0 B14R1.863 CNC(=O)COC1=C(C=CC=C1)OC Z19753711 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.863 COC1=C(C=CC=C1)OCC(=O)NN Z56867217 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.863 COC1=C(C=CC=C1)OCC(C)CN Z406340940 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.863 COC1=C(C=CC=C1)OCC(O)CO Z1255415511 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN Z1263714109 [0,0,0,0,0,0|2,1,0]=3 5 B14R1.863 CSC1=C(C=CC=C1)CSC(C)CO Z1636429101 [0,0,0,0,0,0|3,1,0]=4 6 B13R1.84 CCCCOC1=C(C=CC=C1)C=O Z57887827 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.84 CCCCOC1=C(C=CC=C1)CO Z335246938 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.84 CNCCOC1=C(C=CC=C1)OC Z140171978 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.84 COC1=C(C=CC=C1)CNCCO Z90504596 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.84 COC1=C(C=CC=C1)COCCN Z1895566846 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.84 COC1=C(C=CC=C1)NCCC#N Z56813571 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.84 COC1=C(C=CC=C1)NCCCO Z104593706 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.84 COC1=C(C=CC=C1)OCCC#N Z54337532 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.84 COC1=C(C=CC=C1)OCCCN Z271006104 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.84 COC1=C(C=CC=C1)OCCCO Z425795906 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.84 N#CC1=C(C=CC=C1)OCCCO Z51119269 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.90 CC(C)COC1=C(C=CC=C1)C#N Z51119314 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O Z53833346 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.90 CC(O)COC1=C(C=CC=C1)CN Z1695784079 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [1,0,0,0,0,0|1,0,2]=4 23 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [1,0,0,0,0,0|0,0,2]=3 24 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [1,0,0,0,0,0|0,0,2]=3 25 B13R1.90 COC1=C(C=CC=C1)OCC(C)N Z744843996 [1,0,0,0,0,0|1,0,0]=2 26 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [1,0,0,0,0,0|0,1,2]=4 27 B13R1.528 CCC(N)COC1=C(C=CC=C1)F Z1268152369 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br Z295439386 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.528 O=C(COC1=C(C=CC=C1)O)NO Z57931373 [1,0,0,0,0,0|1,0,2]=4 30 B13R1.528 OCC(O)CSC1=C(C=CC=N1)Br Z1340655220 [1,0,0,0,0,0|2,1,0]=4 31 B15R1.273 CCOC1=C(C=CC=C1)OCC(O)CO Z1509558249 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.1108 O=[N+]([O-])C1=C(C=CC=C1)SCC(O)CO Z1340655250 [0,1,0,0,0,0|2,1,0]=4 33 B15R1.4804 N#CC1=C(C=CC=C1F)SCC(O)CO Z1340654875 [0,1,0,0,0,0|2,1,0]=4 34 B15R2.2189 COC1=C(C=CC=C1)N2CCC(C2)N Z415646824 [0,0,0,1,0,0|3,0,0]=4 35 B15R2.20918 COC1=C2CCC(C2=CC=C1)(N)CO Z2108816065 [0,0,0,1,0,0|2,0,0]=3 36 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC Z1691545280 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.91 COC1=C(C=CC=C1)CC(=O)NO Z59183139 [0,0,0,0,1,0|1,0,2]=4 38 B12R1.121 C#CCOC1=C(C=CC=C1)OC Z54471924 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.121 CNCCC1=C(C=CC=C1)OC Z159528470 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.121 COC1=C(C=CC=C1)NCCO Z335255666 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.121 COC1=C(C=CC=C1)OCCBr Z57842348 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.121 COC1=C(C=CC=C1)OCCCl Z381039148 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.121 COC1=C(C=CC=C1)OCCN Z56968779 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.267 CC1=C(C=CC=C1)OCCC#N Z54337106 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.267 CC1=C(C=CC=C1)OCCCN Z271006092 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.267 CC1=C(C=CC=C1)OCCNN Z56978182 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.267 CNCCOC1=C(C=CC=C1)C Z138105348 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.267 NCCCOC1=C(C=CC=C1)F Z126954254 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.125 CC(N)COC1=C(C=CC=C1)F Z271016180 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [2,0,0,0,0,0|0,0,2]=4 59 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [2,0,0,0,0,0|0,0,2]=4 61 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [2,0,0,0,0,0|0,0,0]=2 65 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O Z398366562 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O Z56813547 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.96 COC1=C(C=CC=C1)OCCC(=O)O Z56843581 [1,1,0,0,0,0|0,0,1]=3 68 B14R1.476 CCNCCOC1=C(C=CC=C1)OC Z2582801236 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.476 CNCCCOC1=C(C=CC=C1)OC Z364247240 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.476 COC1=C(C=CC=C1)CNCCCO Z108566622 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.476 O=CC1=C(C=CC=C1)OCCCCO Z426058840 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.883 COC1=C(C=C(C=C1)Br)SCCCO Z1259412038 [1,1,0,0,0,0|0,1,0]=3 73 B14R1.883 COCCOC1=C(C=CC(=C1)N)OC Z285182404 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.904 CCOC1=C(C=CC=C1)OCCC#N Z54338008 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.93 COC1=C(C=CC=C1)SCC(C)(C)O Z802639874 [1,1,0,0,0,0|0,1,0]=3 76 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O Z56824183 [1,1,0,0,0,0|0,0,2]=4 77 B14R1.840 COC1=C(C=CC=C1)C(N)CC(C)C Z513791346 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.840 COC1=C(C=CC=C1)C(O)CC(C)C Z513747936 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O Z56917414 [1,1,0,0,0,0|0,0,2]=4 80 B14R1.3135 COC1=C(C=CC=C1)CC(N)C(C)C Z734162788 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.3135 COC1=C(C=CC=C1)NC(=O)C(C)O Z1033253338 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O Z57825370 [1,1,0,0,0,0|0,0,2]=4 83 B14R1.15 NCC(O)COC1=C(C(=CC=C1)Cl)Cl Z317259634 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.19598 CC1=CC=CC(=C1OCC(O)CN)C Z271072240 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO Z2725042637 [0,1,0,0,1,0|1,0,0]=3 86 B16R1.4324 COC1=C(C=C(C=C1)Cl)CSCC(O)CO Z1340655944 [0,1,0,0,0,1|0,1,0]=3 87 B16R1.4324 COC1=C(C=C(C=C1)F)CSCC(O)CO Z1340655858 [0,1,0,0,0,1|0,1,0]=3 88 B16R1.4780 COC1=C(C=CC(=C1)Br)CNCC(C)CO Z1638825016 [0,1,0,0,0,1|2,0,0]=4 89 B16R1.16824 CC(=O)C1=C(C=CC=C1F)NCC(O)CO Z1765129466 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.93 OCC1CCC2=C(C=CC=C2)CC1 Z3491027226 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.98 COC1=C(C=CC=C1)C2CCCN2 Z281773790 [1,0,0,1,0,0|2,0,0]=4 92 B14R2.112 CNCC1COC2=C(O1)C=CC=C2 Z56960248 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.112 N#CCC1COC2=C(O1)C=CC=C2 Z1198156412 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.112 NCCC1COC2=C(O1)C=CC=C2 Z1198157388 [1,0,0,1,0,0|1,0,0]=3 95 B14R2.112 NCCC1CSC2=C(O1)C=CC=C2 Z2379807813 [1,0,0,1,0,0|1,1,0]=4 96 B14R2.112 OCCC1CCC2=C(N1)C=CC=C2 Z1255425793 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.1078 COC1=C2CCCC(C2=CC=C1)N Z3235032393 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.1078 COC1=C2NCCC(C2=CC=C1)C Z1198183890 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.1078 COC1=C2OCCC(=O)C2=CC=C1 Z382721006 [1,0,0,1,0,0|0,0,2]=4 100 B14R2.1078 COC1=C2OCCC(C2=CC=C1)N Z1262254399 [1,0,0,1,0,0|1,0,0]=3 101 B14R2.1078 COC1=C2OCCC(C2=CC=C1)O Z1255462359 [1,0,0,1,0,0|0,0,0]=2 102 B14R2.1914 COC1=C(C=CC=C1)OC2CNC2 Z3013892494 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.11625 COC1=C(C=CC=C1)OCC2CO2 Z147642768 [1,0,0,1,0,0|0,0,0]=2 104 B14R2.11625 CSC1=C(C=CC=C1)OCC2CO2 Z1143285271 [1,0,0,1,0,0|0,1,0]=3 105 B14R2.11625 N#CC1=C(C=CC=C1)OCC2CO2 Z285167128 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.11637 COC1=C2CNCCOC2=CC=C1 Z5088970046 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.11637 O=CC1=C2OCCCOC2=CC=C1 Z432060922 [1,0,0,1,0,0|2,0,0]=4 108 B14R2.450 CC(N)C1OC2=C(C1C)C=CC=C2 Z1365534381 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(C)O Z445987528 [1,0,0,1,0,0|1,0,1]=4 110 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [1,0,0,1,0,0|0,0,2]=4 111 B14R2.1073 COC1=C2CCC(CC2=CC=C1)N Z2574933282 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.1073 COC1=C2OC=C(CC2=CC=C1)O Z1198269535 [1,0,0,1,0,0|0,0,2]=4 113 B14R2.1073 COC1=C2OCC(CC2=CC=C1)N Z1095213938 [1,0,0,1,0,0|1,0,0]=3 114 B14R2.2967 COC1=C(C=CC=C1)[C@H]2C[C@@H](C2)N Z3569319916 [1,0,0,1,0,0|2,0,0]=4 115 B14R2.2973 CC1(CNC2=C(C1)C=CC=C2)CO Z3248142630 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.2973 CC1(CNC2=C(O1)C=CC=C2)CO Z2723520460 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.2973 NC1(COC2=C(C1)C=CC=C2)CO Z2648263099 [1,0,0,1,0,0|1,0,0]=3 118 B14R2.95 NC(CO)C1CCC2=C1C=CC=C2 Z3301766357 [0,0,0,1,1,0|2,0,0]=4 119 B16R2.36806 COC1=C2OCC(CC2=CC=C1)C(=O)O Z363996242 [0,1,0,1,0,0|1,0,1]=4 120 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [1,0,0,0,1,0|0,0,2]=4 121 B12R1.75 COC1=C(C=CC=C1)CC(C)O Z445987128 [1,0,0,0,1,0|0,0,0]=2 122 B12R1.75 COC1=C(C=CC=C1)NC(C)C Z267171966 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [1,0,0,0,1,0|1,1,0]=4 124 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [1,0,0,0,1,0|1,0,0]=3 125 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [1,0,0,0,1,0|2,0,0]=4 126 B12R1.77 CCC(N)C1=C(C=CC=C1)OC Z234894889 [0,0,0,0,2,0|2,0,0]=4 127 B12R1.77 COC1=C(C=CC=C1)C(C)CN Z415655038 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.77 COC1=C(C=CC=C1)C(N)CN Z425861114 [0,0,0,0,2,0|2,0,0]=4 129 B12R1.77 COC1=C(C=CC=C1)C(O)CN Z336086524 [0,0,0,0,2,0|1,0,0]=3 130 B12R1.77 COC1=C(N=CC=C1)C(O)CN Z3601606840 [0,0,0,0,2,0|2,0,0]=4