0 B14R1.4522 C=C(Br)COC1=C(C=CC=C1)C(=O)N Z784937476 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,0,0,0,0,0|2,1,0]=3 3 B14R1.4522 CC(C)C1=C(C=CC=C1)OCC(=O)O Z56917412 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)N Z54420065 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O Z118459080 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [0,0,0,0,0,0|0,0,0]=0 8 B14R1.4522 NC(=O)CNC1=C(C=CC=C1)C(=O)N Z232511850 [0,0,0,0,0,0|2,0,0]=2 9 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.4522 NC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] Z19741885 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.4522 NC(=O)COC1=C(N=CC=C1)C(=O)O Z808643236 [0,0,0,0,0,0|3,0,0]=3 12 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [0,0,0,0,0,0|2,1,0]=3 13 B14R1.4522 O=C(O)/C=C/C1=C(C=CC=C1)[N+](=O)[O-] Z2942852653 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)[N+](=O)[O-] Z426022322 [0,0,0,0,0,0|3,0,0]=3 15 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z57226712 [0,0,0,0,0,0|3,0,0]=3 16 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(F)F Z2681245744 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.4522 O=C(O)COC1=C(C=CC=C1)[N+](=O)[O-] Z56824600 [0,0,0,0,0,0|2,0,0]=2 18 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,0,0,0,0,0|1,1,0]=2 19 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)[N+](=O)[O-] Z31205652 [0,0,0,0,0,0|2,1,0]=3 20 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O Z71176921 [0,0,0,0,0,0|2,1,0]=3 21 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O Z53833346 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.90 CC(O)COC1=C(C=CC=C1)CN Z1695784079 [1,0,0,0,0,0|1,0,2]=4 23 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [1,0,0,0,0,0|2,0,0]=3 28 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [1,0,0,0,0,0|2,1,0]=4 29 B13R1.90 N#CC1=C(C=CC=C1)CCC(=O)O Z227834792 [1,0,0,0,0,0|1,0,2]=4 30 B13R1.90 N#CC1=C(C=CC=C1)OCC(=O)O Z56824601 [1,0,0,0,0,0|0,0,2]=3 31 B13R1.90 N#CC1=C(C=CC=C1)SCC(=O)O Z335292558 [1,0,0,0,0,0|0,1,2]=4 32 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O Z19659059 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.90 NCC1=C(C=CC=C1)CCC(=O)O Z3282061068 [1,0,0,0,0,0|1,0,1]=3 34 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [1,0,0,0,0,0|0,0,0]=1 35 B13R1.90 O=CC1=C(C=CC=C1)OCC(F)F Z608352792 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O Z57921219 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O Z149170952 [1,0,0,0,0,0|2,1,0]=4 38 B13R1.572 CCCOC1=C(C=CC=C1)C(=S)N Z295385426 [1,0,0,0,0,0|1,1,1]=4 39 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCO Z149199514 [1,0,0,0,0,0|0,0,1]=2 40 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO Z118461564 [1,0,0,0,0,0|1,0,1]=3 42 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO Z118461552 [1,0,0,0,0,0|1,1,1]=4 43 B13R1.572 O=C(O)C1=C(N=CC=C1)OCCO Z332379854 [1,0,0,0,0,0|2,0,1]=4 44 B15R1.985 CCC(C)C1=C(C=CC=C1)OCC(=O)O Z57265386 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.985 COC(=O)C1=C(C=CC=C1)CCC(=O)O Z1508930382 [0,1,0,0,0,0|2,0,0]=3 46 B15R1.985 COC(=O)C1=C(C=CC=N1)CCC(=O)O Z3032822017 [0,1,0,0,0,0|3,0,0]=4 47 B15R1.1108 CNC(=O)COC1=C(C=CC=C1)C(=O)N Z15685607 [0,1,0,0,0,0|1,0,0]=2 48 B15R1.1108 CNC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950835 [0,1,0,0,0,0|2,1,0]=4 49 B15R1.1108 COC(=O)CCC1=C(C=CC=C1)C(=O)O Z1508919677 [0,1,0,0,0,0|2,0,0]=3 50 B15R1.1108 COC(=O)CNC1=C(C=CC=C1)C(=O)N Z131772086 [0,1,0,0,0,0|1,0,0]=2 51 B15R1.1108 COC(=O)COC1=C(C=CC=C1)C(=O)C Z54567277 [0,1,0,0,0,0|1,0,0]=2 52 B15R1.1108 COC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] Z19688869 [0,1,0,0,0,0|2,0,0]=3 53 B15R1.5509 CN(CC(=O)O)C1=C(C=CC=C1)[N+](=O)[O-] Z285167306 [0,1,0,0,0,0|3,0,0]=4 54 B15R1.5915 CC(C)(C)C1=C(C=CC=C1)OCC(=O)O Z89284930 [0,1,0,0,0,0|2,0,1]=4 55 B15R1.5915 O=C(O)COC1=C(C=CC=C1)C(F)(F)F Z239874900 [0,1,0,0,0,0|2,0,1]=4 56 B15R1.6620 NC(=O)CNC1=C(C=CC=C1Cl)C(=O)O Z2799202188 [0,1,0,0,0,0|3,0,0]=4 57 B15R1.8265 C=C(Br)COC1=C(C(=CC=C1)F)C(=O)N Z1675324967 [0,1,0,0,0,0|2,0,0]=3 58 B15R1.8265 C[C@@H](O)CNC1=C(C(=CC=C1)F)C(=O)N Z2755766858 [0,1,0,0,0,0|2,0,1]=4 59 B15R1.8415 C=C(Br)COC1=C(C=C(C=C1)Cl)C(=O)N Z785009502 [0,1,0,0,0,0|2,0,0]=3 60 B15R1.8415 C=C(Cl)COC1=C(C=C(C=C1)Cl)C(=O)N Z165882446 [0,1,0,0,0,0|2,0,0]=3 61 B15R1.8415 CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O Z359570156 [0,1,0,0,0,0|1,0,0]=2 62 B15R1.8415 CC(=O)C1=C(C=CC(=C1)C)OCC(=O)O Z57216308 [0,1,0,0,0,0|1,0,0]=2 63 B15R1.8415 CC(=O)COC1=C(C=C(C=C1)Cl)C(=O)O Z118459320 [0,1,0,0,0,0|2,0,0]=3 64 B15R1.8415 NC(=O)C1=C(C=CC(=C1)Cl)NCC(=O)O Z991548252 [0,1,0,0,0,0|1,0,0]=2 65 B15R1.8415 NC(=O)COC1=C(C=C(C=C1)Br)C(=O)O Z64749079 [0,1,0,0,0,0|2,0,0]=3 66 B15R1.8415 NC(=O)COC1=C(C=C(C=C1)Cl)C(=O)N Z26324295 [0,1,0,0,0,0|1,0,0]=2 67 B15R1.8415 O=C(O)CSC1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z31205650 [0,1,0,0,0,0|2,1,0]=4 68 B15R1.8435 C=C(C)COC1=C(C=CC(=C1)Cl)C(=O)N Z913572564 [0,1,0,0,0,0|2,0,0]=3 69 B15R1.8435 C=C(Cl)COC1=C(C=CC(=C1)Cl)C(=O)N Z913572130 [0,1,0,0,0,0|2,0,0]=3 70 B15R1.8435 CC(=O)C1=C(C=C(C=C1)Br)OCC(=O)O Z57392106 [0,1,0,0,0,0|1,0,0]=2 71 B15R1.8435 CC(=O)C1=C(C=C(C=C1)Cl)OCC(=O)O Z57391912 [0,1,0,0,0,0|1,0,0]=2 72 B15R1.8435 CC1=CC(=C(C=C1)C(C)C)OCC(=O)O Z56820873 [0,1,0,0,0,0|2,0,1]=4 73 B15R1.8875 N[C@@H](CC1=C(C=CC=C1)[N+](=O)[O-])C(=O)O Z1404540659 [0,1,0,0,0,0|3,0,0]=4 74 B15R2.384 O=C1COC2=C(C=CC=C2N1)C(=O)O Z1094758722 [0,0,0,1,0,0|2,0,0]=3 75 B15R2.14951 CC(=O)C1CC2=C(C=CC=C2)C(=O)O1 Z203244234 [0,0,0,1,0,0|3,0,0]=4 76 B15R2.14951 NC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z296759180 [0,0,0,1,0,0|2,0,1]=4 77 B15R2.14951 NC1=C2C=CC=CC2=NC(=C1)C(=O)O Z1134164167 [0,0,0,1,0,0|2,0,1]=4 78 B15R2.14951 O=C(O)C1=CC(=O)C2=C(N1)C=CC=C2 Z94602408 [0,0,0,1,0,0|2,0,1]=4 79 B15R2.14951 O=C(O)C1=CC(=O)C2=C(O1)C=CC=C2 Z56922101 [0,0,0,1,0,0|1,0,1]=3 80 B15R2.14951 O=C(O)C1=CC(=O)C2=C(O1)C=NC=C2 Z2418137458 [0,0,0,1,0,0|2,0,1]=4 81 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 Z57035552 [0,0,0,1,0,0|1,0,1]=3 82 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 Z1198163323 [0,0,0,1,0,0|2,0,1]=4 83 B15R2.14951 O=C(O)[C@H]1C[C@H](C2=C(O1)C=CC=C2)O Z2235810223 [0,0,0,1,0,0|1,0,2]=4 84 B15R2.14951 O=C1CC(CC2=C1C=CC=C2)C(=O)O Z1198159601 [0,0,0,1,0,0|2,0,0]=3 85 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O Z56347259 [0,0,0,1,0,0|2,0,0]=3 86 B15R2.53147 CC1=CN(C2=C1C=CC=C2)CC(=O)O Z415654038 [0,0,0,1,0,0|3,0,0]=4 87 B15R2.53147 O=C(O)CC1CC(=O)C2=C1C=CC=C2 Z1255486798 [0,0,0,1,0,0|2,0,0]=3 88 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 Z1198153244 [0,0,0,1,0,0|1,0,0]=2 89 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,0,0,1,0,0|2,0,0]=3 90 B13R1.589 CC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z329711592 [0,0,0,0,1,0|3,0,0]=4 91 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C Z28255481 [0,0,0,0,1,0|2,0,0]=3 92 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [0,0,0,0,1,0|2,0,0]=3 93 B13R1.589 CC(C)C1=C(C=CC=C1)CC(=O)O Z1198264507 [0,0,0,0,1,0|2,0,1]=4 94 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O Z1262518784 [0,0,0,0,1,0|2,0,0]=3 95 B13R1.589 NC(=O)C1=C(C=CC=C1)OC(F)F Z68591371 [0,0,0,0,1,0|2,0,1]=4 96 B13R1.589 NC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z33546960 [0,0,0,0,1,0|3,0,0]=4 97 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O Z239135034 [0,0,0,0,1,0|3,0,0]=4 98 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O Z104474214 [0,0,0,0,1,0|1,0,0]=2 99 B13R1.589 O=C(O)CC1=C(C=CC=C1)[N+](=O)[O-] Z57270339 [0,0,0,0,1,0|2,0,0]=3 100 B13R1.3576 CC(=O)COC1=C(SC=C1)C(=O)C Z1722314601 [0,0,0,0,1,0|3,0,0]=4 101 B15R1.5914 C=C(Br)COC1=C(C=CC=C1)NC(=O)C Z1116484434 [0,0,0,0,0,1|3,0,0]=4 102 B15R1.5914 CC(=O)NC1=C(C=CC=C1)OCC(=O)N Z19817189 [0,0,0,0,0,1|2,0,0]=3 103 B15R1.5914 CC(=O)NC1=C(C=CC=C1)OCC(=O)O Z278017932 [0,0,0,0,0,1|1,0,0]=2 104 B15R1.5914 CC(=O)NC1=C(C=CC=C1)SCC(=O)N Z91114624 [0,0,0,0,0,1|2,1,0]=4 105 B15R1.8882 CC(=CCSC1=C(C=CC=C1)C(=O)N)C Z1256055471 [0,0,0,0,0,1|2,1,0]=4 106 B15R1.8882 CC(C)C1=C(C=CC=C1)OCCC(=O)O Z240085214 [0,0,0,0,0,1|2,0,1]=4 107 B15R1.8882 CN(C)CCOC1=C(C=CC=C1)C(=O)N Z149199556 [0,0,0,0,0,1|3,0,0]=4 108 B15R1.8882 NC(=O)C1=C(C=CC=C1)OCCC(=O)O Z285229582 [0,0,0,0,0,1|0,0,0]=1 109 B15R1.8882 NC(=O)C1=C(N=CC=C1)SCCC(=O)O Z295404364 [0,0,0,0,0,1|1,1,0]=3 110 B15R1.8882 O=C(O)CCNC1=C(C=CC=C1)[N+](=O)[O-] Z64665540 [0,0,0,0,0,1|3,0,0]=4 111 B15R1.8882 O=C(O)CCOC1=C(C=CC=C1)[N+](=O)[O-] Z224635790 [0,0,0,0,0,1|2,0,0]=3 112 B12R1.121 C#CCOC1=C(C=CC=C1)C=O Z54475580 [2,0,0,0,0,0|1,0,1]=4 113 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [2,0,0,0,0,0|2,0,0]=4 114 B12R1.121 C=CCOC1=C(C=CC=C1)C=O Z54337089 [2,0,0,0,0,0|1,0,0]=3 115 B12R1.121 C=CCOC1=C(C=CC=C1)CN Z446020710 [2,0,0,0,0,0|1,0,1]=4 116 B12R1.121 N#CCOC1=C(C=CC=C1)C=O Z53790919 [2,0,0,0,0,0|1,0,1]=4 117 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [2,0,0,0,0,0|0,0,2]=4 118 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [2,0,0,0,0,0|1,0,1]=4 119 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [2,0,0,0,0,0|1,0,1]=4 120 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [2,0,0,0,0,0|0,0,1]=3 121 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [2,0,0,0,0,0|0,1,1]=4 122 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [2,0,0,0,0,0|2,0,0]=4 123 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [2,0,0,0,0,0|2,0,0]=4 124 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [2,0,0,0,0,0|2,0,0]=4 125 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [2,0,0,0,0,0|2,0,0]=4 126 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [2,0,0,0,0,0|2,0,0]=4 127 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [2,0,0,0,0,0|1,1,0]=4 128 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [2,0,0,0,0,0|2,0,0]=4 129 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [2,0,0,0,0,0|2,0,0]=4 131 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [2,0,0,0,0,0|1,0,1]=4 132 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [2,0,0,0,0,0|2,0,0]=4 134 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [2,0,0,0,0,0|1,0,0]=3 135 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [2,0,0,0,0,0|1,0,0]=3 136 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [2,0,0,0,0,0|1,0,0]=3 137 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [2,0,0,0,0,0|0,0,1]=3 138 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [2,0,0,0,0,0|1,1,0]=4 139 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [2,0,0,0,0,0|1,1,0]=4 140 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [2,0,0,0,0,0|1,1,0]=4 141 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [2,0,0,0,0,0|0,1,1]=4 142 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [2,0,0,0,0,0|1,0,1]=4 143 B12R1.283 CCOC1=C(C=CC=C1)C(=O)N Z54953371 [2,0,0,0,0,0|0,0,1]=3 144 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [2,0,0,0,0,0|1,0,1]=4 145 B12R1.283 CCOC1=C(C=CC=C1)C(=S)N Z295385328 [2,0,0,0,0,0|0,1,1]=4 146 B12R1.283 CCOC1=C(C=CC=N1)C(=O)N Z272156568 [2,0,0,0,0,0|1,0,1]=4 147 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [2,0,0,0,0,0|2,0,0]=4 148 B14R1.118 N#CC1=C(C=CC=C1Br)OCC(=O)O Z1763162023 [1,1,0,0,0,0|0,0,2]=4 149 B14R1.482 C=CCC1=C(C=CC=C1)OCC(=O)O Z147642680 [1,1,0,0,0,0|1,0,0]=3 150 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O Z56824183 [1,1,0,0,0,0|1,0,1]=4 151 B14R1.863 CNC(=O)COC1=C(C=CC=C1)C=O Z19658855 [1,1,0,0,0,0|1,0,0]=3 152 B14R1.863 COC(=O)CCC1=C(C=CC=C1)CN Z3282074805 [1,1,0,0,0,0|1,0,1]=4 153 B14R1.863 COC(=O)COC1=C(C=CC=C1)C=O Z18440454 [1,1,0,0,0,0|0,0,0]=2 154 B14R1.863 COC(=O)COC1=C(C=CC=C1)CN Z1263529645 [1,1,0,0,0,0|0,0,1]=3 155 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O Z56917414 [1,1,0,0,0,0|2,0,0]=4 156 B14R1.1600 NC(=O)COC1=C(C=C(C=C1)Br)C=O Z19747260 [1,1,0,0,0,0|1,0,0]=3 157 B14R1.1600 NC(=O)COC1=C(C=C(C=C1)Cl)C=O Z57030965 [1,1,0,0,0,0|1,0,0]=3 158 B14R1.1600 O=CC1=C(C=CC(=C1)Br)OCC(=O)O Z57313879 [1,1,0,0,0,0|0,0,0]=2 159 B14R1.1600 O=CC1=C(C=CC(=C1)Cl)OCC(=O)O Z57773254 [1,1,0,0,0,0|0,0,0]=2 160 B14R1.3135 CC(OC1=C(C=CC=C1)C#N)C(=O)O Z65592685 [1,1,0,0,0,0|0,0,2]=4 161 B14R1.3135 CCC1=C(C=CC=C1)OC(C)C(=O)O Z398366626 [1,1,0,0,0,0|1,0,1]=4 162 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O Z57825370 [1,1,0,0,0,0|2,0,0]=4 163 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O Z3210773710 [1,1,0,0,0,0|1,0,1]=4 164 B14R1.67 C=CCOC1=C(C=C(C=C1)Cl)C(=O)N Z215220834 [1,1,0,0,0,0|1,0,0]=3 165 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427986 [1,1,0,0,0,0|1,0,1]=4 166 B14R1.760 C=CCOC1=C(C=CC(=C1)Cl)C(=O)O Z118463640 [1,1,0,0,0,0|2,0,0]=4 167 B14R1.760 CC(=O)C1=C(C=C(C=C1)Br)OCCO Z1455192850 [1,1,0,0,0,0|1,0,1]=4 168 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)CN Z2732641872 [1,1,0,0,0,0|1,0,1]=4 169 B14R1.903 COCCOC1=C(C=CC=C1)C(=N)N Z1982493944 [1,1,0,0,0,0|1,0,1]=4 170 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O Z227717390 [1,1,0,0,0,0|1,0,1]=4 171 B14R1.4432 C=CCNC1=CC=CC(=C1C(=O)N)C Z1343373579 [1,1,0,0,0,0|2,0,0]=4 172 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O Z1251413637 [0,1,0,0,1,0|2,0,0]=4 173 B14R1.164 O=C(O)CC1=C(C=CC(=C1)Br)C(=O)O Z1258932136 [0,1,0,0,1,0|1,0,0]=3 174 B14R1.744 CNC(=O)C1=C(C=CC=C1)NC(=O)C Z99498865 [0,1,0,0,1,0|2,0,0]=4 175 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O Z1262511329 [0,1,0,0,1,0|1,0,0]=3 176 B14R1.4894 O=C(O)CC1=C(C=CC=C1Cl)C(=O)O Z1269110325 [0,1,0,0,1,0|1,0,0]=3 177 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)C)C(=O)O Z415652776 [0,1,0,0,1,0|2,0,0]=4 178 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O Z991517134 [0,1,0,0,1,0|2,0,0]=4 179 B14R1.6312 NC(=O)C1=C(C=CC=C1)CS(=O)(=O)N Z1509400636 [0,1,0,0,1,0|1,0,1]=4 180 B16R1.11451 CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC(=O)O Z225887932 [0,1,0,0,0,1|2,0,0]=4 181 B16R1.11454 O=C(O)CCOC1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z295382126 [0,1,0,0,0,1|2,0,0]=4 182 B16R1.959 CONC(=O)C1=C(C=CC=C1)OCC(=O)N Z193294722 [0,2,0,0,0,0|1,0,0]=3 183 B16R1.1332 CNC(=O)CNC1=C(C=CC=C1)C(=O)NC Z106792250 [0,2,0,0,0,0|2,0,0]=4 184 B16R1.16763 CCC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)O Z2446036440 [0,2,0,0,0,0|1,0,0]=3 185 B16R1.75817 COC(=O)C1=C(C=C(C=C1)Cl)OCC(=O)N Z295139542 [0,2,0,0,0,0|2,0,0]=4 186 B16R1.1138 CNC(=O)COC1=C(C=C(C=C1)Cl)C(=O)N Z97749610 [0,2,0,0,0,0|1,0,0]=3 187 B16R1.1138 COC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)N Z839814208 [0,2,0,0,0,0|1,0,0]=3 188 B16R1.1138 COC(=O)COC1=C(C=C(C=C1)C)[N+](=O)[O-] Z74226932 [0,2,0,0,0,0|2,0,0]=4 189 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)Cl)C(=O)C Z57457927 [0,2,0,0,0,0|1,0,0]=3 190 B16R1.1302 COC(=O)COC1=C(C=CC(=C1)Cl)C(=O)N Z913573012 [0,2,0,0,0,0|0,0,0]=2 191 B16R1.4440 CCNC(=O)COC1=C(C=CC=C1)C(=O)N Z15685610 [0,2,0,0,0,0|1,0,0]=3 192 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)C(=O)C Z54589175 [0,2,0,0,0,0|1,0,0]=3 193 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)C(=O)O Z227714376 [0,2,0,0,0,0|1,0,0]=3 194 B16R1.23825 CC(=O)C1=C(C(=CC(=C1)Br)F)OCC(=O)N Z1651306315 [0,2,0,0,0,0|2,0,0]=4 195 B16R1.11342 CC(=O)C1=C(C=C(C(=C1)Cl)Cl)OCC(=O)N Z1878415500 [0,2,0,0,0,0|2,0,0]=4 196 B16R1.11453 CC(=O)C1=C(C=CC(=C1)Cl)OC(C)C(=O)O Z927608752 [0,2,0,0,0,0|1,0,0]=3 197 B16R1.11453 CC(OC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)O Z295382124 [0,2,0,0,0,0|2,0,0]=4 198 B16R1.20139 C=C(C)COC1=C(C=C(C=C1)OC)C(=O)N Z963434182 [0,2,0,0,0,0|2,0,0]=4 199 B16R1.20139 C=C(Cl)COC1=C(C=C(C=C1)OC)C(=O)N Z963433722 [0,2,0,0,0,0|2,0,0]=4 200 B16R1.20139 COC1=CC(=C(C=C1)OCC(=O)O)C(=O)O Z149289228 [0,2,0,0,0,0|1,0,0]=3 201 B16R1.20139 O=CC1=CC(=C(C=C1)OCC(=O)O)[N+](=O)[O-] Z826536070 [0,2,0,0,0,0|2,0,0]=4 202 B16R1.20203 COC1=CC(=C(C=C1)C(=O)C)OCC(=O)N Z18316126 [0,2,0,0,0,0|2,0,0]=4 203 B16R1.20203 COC1=CC(=C(C=C1)C(=O)N)OCC(=O)N Z26325057 [0,2,0,0,0,0|1,0,0]=3 204 B16R1.20203 COC1=CC(=C(C=C1)C(=O)O)OCC(=O)O Z149205792 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.814 NC(=O)CC1=C(C=CC=C1)CC(=O)O Z1262518652 [0,0,1,1,0,0|1,0,1]=4 206 B14R1.160 NC(=O)COC(=O)C1=CC=CNC1=O Z56869602 [0,0,1,1,0,0|2,0,0]=4 207 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [1,0,0,1,0,0|2,0,0]=4 208 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [1,0,0,1,0,0|1,0,1]=4 209 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 Z335800086 [1,0,0,1,0,0|1,0,0]=3 210 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N Z56347415 [1,0,0,1,0,0|1,0,1]=4 211 B14R2.450 CC(=O)C1SC2=C(C1=O)C=CC=C2 Z3223238557 [1,0,0,1,0,0|1,1,0]=4 212 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O Z56174748 [1,0,0,1,0,0|1,0,1]=4 213 B14R2.450 CC1C2=C(C=CC=C2)OC1C(=O)O Z372839354 [1,0,0,1,0,0|1,0,1]=4 214 B14R2.450 C[C@H]1C2=C(C=CC=C2)O[C@H]1C(=O)O Z4517782541 [1,0,0,1,0,0|1,0,1]=4 215 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br Z1681366744 [1,0,0,1,0,0|1,0,1]=4 216 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl Z1262529840 [1,0,0,1,0,0|1,0,1]=4 217 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 Z56822177 [1,0,0,1,0,0|1,0,1]=4 218 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 Z1198148530 [1,0,0,1,0,0|1,0,1]=4 219 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 Z90669210 [1,0,0,1,0,0|2,0,0]=4 220 B14R2.781 O=C(O)C1COC2=C(O1)C=CC=C2 Z56839652 [1,0,0,1,0,0|2,0,0]=4 221 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 Z916847046 [1,0,0,1,0,0|2,0,0]=4 222 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 Z762926698 [1,0,0,1,0,0|1,0,1]=4 223 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 Z359370254 [1,0,0,1,0,0|1,0,1]=4 224 B14R2.1073 NCC1=C2OCC(=O)NC2=CC=C1 Z4775662065 [1,0,0,1,0,0|1,0,1]=4 225 B14R2.4 O=C(O)C1=C2CCC(=O)C2=CC=C1 Z3227038450 [1,0,0,1,0,0|2,0,0]=4 226 B14R2.510 O=C1NC(C2=C1C=CC=C2)CCO Z1509190484 [1,0,0,1,0,0|1,0,1]=4 227 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 Z57234677 [0,0,0,1,1,0|2,0,0]=4 228 B14R2.712 O=C1CC2=C(C=CC=C2N1)C(=O)O Z1198272458 [0,0,0,1,1,0|2,0,0]=4 229 B14R2.712 O=C1CC2=CC=CC(=C2O1)C(=O)O Z1262521063 [0,0,0,1,1,0|2,0,0]=4 230 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O Z1198315026 [0,0,0,1,1,0|2,0,0]=4 231 B14R2.712 O=C1NC2=CC=CC(=C2O1)C(=O)O Z1262521113 [0,0,0,1,1,0|2,0,0]=4 232 B14R2.25733 N[C@@H]1C[C@@H](C2=C1C=CC=C2)C(=O)O Z2306885407 [0,0,0,1,1,0|1,0,1]=4 233 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O Z1079167836 [0,0,0,1,1,0|1,0,0]=3 234 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,0,0,1,1,0|0,0,0]=2 235 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [0,0,0,1,1,0|1,0,0]=3 236 B16R2.3995 O=C(O)CC1CC(=O)NC2=C1C=CC=C2 Z1508926223 [0,0,0,1,0,1|2,0,0]=4 237 B16R2.3995 O=C(O)CN1CC(=O)OC2=C1C=CC=C2 Z235344351 [0,0,0,1,0,1|2,0,0]=4 238 B16R2.24933 NC(=O)CC1=CC2=C(C=CC=C2)C(=O)N1 Z3476794993 [0,0,0,1,0,1|2,0,0]=4 239 B16R2.24933 O=C(O)CC1=CC2=C(C=CC=C2)C(=O)N1 Z1509046220 [0,0,0,1,0,1|1,0,0]=3 240 B16R2.24933 O=C(O)CC1CC(=O)C2=C(C1)C=CC=C2 Z1508935695 [0,0,0,1,0,1|2,0,0]=4 241 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 Z56871698 [0,1,0,1,0,0|1,0,0]=3 242 B16R2.24414 O=C(O)CN1C=CC(=O)C2=C1C=CC=C2 Z815304122 [0,1,0,1,0,0|2,0,0]=4 243 B16R2.24414 O=C(O)CN1N=CC(=O)C2=C1C=CC=C2 Z106938874 [0,1,0,1,0,0|1,0,1]=4 244 B16R2.44951 CN1C(=O)C2=C(C1CC(=O)O)C=CC=C2 Z1508967616 [0,1,0,1,0,0|1,0,0]=3 245 B16R2.75436 O=CC1=CN(C2=C1C=CC=C2)CC(=O)O Z57625145 [0,1,0,1,0,0|2,0,0]=4 246 B16R2.33887 COC(=O)C1=CC(=O)C2=C(O1)C=CC=C2 Z18483210 [0,1,0,1,0,0|1,0,1]=4 247 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z66803344 [0,1,0,1,0,0|1,0,1]=4 248 B16R2.23331 CC1=C(NC(=O)C2=C1C=CC=C2)C(=O)O Z1508928982 [0,1,0,1,0,0|1,0,1]=4 249 B16R2.145452 O=C(O)C1CS(=O)(=O)C2=C(O1)C=CC=C2 Z969109210 [0,1,0,1,0,0|2,0,0]=4 250 B16R2.145452 O=C(O)C1NC2=C(C=CC=C2)S(=O)(=O)N1 Z991506620 [0,1,0,1,0,0|2,0,0]=4 251 B16R2.22890 O=C(O)C1=CC2=C(C=CC=C2Br)C(=O)N1 Z1737947953 [0,1,0,1,0,0|1,0,1]=4 252 B16R2.126928 O=C(O)C1=CC(=O)C2=C(O1)C=CC=C2O Z1508923054 [0,1,0,1,0,0|1,0,1]=4 253 B16R2.23501 CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O Z57066685 [0,1,0,1,0,0|1,0,1]=4 254 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)Br Z1509638526 [0,1,0,1,0,0|1,0,1]=4 255 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl Z90122360 [0,1,0,1,0,0|1,0,1]=4 256 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)F Z90665583 [0,1,0,1,0,0|1,0,1]=4 257 B16R2.23501 O=C(O)C1=CC(=O)C2=C(O1)C=CC(=C2)O Z1508924489 [0,1,0,1,0,0|1,0,1]=4 258 B16R2.23501 O=C(O)C1=CC2=C(C=C(C=C2)Br)C(=O)N1 Z1737948004 [0,1,0,1,0,0|1,0,1]=4 259 B16R2.23501 O=C(O)C1=CC2=C(C=C(C=C2)Cl)C(=O)N1 Z1737947985 [0,1,0,1,0,0|1,0,1]=4 260 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)Cl)C(=O)O Z1509523066 [0,1,0,1,0,0|1,0,0]=3 261 B16R2.23501 O=C1CC(OC2=C1C=C(C=C2)F)C(=O)O Z1508922784 [0,1,0,1,0,0|1,0,0]=3 262 B16R2.23501 O=C1OC(CC2=C1C=C(C=C2)Br)C(=O)O Z1737943582 [0,1,0,1,0,0|2,0,0]=4 263 B16R2.23501 O=C1OC(CC2=C1C=C(C=C2)F)C(=O)O Z1737943513 [0,1,0,1,0,0|2,0,0]=4 264 B16R2.133406 CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O Z1203159742 [0,1,0,1,0,0|1,0,1]=4 265 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)Cl Z1509700849 [0,1,0,1,0,0|1,0,1]=4 266 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)F Z1340419291 [0,1,0,1,0,0|1,0,1]=4 267 B16R2.133406 O=C(O)C1=CC(=O)C2=C(O1)C=C(C=C2)O Z1508919522 [0,1,0,1,0,0|1,0,1]=4 268 B16R2.223 CC1OC2=C(C=CC=C2C(=O)O)NC1=O Z1117900115 [0,1,0,1,0,0|2,0,0]=4 269 B16R2.387812 CC1(CC2=C(C=CC=C2)C(=O)O1)C(=O)O Z56347256 [0,1,0,1,0,0|2,0,0]=4 270 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O Z1143235775 [1,0,0,0,1,0|2,0,0]=4 271 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O Z1198264425 [1,0,0,0,1,0|1,0,1]=4 272 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [1,0,0,0,1,0|2,0,0]=4 273 B12R1.75 CSC1=C(C=CC=C1)CC(=O)O Z1255403889 [1,0,0,0,1,0|2,0,0]=4 274 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O Z1198163910 [1,0,0,0,1,0|0,0,1]=3 275 B12R1.81 O=CC1=CC=CN1CCC(=O)O Z1198167178 [1,0,0,0,1,0|2,0,0]=4 276 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [0,0,0,0,2,0|1,0,0]=3 277 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,0,0,2,0|1,0,0]=3 278 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [0,0,0,0,2,0|1,0,0]=3 279 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [0,0,0,0,2,0|1,0,0]=3 280 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O Z104493654 [0,0,0,0,2,0|2,0,0]=4 281 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [0,0,0,0,2,0|1,0,0]=3 282 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [0,0,0,0,2,0|2,0,0]=4 283 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O Z1123696308 [0,0,0,0,2,0|2,0,0]=4 284 B12R1.261 O=C(O)C1=C(N=CC=C1)C(=O)O Z57160166 [0,0,0,0,2,0|2,0,0]=4 285 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O Z316122156 [0,0,0,0,2,0|2,0,0]=4 286 B12R1.392 O=C(O)CC1=CSC=C1C(=O)O Z1262560659 [0,0,0,0,2,0|2,0,0]=4 287 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O Z398366562 [1,0,0,0,0,1|1,0,1]=4 288 B14R1.96 COC1=C(C=CC=C1)OCCC(=O)O Z56843581 [1,0,0,0,0,1|2,0,0]=4 289 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O Z954894366 [1,0,0,0,0,1|0,0,0]=2 290 B14R1.6355 CC(=O)C1=CC(=CC=C1)OCC(=O)N Z25072546 [0,0,0,0,1,1|2,0,0]=4 291 B14R1.6355 CC(=O)C1=CC(=CC=C1)OCC(=O)O Z56921445 [0,0,0,0,1,1|1,0,0]=3 292 B14R1.6355 NC(=O)C1=CC(=CC=C1)OCC(=O)O Z295406198 [0,0,0,0,1,1|0,0,0]=2 293 B14R1.6355 NC(=O)C1=CC(=NC=C1)NCC(=O)O Z316100472 [0,0,0,0,1,1|2,0,0]=4 294 B14R1.6355 NC(=O)COC1=CC(=CC=C1)C(=O)O Z57327766 [0,0,0,0,1,1|2,0,0]=4 295 B14R1.6355 O=C(O)COC1=CC(=CC=C1)C(=O)O Z149152166 [0,0,0,0,1,1|1,0,0]=3 296 B14R1.6355 O=C(O)COC1=CC(=CC=C1)[N+](=O)[O-] Z149328506 [0,0,0,0,1,1|2,0,0]=4 297 B16R1.7619 CC(=O)NCC1=C(C=CC=C1)CCC(=O)O Z3390743759 [0,0,0,0,0,2|2,0,0]=4 298 B16R1.7619 NC(=O)COC1=C(C=CC=C1)OCC(=O)N Z56788109 [0,0,0,0,0,2|1,0,0]=3 299 B16R1.12322 CC(=O)CCCOC1=C(C=CC=C1)C(=O)N Z447806942 [0,0,0,0,0,2|1,0,0]=3