0 B14R1.3723 COC1=CC(=C(C=C1)C=O)OC(C)C Z801465268 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(=O)O Z104495790 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.97 COC1=CC(=C(C=C1)O)CC(C)N Z4167757598 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.355 CCOC1=C(C=CC(=C1)C=O)OC Z53837672 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.355 CNCC1=C(C=CC(=C1)OC)OC Z1263820454 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.355 COC1=CC(=C(C=C1)OC)/C=N/O Z49568346 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.3089 COC1=C(C=C(C=C1)C)CC(=O)N Z101186034 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.3089 COC1=C(C=C(C=C1)C)CC(=O)O Z94601335 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.3089 COC1=C(C=C(C=C1)C)NC(=S)N Z56915916 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.3089 COC1=C(C=C(C=C1)Cl)CC(=O)N Z116821720 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.3089 COC1=C(C=C(C=C1)Cl)CN(C)C Z103727016 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.3089 COC1=C(C=C(C=C1)F)CC(=O)N Z1251361184 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.3089 COC1=C(C=C(C=C1)N)OC(C)C Z1675167202 [1,0,0,0,0,0|3,0,0]=4 13 B15R1.1788 COC1=CC(=C(C=C1CC(=O)O)OC)Br Z1509582713 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.1788 COC1=CC(=C(C=C1NC(=O)C)OC)Cl Z26968795 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.1873 COC1=CC(=C(C=C1)OC)C(=O)N(C)C Z52080890 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.1873 COC1=CC(=C(C=C1)OC)C(O)C(C)N Z2753379879 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.1910 C/N=C(\N)/NC1=C(C=CC(=C1)OC)OC Z1127486829 [0,1,0,0,0,0|1,0,1]=3 18 B15R1.1910 CCC(=O)NC1=C(C=CC(=C1)OC)OC Z30943448 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.1910 CNC(=S)NC1=C(C=CC(=C1)OC)OC Z45830184 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.1910 COC1=CC(=C(C=C1)OC)NC(=O)CCl Z87002084 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.4512 COC1=C(C=C(C=C1)C(=O)C)CN(C)C Z54847090 [0,1,0,0,0,0|3,0,0]=4 22 B15R1.4512 COC1=C(C=C(C=C1)C(=O)C)OC(C)C Z1618120390 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.2880 COC1=CC2=C(C=C1)CCNC(=O)C2 Z432087550 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.4775 COC1=CC2=C(C=C1)CNC(C2)(C)C Z4905378235 [0,0,0,1,0,0|3,0,0]=4 25 B15R2.22166 COC1=C2N=C(SC2=C(C=C1)OC)N Z1954800825 [0,0,0,1,0,0|2,0,1]=4 26 B15R2.89396 COC1=CC2=C(C=C1)C(CC(C2)C)N Z2941211917 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.89396 COC1=CC2=C(C=C1)C(NC(C2)C)C Z1636723923 [0,0,0,1,0,0|1,0,0]=2 28 B13R1.2430 COC1=C(C=C(C=C1)C=O)C(C)C Z1198168466 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.2430 COC1=C(C=C(C=C1)CN)C(C)C Z4768873205 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.2430 COC1=C(C=C(C=C1)CO)C(C)C Z1255452413 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.2430 COC1=CC(=C(C=C1)OC)B(O)O Z336080040 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.2430 COC1=CC(=C(C=C1)OC)C(=O)C Z104479138 [0,0,0,0,1,0|1,0,1]=3 33 B13R1.2430 COC1=CC(=C(C=C1)OC)C(=O)O Z57050098 [0,0,0,0,1,0|2,0,1]=4 34 B13R1.2430 COC1=CC(=C(C=C1)OC)C(C)N Z90666848 [0,0,0,0,1,0|0,0,0]=1 35 B15R1.1882 COC1=C(C=C(C=C1)C=O)OCC(C)C Z53837673 [0,0,0,0,0,1|3,0,0]=4 36 B15R1.1882 COC1=CC(=C(C=C1)OC)CCC(=O)O Z278160294 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.127 CC1=CC(=C(C=C1)C)NC(C)C Z267155660 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.270 C=CCC1=C(C=CC(=C1)OC)O Z57046211 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.270 CNCC1=C(C=CC(=C1)OC)F Z5345759032 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.78 CCC1=C(C=CC(=C1)C=O)OC Z1201623458 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.78 CCC1=C(C=CC(=C1)OC)C=O Z1222423530 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.78 CCC1=C(C=CC(=C1)OC)CN Z4182788171 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.78 CNC1=C(C=C(C=C1)OC)OC Z335256774 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.78 CNC1=C(C=CC(=C1)OC)OC Z335266076 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.78 CNC1=CC(=C(C=C1)OC)OC Z1259341013 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.78 COC1=CC(=C(C=C1)OC)C#N Z56995180 [2,0,0,0,0,0|0,0,2]=4 49 B12R1.78 COC1=CC(=C(C=C1)OC)CBr Z96091884 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.78 COC1=CC(=C(C=C1)OC)CN Z285139178 [2,0,0,0,0,0|0,0,0]=2 51 B12R1.78 COC1=CC(=C(C=C1)OC)CO Z104509944 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.78 COC1=NC(=C(C=C1)OC)CN Z5467393345 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.268 CCNC1=C(C=CC(=C1)C)OC Z3892824844 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.268 CCOC1=C(C=CC(=C1)N)OC Z239873266 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.268 CNCC1=C(C=CC(=C1)Br)OC Z56957556 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.268 CNCC1=C(C=CC(=C1)C)OC Z94598686 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.268 CNCC1=C(C=CC(=C1)Cl)OC Z104346732 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.268 COC1=C(C=C(C=C1)Br)CCN Z1682072470 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.268 COC1=C(C=C(C=C1)C)CC#N Z94597857 [2,0,0,0,0,0|0,0,2]=4 60 B12R1.268 COC1=C(C=C(C=C1)C)CCN Z96092050 [2,0,0,0,0,0|0,0,0]=2 61 B12R1.268 COC1=C(C=C(C=C1)Cl)CCN Z1267773768 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.268 COC1=C(C=C(C=C1)F)CCN Z2805877171 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.268 CSC1=C(C=C(C=C1)Br)CCN Z2857139707 [2,0,0,0,0,0|1,1,0]=4 64 B12R1.75 COC1=C(C=CC=C1)CC(=O)N Z33545381 [2,0,0,0,0,0|1,0,1]=4 65 B12R1.75 COC1=C(C=CC=C1)CC(C)O Z445987128 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.75 COC1=C(C=CC=C1)NC(C)C Z267171966 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [2,0,0,0,0,0|0,1,0]=3 68 B14R1.441 COCC1=C(C=CC(=C1)C(=O)C)OC Z57981493 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.759 CCCOC1=C(C=CC(=C1)C=O)OC Z54848110 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.759 CCOCC1=C(C=CC(=C1)C=O)OC Z906128764 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.2315 COC1=CC(=C(C=C1)OC)C(=O)CCl Z56346966 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.2315 COC1=CC(=C(C=C1)OC)C(O)CN Z330910894 [1,1,0,0,0,0|0,0,0]=2 73 B14R1.2315 COC1=CC(=C(C=C1)OC)C(O)CO Z1139750982 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.6787 CCOC1=C(C=CC(=C1)CNC)OC Z3277762287 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.15069 CNCC1=C(C=C(C(=C1)OC)C)OC Z5102256186 [1,1,0,0,0,0|1,0,0]=3 76 B14R1.3279 CNC(=O)CC1=C(C=CC(=C1)C)OC Z183857068 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.31 COC1=C(C=C(C=C1)[N+](=O)[O-])C(C)N Z335242892 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)Br Z1269120149 [0,1,0,0,1,0|1,0,1]=4 79 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)O Z1413438403 [0,1,0,0,1,0|1,0,1]=4 80 B14R1.3720 COC1=CC(=C(C=C1)OC)S(=O)(=O)N Z45415657 [0,1,0,0,1,0|2,0,0]=4 81 B16R1.5658 COC1=CC(=C(C=C1)OC)NC(=O)C(C)C Z30943416 [0,1,0,0,0,1|1,0,1]=4 82 B16R1.5658 COC1=CC(=C(C=C1)OC)NC(=O)C(C)Cl Z56346843 [0,1,0,0,0,1|1,0,1]=4 83 B16R1.20156 CCC(=O)NCC1=C(C=CC(=C1)OC)OC Z288305386 [0,1,0,0,0,1|1,0,1]=4 84 B16R1.88190 COC1=CC(=C(C=C1)OC)CNC(C)(C)C Z259730970 [0,1,0,0,0,1|1,0,0]=3 85 B16R1.20087 COC(=O)CC1=C(C=C(C(=C1)OC)Br)OC Z2755967217 [0,2,0,0,0,0|1,0,1]=4 86 B16R1.20087 COC(=O)CC1=C(C=C(C(=C1)OC)N)OC Z2180775304 [0,2,0,0,0,0|1,0,1]=4 87 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.1747 COC1=C2CCCC2=C(C=C1)OC Z1255448313 [1,0,0,1,0,0|0,0,0]=2 89 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)N Z285186056 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.1801 COC1=CC2=C(C=C1)C(CCC2)O Z228586232 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.1801 COC1=CC2=C(C=C1)C(NCC2)C Z3018393762 [1,0,0,1,0,0|1,0,0]=3 92 B14R2.1801 COC1=CC2=C(C=C1)N(CCC2)C Z197223766 [1,0,0,1,0,0|1,0,0]=3 93 B14R2.2400 COC1=CC2=C(C=C1)CCCCN2 Z1255490319 [1,0,0,1,0,0|2,0,0]=4 94 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 Z425387736 [1,0,0,1,0,0|1,0,0]=3 95 B14R2.2400 COC1=CC2=C(C=C1)CNCCC2 Z1263602462 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.2400 COC1=CC2=C(C=C1)NCCCC2 Z1255490316 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.3519 COC1=C(C=C(C=C1)C=O)C2CC2 Z2739854319 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.3519 COC1=CC(=C(C=C1)OC)C2CO2 Z278165250 [1,0,0,1,0,0|1,0,0]=3 99 B14R2.29365 CC1CC2=C(C=CC(=C2)F)C(N1)C Z1695906756 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.29365 CC1CC2=C(C=CC(=C2)O)C(N1)C Z3670378254 [1,0,0,1,0,0|1,0,0]=3 101 B14R2.142 COC1=CC2=C(C=C1)CCCC2N Z1331054615 [0,0,0,1,1,0|1,0,0]=3 102 B14R2.142 COC1=CC2=C(C=C1)CCC[C@@H]2N Z1492796833 [0,0,0,1,1,0|1,0,0]=3 103 B14R2.142 COC1=CC2=C(C=C1)CCC[C@H]2N Z1483972113 [0,0,0,1,1,0|1,0,0]=3 104 B14R2.142 COC1=CC2=C(C=C1)OCCC2=O Z283724550 [0,0,0,1,1,0|1,0,1]=4 105 B14R2.142 COC1=CC2=C(C=C1)OCC[C@H]2O Z1255459698 [0,0,0,1,1,0|1,0,0]=3 106 B14R2.142 CSC1=CC2=C(C=C1)OCCC2N Z3657555135 [0,0,0,1,1,0|0,1,0]=3 107 B16R2.8348 COC1=CC(=C(C=C1)OC)CNC2CC2 Z86138875 [0,0,0,1,0,1|1,0,0]=3 108 B16R2.197059 COC1=CC2=C(C=C1)C(=O)NCC(C2)C Z2942397253 [0,1,0,1,0,0|2,0,0]=4 109 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)C Z104483744 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)N Z394696298 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.453 COC1=CC(=C(C=C1)O)C(C)N Z239627178 [1,0,0,0,1,0|0,0,0]=2 112 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)C Z104508102 [1,0,0,0,1,0|1,0,1]=4 113 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)N Z101185922 [1,0,0,0,1,0|1,0,1]=4 114 B12R1.46 COC1=C(C=C(C=C1)C)C(C)N Z94601375 [1,0,0,0,1,0|0,0,0]=2 115 B12R1.46 COC1=C(C=C(C=C1)C)[C@@H](C)O Z360056216 [1,0,0,0,1,0|1,0,0]=3 116 B12R1.46 COC1=C(C=C(C=C1)C)[C@H](C)O Z360056212 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.46 COC1=C(C=C(C=C1)F)C(C)N Z332383672 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.46 COC1=C(C=C(C=C1)N)C(C)C Z3244866812 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C Z1198163904 [1,0,0,0,1,0|1,0,1]=4 120 B12R1.657 COC1=NSC(=C1C(C)N)OC Z3484293843 [0,0,0,0,2,0|2,0,0]=4 121 B14R1.1865 COC1=C(C=C(C=C1)C)NCC(=O)N Z104846690 [1,0,0,0,0,1|1,0,1]=4 122 B14R1.101 COC1=CC(=C(C=C1)CC(=O)N)OC Z62734485 [0,0,0,0,1,1|1,0,1]=4