AUNF [0,0,0,0,2,0|2,0,0]=4 384 B12R1.43 CC(C(=O)Nc1ccccc1)O 1P019ZV0 [0,0,0,0,2,0|2,0,0]=4 385 B12R1.43 CC(C(=O)Oc1ccccc1)C 1P0028VL [0,0,0,0,2,0|1,0,0]=3 386 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [0,0,0,0,2,0|1,0,0]=3 387 B12R1.43 CN(C(=O)Oc1ccccc1)C 1P00FVID [0,0,0,0,2,0|2,0,0]=4 388 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)N 1P028VFV [0,0,0,0,2,0|2,0,0]=4 389 B12R1.43 C[C@@H](C(=O)Oc1ccccc1)N 1P028S9M [0,0,0,0,2,0|2,0,0]=4 390 B12R1.43 C[C@H](C(=O)Nc1ccccc1)N 1P028VMB [0,0,0,0,2,0|2,0,0]=4 391 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,0,0,0,2,0|1,0,1]=4 392 B12R1.43 O=C(C(C)C)Cc1cccnc1 1P01BH1U [0,0,0,0,2,0|1,0,0]=3 393 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,0,0,0,2,0|0,0,2]=4 394 B14R1.156 BrCCCC(=O)OCc1ccccc1 1P000T9E [1,0,0,0,0,1|2,0,0]=4 395 B14R1.156 BrCCNC(=O)OCc1ccccc1 1P003C2R [1,0,0,0,0,1|2,0,0]=4 396 B14R1.156 C=CCOC(=O)COc1ccccc1 1P005GOP [1,0,0,0,0,1|0,0,2]=4 397 B14R1.156 CCCCC(=O)OCc1ccccc1 1P0038TH [1,0,0,0,0,1|1,0,0]=3 398 B14R1.156 CCCOC(=O)\C=C\c1ccccc1 1P005S7N [1,0,0,0,0,1|0,0,1]=3 399 B14R1.156 CNCCC(=O)OCc1ccccc1 1P01DWVK [1,0,0,0,0,1|2,0,0]=4 400 B14R1.156 COCNC(=O)OCc1ccccc1 1P019FIU [1,0,0,0,0,1|2,0,0]=4 401 B14R1.156 ICCNC(=O)OCc1ccccc1 1P00FEQ6 [1,0,0,0,0,1|2,0,0]=4 402 B14R1.156 NCCCC(=O)OCc1ccccc1 1P0054QJ [1,0,0,0,0,1|2,0,0]=4 403 B14R1.156 NCCCC(=O)OCc1ccccc1 1P007L7Z [1,0,0,0,0,1|2,0,0]=4 404 B14R1.156 NCCNC(=O)COc1ccccc1 1P019N5O [1,0,0,0,0,1|2,0,0]=4 405 B14R1.156 NCCNC(=O)OCc1ccccc1 1P003A8G [1,0,0,0,0,1|2,0,0]=4 406 B14R1.156 NCCNC(=O)OCc1ccccc1 1P008REV [1,0,0,0,0,1|2,0,0]=4 407 B14R1.156 OCCCC(=O)OCc1ccccc1 1P006672 [1,0,0,0,0,1|2,0,0]=4 408 B14R1.156 OCCNC(=O)OCc1ccccc1 1P0038WD [1,0,0,0,0,1|2,0,0]=4 409 B14R1.156 OCCOC(=O)NCc1ccccc1 1P00DFU3 [1,0,0,0,0,1|1,0,0]=3 410 B16R1.608 CC(CCNC(=O)OCc1ccccc1)O 1P01JM6F [0,0,0,0,0,2|2,0,0]=4 411 B16R1.608 CC(CCOC(=O)\C=C\c1ccccc1)C 1P003RIV [0,0,0,0,0,2|0,0,1]=3 412 B16R1.608 CC(OCNC(=O)OCc1ccccc1)C 1P003T92 [0,0,0,0,0,2|1,0,0]=3