0 B12R1.283 CCCC1=C(C=CC=C1)B(O)O Z821158624 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.283 CCNC1=C(C=CC=C1)[N+](=O)[O-] Z31223930 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.283 CCNC1=C(N=CC=C1)C(=O)O Z2768134920 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.283 CCOC1=C(C=CC=C1)B(O)O Z336079908 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.283 CCOC1=C(C=CC=C1)C(=O)N Z54953371 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.283 CCOC1=C(C=CC=C1)C(=S)N Z295385328 [0,0,0,0,0,0|0,1,0]=1 9 B12R1.283 CCOC1=C(C=CC=C1)C(C)N Z239627262 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.283 CCOC1=C(C=CC=C1)C(C)O Z228586324 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.283 CCOC1=C(C=CC=C1)[C@@H](C)N Z360055960 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.283 CCOC1=C(C=CC=C1)[C@@H](C)O Z360055958 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.283 CCOC1=C(C=CC=C1)[C@H](C)O Z360055954 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.283 CCOC1=C(C=CC=N1)B(O)O Z1201623276 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.283 CCOC1=C(C=CC=N1)C(=O)N Z272156568 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O Z104495504 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.283 CCOC1=C(N=CC=C1)C(=O)O Z808643270 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.283 CCSC1=C(C=CC=C1)C(=O)C Z332382328 [0,0,0,0,0,0|1,1,0]=2 19 B12R1.283 CCSC1=C(C=CN=C1)C(=O)O Z1262517373 [0,0,0,0,0,0|2,1,0]=3 20 B12R1.283 CCSC1=C(N=CC=C1)C(=O)O Z1262530511 [0,0,0,0,0,0|2,1,0]=3 21 B12R1.283 CCSC1=C(N=CC=N1)C(=O)O Z995152142 [0,0,0,0,0,0|3,1,0]=4 22 B12R1.283 CNCC1=C(C=CC=C1)[N+](=O)[O-] Z361993844 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.283 CSCC1=C(N=CC=C1)C(=O)O Z1080732160 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.283 N#CCC1=C(C=CC=C1)C(=O)O Z56946849 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.283 NCCC1=C(C=CC=C1)[N+](=O)[O-] Z992743510 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.283 O=[N+]([O-])C1=C(C=CC=C1)CCO Z992259002 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.41 C=CCC1=C(C=CC=C1)C=O Z1511741429 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.41 CCCC1=C(C=CC=C1)CN Z3241253417 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.41 CCNC1=C(C=CC=C1)C=O Z1203746444 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.41 CCOC1=C(C=CC=C1)C#N Z51119298 [1,0,0,0,0,0|0,0,2]=3 35 B11R1.41 CCOC1=C(C=CC=C1)C=O Z53833343 [1,0,0,0,0,0|0,0,0]=1 36 B11R1.41 CCOC1=C(C=CC=C1)CCl Z56347085 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.41 CCOC1=C(C=CC=C1)CN Z57102477 [1,0,0,0,0,0|0,0,1]=2 38 B11R1.41 CCOC1=C(C=CC=C1)NC Z1526503386 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.41 CCOC1=C(C=CC=N1)C#N Z295203538 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.41 CCOC1=C(C=CC=N1)CN Z240084032 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.41 COCC1=C(C=CC=C1)C=O Z1266890219 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.41 COCC1=C(C=CC=C1)CN Z240084736 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.41 O=CC1=C(C=CC=C1)CCCl Z420006804 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.41 [N-]=[N+]=NC1=C(C=CC=C1)C=O Z1486010594 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.53 C#CC1=C(C=CC=C1)C(=O)C Z1255430329 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N Z1201620078 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.53 CC(=O)C1=C(C=CC=C1)C=O Z1255489619 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.53 CCC1=C(C=CC=C1)B(O)O Z336080172 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.53 CCC1=C(C=CC=C1)C(=O)N Z1203580417 [1,0,0,0,0,0|0,0,0]=1 50 B11R1.53 CCC1=C(C=CC=C1)C(=O)O Z979777146 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.53 CCC1=C(C=CC=N1)C(=O)O Z5499572051 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.53 CCC1=C(C=CN=C1)C(=O)C Z1255359582 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.53 CCC1=C(C=CN=C1)C(=O)O Z1551475975 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.53 CCC1=C(C=CN=C1)C(C)N Z1480856824 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.53 CCC1=C(C=NC=N1)C(=O)O Z444878406 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.53 CCC1=C(N=CC=C1)C(=O)O Z1558209672 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.53 CCC1=C(N=CC=N1)C(=O)O Z1551935457 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.53 CNC1=C(C=CC=C1)C(=O)N Z56947598 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.53 CNC1=C(C=CC=C1)C(=O)O Z56941087 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.53 CNC1=C(C=CC=C1)[N+](=O)[O-] Z31222766 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.53 CNC1=C(C=CC=N1)C(=O)N Z359297606 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.53 CNC1=C(C=CC=N1)C(=O)O Z71177490 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.53 CNC1=C(C=CN=C1)C(=O)O Z1473282233 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.53 COC1=C(C=CC=C1)B(O)O Z381513020 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.53 COC1=C(C=CC=C1)C(=O)N Z33546468 [1,0,0,0,0,0|0,0,0]=1 66 B11R1.53 COC1=C(C=CC=C1)C(=O)O Z57127524 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.53 COC1=C(C=CC=C1)C(=S)N Z56979367 [1,0,0,0,0,0|0,1,0]=2 68 B11R1.53 COC1=C(C=CC=C1)C(C)N Z57057709 [1,0,0,0,0,0|1,0,1]=3 69 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O Z360055200 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O Z360055194 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.53 COC1=C(C=CC=C1)[N+](=O)[O-] Z31131392 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.53 COC1=C(C=CC=N1)C(=O)N Z300502574 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.53 COC1=C(C=CC=N1)C(=O)O Z71179597 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.53 COC1=C(C=CC=N1)C(=S)N Z295390708 [1,0,0,0,0,0|1,1,0]=3 75 B11R1.53 COC1=C(C=CN=C1)C(=O)O Z1198172204 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.53 COC1=C(C=CN=C1)C(C)N Z1216820428 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.53 COC1=C(C=NC=C1)C(=O)O Z1198164403 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.53 COC1=C(N=CC=C1)C(=O)O Z808643216 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.53 COC1=C(N=CC=N1)C(=N)N Z3810710763 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [1,0,0,0,0,0|1,1,0]=3 81 B11R1.53 CSC1=C(C=CC=C1)C(=O)O Z56921447 [1,0,0,0,0,0|1,1,0]=3 82 B11R1.53 CSC1=C(C=CC=C1)[C@@H](C)N Z1993522688 [1,0,0,0,0,0|1,1,1]=4 83 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [1,0,0,0,0,0|2,1,0]=4 84 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [1,0,0,0,0,0|2,1,0]=4 85 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O Z1068032864 [1,0,0,0,0,0|1,0,1]=3 86 B11R1.53 NCC1=C(C=CC=C1)[N+](=O)[O-] Z444349820 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.53 NCC1=C(N=CC=C1)C(=O)O Z5490316769 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.53 NNC1=C(C=CC=C1)C(=O)O Z56827064 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.53 O=C(O)C1=C(C=CC=C1)CO Z425446262 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.53 O=[N+]([O-])C1=C(C=CC=C1)CBr Z56347373 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.141 CCNC1=C(C=C(C=C1)C)C(=O)O Z111833880 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.141 CCNC1=C(C=C(C=C1)C)[N+](=O)[O-] Z394645266 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.141 CCNC1=C(C=C(C=C1)Cl)C(=O)O Z838078476 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)C Z54531341 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427988 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.141 CCOC1=C(C=C(C=C1)F)B(O)O Z381513660 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.141 CCSC1=C(C=C(C=C1)Cl)C(=O)O Z838079200 [0,1,0,0,0,0|1,1,0]=3 99 B13R1.356 CCNC1=C(C=CC(=C1)C)[N+](=O)[O-] Z1396552535 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.356 CCOC1=C(C=CC(=C1)Cl)C(=O)O Z149256332 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.356 CCOC1=C(C=CC(=C1)F)B(O)O Z1255435423 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.356 CCOC1=C(C=CC(=C1)N)[N+](=O)[O-] Z1147220438 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.356 CCOC1=C(C=CC(=C1)O)[N+](=O)[O-] Z1492395209 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.356 CCOC1=C(C=CC(=N1)C)C(=O)O Z995146752 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.356 CCSC1=C(C=CC(=C1)Cl)C(=O)O Z1082852824 [0,1,0,0,0,0|1,1,0]=3 106 B13R1.381 CCCC1=C(C=CC=C1)S(=O)(=O)N Z401602120 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.381 CCNC1=C(C=CC=C1)S(=O)(=O)C Z165209388 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.381 CCNC1=C(C=CC=C1)S(=O)(=O)N Z425343674 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.381 CCOC1=C(C=CC=C1)C(C)(C)O Z1020790680 [0,1,0,0,0,0|1,0,2]=4 110 B13R1.381 CCOC1=C(C=CC=N1)S(=O)(=O)F Z3333543192 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.381 CCOC1=C(C=NC=C1)S(=O)(=O)F Z2907433462 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.381 CCOC1=C(C=NC=C1)S(=O)(=O)N Z2061732387 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.381 CCOC1=C(N=CC=C1)S(=O)(=O)F Z3016192014 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.381 CNCC1=C(C=CC=C1)S(=O)(=O)N Z2211231175 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.381 COCC1=C(C=CC=C1)S(=O)(=O)N Z821093610 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.381 NCCC1=C(C=CC=C1)S(=O)(=O)N Z3292558136 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.382 CCNC1=C(C=CC=C1)C(=O)OC Z111833748 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.382 CCOC1=C(C=CC=C1)C(=O)NC Z68248409 [0,1,0,0,0,0|0,0,0]=1 119 B13R1.382 CCOC1=C(C=CC=C1)C(N)CC Z278080700 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.382 CNCC1=C(C=CC=C1)C(=O)OC Z1268152318 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.382 COC(=O)C1=C(C=CC=C1)CCN Z2901974789 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [0,1,0,0,0,0|1,1,0]=3 123 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.572 C#CCOC1=C(C=CC=C1)[N+](=O)[O-] Z51179615 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O Z57921219 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O Z149170952 [0,1,0,0,0,0|1,1,1]=4 127 B13R1.572 CC(C)C1=C(C=CC=C1)OCCN Z1266933918 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O Z111833842 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.572 CCCOC1=C(C=CC=C1)B(O)O Z381513014 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.572 CCCOC1=C(C=CC=C1)C(=S)N Z295385426 [0,1,0,0,0,0|0,1,0]=2 131 B13R1.572 CCCOC1=C(N=CC=C1)C(=O)O Z808643222 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.572 CCNCC1=C(C=CC=C1)[N+](=O)[O-] Z380844472 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.572 CNCCC1=C(C=CC=C1)C(=O)O Z1665033404 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.572 CNCCC1=C(C=CC=C1)[N+](=O)[O-] Z2044770043 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.572 N#CCSC1=C(C=CC=C1)C(=O)O Z57036328 [0,1,0,0,0,0|1,1,1]=4 136 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCO Z149199514 [0,1,0,0,0,0|0,0,0]=1 137 B13R1.572 NCCNC1=C(C=CC=C1)[N+](=O)[O-] Z57931291 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.572 NCCSC1=C(C=CC=C1)C(=O)O Z1269152864 [0,1,0,0,0,0|1,1,0]=3 139 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO Z118461564 [0,1,0,0,0,0|1,0,0]=2 141 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO Z118461552 [0,1,0,0,0,0|1,1,0]=3 142 B13R1.572 O=C(O)C1=C(N=CC=C1)OCCO Z332379854 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)NCCO Z31212148 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)OCCBr Z285922212 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.589 CC(=O)C1=C(C=CC=C1)OC(F)F Z55671925 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C Z28255481 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [0,1,0,0,0,0|1,0,1]=3 148 B13R1.589 CC(C)CC1=C(C=CC=C1)C(=O)O Z1171157982 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.589 CC(C)NC1=C(C=CC=C1)C(=O)O Z111833802 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.589 CC(C)NC1=C(C=CC=N1)C(=O)O Z71176798 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=O)O Z227714380 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=S)N Z295385428 [0,1,0,0,0,0|0,1,0]=2 153 B13R1.589 CC(C)OC1=C(C=CC=C1)C(C)N Z278080304 [0,1,0,0,0,0|1,0,1]=3 154 B13R1.589 CC(C)OC1=C(C=CC=N1)C(=O)O Z285179440 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.589 CC(C)OC1=C(C=CN=C1)C(=O)O Z1450951933 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.589 CC(C)OC1=C(N=CC=C1)C(=O)O Z808643224 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.589 CC(C)SC1=C(C=CC=C1)C(=O)O Z147642722 [0,1,0,0,0,0|1,1,0]=3 158 B13R1.589 CC(C)SC1=C(C=CC=N1)C(=O)O Z425485058 [0,1,0,0,0,0|2,1,0]=4 159 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O Z763367814 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.589 NC(=O)C1=C(C=CC=C1)OC(F)F Z68591371 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F Z56946844 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.589 O=C(O)C1=C(C=CC=C1)SC(F)F Z57046945 [0,1,0,0,0,0|2,1,0]=4 163 B13R1.2897 CCOC1=C(C(=CC=C1)F)B(O)O Z1255431749 [0,1,0,0,0,0|2,0,1]=4 164 B13R1.2897 CCOC1=C(C(=CC=N1)C)C(=O)O Z1471021487 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.4012 CCOC1=C(C=CC=C1F)B(O)O Z1198329855 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.4012 CCOC1=C(C=CC=C1F)C(=O)O Z994470774 [0,1,0,0,0,0|1,0,0]=2 167 B13R2.328 CC1=CC(=O)C2=C(N1)C=CC=C2 Z445211720 [0,0,0,1,0,0|2,0,1]=4 168 B13R2.328 CC1=CC2=C(C=CC=C2)C(=C1)N Z1255367543 [0,0,0,1,0,0|2,0,1]=4 169 B13R2.328 CC1=NC(=C2C=CC=CC2=C1)N Z1216821851 [0,0,0,1,0,0|2,0,1]=4 170 B13R2.328 CC1=NC2=C(C=CC=C2)C(=C1)N Z56851231 [0,0,0,1,0,0|2,0,1]=4 171 B13R2.328 CC1=NC2=C(C=CC=C2)C(=N1)N Z1198152669 [0,0,0,1,0,0|2,0,1]=4 172 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 Z56895688 [0,0,0,1,0,0|1,0,1]=3 173 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 Z96091926 [0,0,0,1,0,0|2,0,1]=4 174 B13R2.328 CC1=NC2=C(C=CN=C2)C(=O)N1 Z1216862026 [0,0,0,1,0,0|2,0,1]=4 175 B13R2.328 CC1CC(=O)C2=C(C1)C=CC=N2 Z4048181494 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.328 CC1CC(=O)C2=C(S1)C=CC=C2 Z431537760 [0,0,0,1,0,0|1,1,0]=3 177 B13R2.328 CC1CC2=C(C=CC=C2)C(=O)N1 Z1218937049 [0,0,0,1,0,0|1,0,0]=2 178 B13R2.328 CN1CC(=O)C2=C(C1)C=CC=C2 Z2651712699 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.328 NC1=CC2=C(C=CC=C2)C(=O)N1 Z278202458 [0,0,0,1,0,0|2,0,1]=4 180 B13R2.328 NC1=NC2=C(C=CC=C2)C(=O)N1 Z840267872 [0,0,0,1,0,0|2,0,1]=4 181 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Z133528266 [0,0,0,1,0,0|2,0,1]=4 182 B13R2.328 O=C1NC(=CC2=C1C=CC=C2)Cl Z325999716 [0,0,0,1,0,0|2,0,1]=4 183 B13R2.328 O=C1NC(=NC2=C1C=CC=C2)S Z56998592 [0,0,0,1,0,0|2,0,1]=4 184 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=C2 Z57177786 [0,0,0,1,0,0|2,0,1]=4 185 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,0,0,1,0,0|1,0,1]=3 186 B13R2.328 O=C1NC(=O)C2=C(S1)C=CC=C2 Z1649390235 [0,0,0,1,0,0|1,1,1]=4 187 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)Cl Z1570974375 [0,0,0,1,0,0|2,0,1]=4 188 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [0,0,0,1,0,0|2,0,0]=3 189 B13R2.2931 O=C1N/C(=N/O)/C2=C1C=CC=C2 Z2418414106 [0,0,0,1,0,0|3,0,0]=4 190 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,0,0,1,0,0|2,0,1]=4 191 B13R2.3122 CC1(CCOC2=C1C=CC=C2)C Z1255441405 [0,0,0,1,0,0|2,0,1]=4 192 B13R2.3122 CC1(CCOC2=C1C=CC=C2)N Z2896336823 [0,0,0,1,0,0|1,0,1]=3 193 B13R2.3122 N=S1(=O)CCNC2=C1C=CC=C2 Z2867303866 [0,0,0,1,0,0|2,0,1]=4 194 B13R2.3122 O=S1(=O)CCNC2=C1C=CC=C2 Z217166120 [0,0,0,1,0,0|3,0,0]=4 195 B13R2.5252 C=C1CCCOC2=C1C=CC=C2 Z1097113969 [0,0,0,1,0,0|2,0,0]=3 196 B13R2.5252 NC1CCCOC2=C1C=CC=C2 Z382721416 [0,0,0,1,0,0|1,0,1]=3 197 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [0,0,0,1,0,0|2,0,0]=3 198 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [0,0,0,1,0,0|1,0,0]=2 199 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [0,0,0,1,0,0|1,1,0]=3 200 B13R2.5252 O=C1CSCCC2=C1C=CC=C2 Z1407045833 [0,0,0,1,0,0|3,0,0]=4 201 B13R2.5252 O=C1NCC=NC2=C1C=CC=C2 Z1198311535 [0,0,0,1,0,0|1,0,1]=3 202 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [0,0,0,1,0,0|1,0,0]=2 203 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [0,0,0,1,0,0|0,0,0]=1 204 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [0,0,0,1,0,0|0,1,0]=2 205 B13R2.5252 O=S1CCCNC2=C1C=CC=C2 Z1266856052 [0,0,0,1,0,0|3,0,0]=4 206 B13R2.5514 O=C(O)C1=C(C=CC=C1)C2CC2 Z992239744 [0,0,0,1,0,0|2,0,0]=3 207 B13R2.5514 O=C(O)C1=C(C=CC=N1)C2CC2 Z3770261114 [0,0,0,1,0,0|3,0,0]=4 208 B13R2.5569 CC(=O)C1=C2OC=NC2=CC=C1 Z1198184854 [0,0,0,1,0,0|2,0,1]=4 209 B13R2.5569 CC(=O)C1=C2OCOC2=CC=C1 Z1255451889 [0,0,0,1,0,0|2,0,0]=3 210 B13R2.5569 NC(=O)C1=C2CNCC2=CC=C1 Z2581631533 [0,0,0,1,0,0|2,0,0]=3 211 B13R2.5569 NC(=O)C1=C2N=CNC2=CC=C1 Z1255430314 [0,0,0,1,0,0|2,0,1]=4 212 B13R2.5569 NC(=O)C1=C2NC=CC2=CC=C1 Z1255438908 [0,0,0,1,0,0|1,0,2]=4 213 B13R2.5569 NC(=O)C1=C2NN=CC2=CC=C1 Z296759592 [0,0,0,1,0,0|2,0,1]=4 214 B13R2.5569 NC(=O)C1=C2NN=NC2=CC=C1 Z1633462057 [0,0,0,1,0,0|3,0,0]=4 215 B13R2.5569 NC(=O)C1=C2OCCC2=CC=C1 Z1262683459 [0,0,0,1,0,0|0,0,0]=1 216 B13R2.5569 NC(=O)C1=C2OCOC2=CC=C1 Z741559894 [0,0,0,1,0,0|1,0,0]=2 217 B13R2.5569 NC(=O)C1=C2SC=CC2=CC=C1 Z1255391990 [0,0,0,1,0,0|0,1,2]=4 218 B13R2.5569 O=C(O)C1=C2CCCC2=CN=C1 Z2311244172 [0,0,0,1,0,0|3,0,0]=4 219 B13R2.5569 O=C(O)C1=C2CCCC2=NC=C1 Z1198305295 [0,0,0,1,0,0|3,0,0]=4 220 B13R2.5569 O=C(O)C1=C2CCNC2=CC=C1 Z2906281204 [0,0,0,1,0,0|3,0,0]=4 221 B13R2.5569 O=C(O)C1=C2CCOC2=CC=C1 Z1198272391 [0,0,0,1,0,0|3,0,0]=4 222 B13R2.5569 O=C(O)C1=C2NCCC2=CC=C1 Z1198341662 [0,0,0,1,0,0|2,0,0]=3 223 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 Z1201620458 [0,0,0,1,0,0|1,0,0]=2 224 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 Z553832512 [0,0,0,1,0,0|2,0,0]=3 225 B13R2.5569 O=C(O)C1=C2ON=NC2=CC=C1 Z1813245868 [0,0,0,1,0,0|3,0,0]=4 226 B13R2.5569 OB(O)C1=C2OCCC2=CC=C1 Z1198170833 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.193 CCCC1=C(C=CN1)C(=O)O Z1813087582 [0,0,0,0,1,0|3,0,0]=4 228 B11R1.193 CCCC1=C(C=CO1)C(=O)O Z1262532308 [0,0,0,0,1,0|3,0,0]=4 229 B11R1.193 CCOC1=C(C=CS1)C(=O)O Z1262555526 [0,0,0,0,1,0|2,0,0]=3 230 B11R1.193 CCOC1=C(SC=C1)C(=O)O Z1124714289 [0,0,0,0,1,0|2,0,0]=3 231 B13R1.380 CCCC1=C(C=CC=C1)NC(=S)N Z821155664 [0,0,0,0,0,1|1,1,0]=3 232 B13R1.380 CCSC1=C(C=CC=C1)CC(=O)O Z1262548435 [0,0,0,0,0,1|1,1,0]=3 233 B13R1.380 COCC1=C(C=CC=C1)CC(=O)O Z1262524600 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [2,0,0,0,0,0|1,0,1]=4 238 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.4 CCNC1=C(C=NC=C1)N Z359511456 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [2,0,0,0,0,0|0,0,0]=2 247 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [2,0,0,0,0,0|0,0,1]=3 248 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [2,0,0,0,0,0|1,0,0]=3 250 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [2,0,0,0,0,0|1,1,0]=4 251 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [2,0,0,0,0,0|0,1,0]=3 252 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [2,0,0,0,0,0|0,1,1]=4 253 B10R1.4 CCSC1=CC=CNC1=O Z1509297963 [2,0,0,0,0,0|1,1,0]=4 254 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.20 C#CC1=C(C=CC=C1)C=O Z1255373145 [2,0,0,0,0,0|0,0,2]=4 258 B10R1.20 CCC1=C(C=CC=C1)C#N Z979777106 [2,0,0,0,0,0|0,0,2]=4 259 B10R1.20 CCC1=C(C=CC=C1)C=O Z979776466 [2,0,0,0,0,0|0,0,0]=2 260 B10R1.20 CCC1=C(C=CC=C1)CN Z979776472 [2,0,0,0,0,0|0,0,1]=3 261 B10R1.20 CCC1=C(C=CC=C1)NC Z335279298 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.20 CCC1=C(C=CN=C1)C=O Z1255392222 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.20 CNC1=C(C=CC=C1)C=O Z1203730947 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.20 CNC1=C(C=CC=C1)CN Z4928209572 [2,0,0,0,0,0|1,0,1]=4 267 B10R1.20 CNC1=C(C=CC=N1)C=O Z1198166160 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.20 COC1=C(C=CC=C1)C#N Z51119297 [2,0,0,0,0,0|0,0,2]=4 269 B10R1.20 COC1=C(C=CC=C1)C=O Z53833342 [2,0,0,0,0,0|0,0,0]=2 270 B10R1.20 COC1=C(C=CC=C1)CN Z57102476 [2,0,0,0,0,0|0,0,1]=3 271 B10R1.20 COC1=C(C=CC=C1)CO Z104479146 [2,0,0,0,0,0|0,0,2]=4 272 B10R1.20 COC1=C(C=CC=C1)OC Z53833941 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.20 COC1=C(C=CC=N1)C=O Z1079442776 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.20 COC1=C(C=CN=C1)CN Z1973465553 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.20 COC1=C(C=NC=N1)C=O Z1216842967 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.20 COC1=C(N=CC=C1)C=O Z1198165843 [2,0,0,0,0,0|1,0,0]=3 277 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.20 COC1=C(N=CN=C1)C=O Z2732449060 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.20 CSC1=C(C=CC=C1)CN Z4617552846 [2,0,0,0,0,0|0,1,1]=4 280 B10R1.20 N#CC1=C(C=CC=C1)C=O Z147641756 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.20 NCC1=C(C=CC=C1)CO Z336080860 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.20 O=CC1=C(C=CC=C1)C=O Z104494958 [2,0,0,0,0,0|1,0,1]=4 283 B10R1.20 O=CC1=C(C=CC=C1)CO Z1216844620 [2,0,0,0,0,0|1,0,0]=3 284 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [2,0,0,0,0,0|1,0,0]=3 289 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.61 CC(=O)C1=C(C=CN=C1)C Z1198178359 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.61 CC(=O)C1=C(C=NC=C1)O Z1255445560 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.61 CC(N)C1=C(C=CC=C1)O Z234895795 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.61 CC1=C(C=CC=C1)C(=N)N Z1483957011 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.61 CC1=C(C=CC=C1)C(=S)N Z57046956 [2,0,0,0,0,0|0,1,0]=3 296 B10R1.61 CC1=C(C=CC=C1)[N+](=O)[O-] Z104473652 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.61 CC1=C(C=CN=C1)C(=O)N Z1198162078 [2,0,0,0,0,0|1,0,0]=3 299 B10R1.61 CC1=C(C=CN=C1)C(=O)O Z1708090074 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.61 CC1=C(C=NC=C1)C(=O)O Z199468010 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.61 N=C(N)C1=C(C=CC=C1)Br Z1266823189 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.61 N=C(N)C1=C(C=CC=C1)Cl Z1695669929 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.61 N=C(N)C1=C(C=CC=C1)F Z2442104317 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.61 N=C(N)C1=C(C=CC=C1)N Z199055442 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.61 N=C(N)C1=C(C=CC=C1)O Z1431002716 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.61 NC(=O)C1=C(C=CC=C1)Cl Z33546379 [2,0,0,0,0,0|1,0,0]=3 308 B10R1.61 NC(=O)C1=C(C=CC=C1)F Z33546498 [2,0,0,0,0,0|1,0,0]=3 309 B10R1.61 NC(=O)C1=C(C=CC=C1)I Z33546623 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.61 NC(=O)C1=C(C=CC=C1)N Z57036632 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.61 NC(=O)C1=C(C=CC=C1)O Z68590124 [2,0,0,0,0,0|0,0,0]=2 312 B10R1.61 NC(=O)C1=C(C=CC=N1)N Z1083218598 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.61 NC(=O)C1=C(C=CN=C1)Cl Z1198275382 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.61 NC(=O)C1=C(C=CN=C1)O Z1198177193 [2,0,0,0,0,0|1,0,0]=3 315 B10R1.61 NC(=O)C1=C(C=NC=C1)Br Z1269114039 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.61 NC(=O)C1=C(C=NC=C1)Cl Z1198237797 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.61 NC(=O)C1=C(N=CC=C1)Cl Z33546502 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.61 NC(=O)C1=C(N=CC=N1)O Z1201619905 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.61 NC(=S)C1=C(C=CC=C1)N Z99601360 [2,0,0,0,0,0|1,1,0]=4 320 B10R1.61 O=C(O)C1=C(C=CC=C1)Br Z57825381 [2,0,0,0,0,0|2,0,0]=4 321 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl Z57127537 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.61 O=C(O)C1=C(C=CC=C1)F Z57914061 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.61 O=C(O)C1=C(C=CC=C1)I Z57637028 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.61 O=C(O)C1=C(C=CC=C1)O Z56757226 [2,0,0,0,0,0|1,0,0]=3 325 B10R1.61 O=C(O)C1=C(C=CC=C1)S Z104477754 [2,0,0,0,0,0|1,1,0]=4 326 B10R1.61 O=C(O)C1=C(C=CC=N1)O Z608353738 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.75 C#CC1=C(C=CC=C1)OC(C)C Z1404683683 [1,1,0,0,0,0|1,0,1]=4 328 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O Z1143235775 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O Z1171158400 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.75 CC(C)NC1=C(C=CC=C1)C=O Z1262562821 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.75 CC(C)OC1=C(C=CC=C1)C=O Z53833344 [1,1,0,0,0,0|0,0,0]=2 332 B12R1.75 O=CC1=C(C=CC=C1)OC(F)F Z55671896 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.77 CNC(=O)C1=C(C=CC=C1)C=O Z1068186268 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O Z54125420 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.112 CCOC1=C(C=C(C=C1)Br)C#N Z57756797 [1,1,0,0,0,0|0,0,2]=4 336 B12R1.112 CCOC1=C(C=C(C=C1)Br)C=O Z53834335 [1,1,0,0,0,0|0,0,0]=2 337 B12R1.112 CCOC1=C(C=C(C=C1)Cl)C=O Z57498102 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.112 CCOC1=C(C=C(C=C1)N)CO Z408157854 [1,1,0,0,0,0|0,0,2]=4 339 B12R1.112 CCOC1=C(C=C(C=C1)N)OC Z57011404 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.121 C#CCOC1=C(C=CC=C1)C=O Z54475580 [1,1,0,0,0,0|0,0,1]=3 341 B12R1.121 C#CCOC1=C(C=CC=C1)CN Z1266854913 [1,1,0,0,0,0|0,0,2]=4 342 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [1,1,0,0,0,0|1,0,1]=4 343 B12R1.121 C=CCOC1=C(C=CC=C1)C=O Z54337089 [1,1,0,0,0,0|0,0,1]=3 344 B12R1.121 C=CCOC1=C(C=CC=C1)CN Z446020710 [1,1,0,0,0,0|0,0,2]=4 345 B12R1.121 COC1=C(C=CC=C1)OCCBr Z57842348 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.121 COC1=C(C=CC=C1)OCCCl Z381039148 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.121 COC1=C(C=CC=C1)OCCN Z56968779 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.121 N#CCOC1=C(C=CC=C1)C=O Z53790919 [1,1,0,0,0,0|0,0,1]=3 349 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [1,1,0,0,0,0|0,0,1]=3 350 B12R1.169 CCOC1=C(C=CC=C1)/C=N/O Z49568528 [1,1,0,0,0,0|0,0,1]=3 351 B12R1.169 CCOC1=C(C=CC=C1)CCN Z1263529598 [1,1,0,0,0,0|0,0,1]=3 352 B12R1.169 CCOC1=C(C=CC=C1)CNC Z600428330 [1,1,0,0,0,0|0,0,1]=3 353 B12R1.268 CCOC1=C(C=CC(=C1)C)CN Z972654306 [1,1,0,0,0,0|0,0,1]=3 354 B12R1.268 CCOC1=C(C=CC(=C1)Cl)C#N Z1082857968 [1,1,0,0,0,0|0,0,2]=4 355 B12R1.268 CCOC1=C(C=CC(=C1)Cl)CN Z1497158466 [1,1,0,0,0,0|0,0,1]=3 356 B12R1.268 CCOC1=C(C=CC(=C1)Cl)CO Z1862010725 [1,1,0,0,0,0|0,0,2]=4 357 B12R1.268 CCOC1=C(C=CC(=C1)N)OC Z239873266 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.268 CCSC1=C(C=CC(=C1)Br)C=O Z1157747376 [1,1,0,0,0,0|0,1,0]=3 359 B12R1.542 CCOC1=C(C(=CC=C1)F)C=O Z1511760465 [1,1,0,0,0,0|0,0,0]=2 360 B12R1.1112 CCOC1=C(C=CC=C1Cl)C=O Z1511806986 [1,1,0,0,0,0|0,0,0]=2 361 B12R1.46 CCC1=C(C=C(C=C1)Br)C(=O)O Z1269239111 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.46 CCC1=C(C=C(C=C1)C)C(=O)O Z1551918805 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.46 CCC1=C(C=C(C=C1)F)C(=O)O Z1255427041 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.46 CCC1=C(C=C(C=C1)N)[N+](=O)[O-] Z321031686 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.46 CCC1=C(C=C(C=N1)Br)C(=O)O Z1269123743 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.46 CNC1=C(C=C(C=C1)Cl)C(=O)O Z111833878 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.46 CNC1=C(C=C(C=C1)F)C(=O)O Z1080487080 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)O Z57915930 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.46 COC1=C(C=C(C=C1)Br)C(=S)N Z56987692 [1,1,0,0,0,0|0,1,0]=3 370 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)C Z104508102 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)N Z101185922 [1,1,0,0,0,0|0,0,0]=2 372 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)O Z94601371 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.46 COC1=C(C=C(C=C1)C)C(C)N Z94601375 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)C Z54601467 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)O Z104480402 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.46 COC1=C(C=C(C=C1)F)C(=O)C Z54601918 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.46 COC1=C(C=C(C=C1)F)C(=O)O Z234894074 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.46 COC1=C(C=C(C=C1)F)C(C)N Z332383672 [1,1,0,0,0,0|1,0,1]=4 379 B12R1.46 COC1=C(C=C(C=C1)N)C(=O)O Z2327883809 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.46 COC1=C(C=C(C=C1)N)[N+](=O)[O-] Z1201619226 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C Z1198163904 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)O Z1198279013 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.46 COC1=C(C=C(C=C1)O)[N+](=O)[O-] Z1201617635 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.46 COC1=C(C=C(C=N1)F)C(=O)O Z1198165238 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.46 COC1=C(C=C(C=N1)N)C(=O)N Z808241956 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.46 CSC1=C(C=C(C=C1)Br)C(=O)O Z1269196188 [1,1,0,0,0,0|1,1,0]=4 387 B12R1.46 CSC1=C(C=C(C=C1)N)C(=O)O Z732208930 [1,1,0,0,0,0|1,1,0]=4 388 B12R1.57 CCC1=C(C=CC(=C1)C)C(=O)O Z1551931508 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.57 CCC1=C(C=CC(=C1)Cl)C(=O)O Z1255426327 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.57 CCC1=C(C=CC(=C1)F)C(=O)O Z1255422782 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.57 CNC1=C(C=CC(=C1)Cl)C(=O)O Z1082851880 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.57 CNC1=C(C=CC(=C1)F)C(=O)O Z1198310366 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.57 CNC1=C(C=CC(=C1)I)C(=O)O Z2235409276 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)N Z964990652 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)O Z405053816 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.57 COC1=C(C=CC(=C1)C)C(=O)O Z118458672 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.57 COC1=C(C=CC(=C1)C)[N+](=O)[O-] Z202487574 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)C Z871801794 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)O Z118458694 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.57 COC1=C(C=CC(=C1)F)C(=O)C Z330830584 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.57 COC1=C(C=CC(=C1)I)C(=O)O Z1269240360 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)C Z1255387837 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)O Z1188346095 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.57 COC1=C(C=CC(=C1)N)[N+](=O)[O-] Z4510487499 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] Z1255387801 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.57 COC1=C(C=CC(=N1)N)C(=O)O Z1198176092 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.57 COC1=C(N=CC(=C1)Br)C(=O)N Z4749943568 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.57 COC1=C(N=CC(=C1)C)C(=O)O Z1255398419 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.57 COC1=CC(=O)NC=C1C(=O)O Z2940715271 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.57 CSC1=C(C=CC(=C1)Br)C(=O)O Z1492496043 [1,1,0,0,0,0|1,1,0]=4 411 B12R1.57 CSC1=C(C=CC(=C1)C)C(=O)O Z995154338 [1,1,0,0,0,0|1,1,0]=4 412 B12R1.57 CSC1=C(C=CC(=C1)F)C(=O)O Z228584388 [1,1,0,0,0,0|1,1,0]=4 413 B12R1.76 CCC1=C(C=CC=C1)S(=O)(=O)O Z2307166882 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.76 CNC1=C(C=CC=C1)S(=O)(=O)N Z425343670 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.76 COC1=C(C=CC=C1)C(C)(C)N Z449374472 [1,1,0,0,0,0|1,0,1]=4 416 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)Cl Z56911956 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)N Z45415608 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.76 COC1=C(C=NC=C1)S(=O)(=O)N Z2108378528 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.76 NCC1=C(C=CC=C1)S(=O)(=O)N Z2096659111 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.76 NS(=O)(=O)C1=C(C=CC=C1)CO Z1216845248 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.87 CCC1=C(C=CC=C1C)C(=O)O Z1262518625 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.87 CNC1=C(C=CC=C1F)C(=O)N Z994477682 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.87 CNC1=C(C=CC=C1F)C(=O)O Z994471522 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.87 CNC1=C(C=CC=C1N)C(=O)O Z2940715367 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.87 COC1=C(C=CC=C1F)C(=O)O Z994470772 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.87 CSC1=C(C=CC=C1Br)C(=O)O Z1269122928 [1,1,0,0,0,0|1,1,0]=4 427 B12R1.87 CSC1=C(C=CC=C1F)C(=O)O Z994476898 [1,1,0,0,0,0|1,1,0]=4 428 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [1,1,0,0,0,0|1,0,1]=4 429 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O Z1171157998 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.261 CC(N)C1=C(C=CC=C1)[N+](=O)[O-] Z1483956696 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.261 CC(O)C1=C(C=CC=C1)[N+](=O)[O-] Z228586260 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.261 N=C(N)C1=C(C=CC=C1)C(F)F Z3000846266 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [1,1,0,0,0,0|1,0,1]=4 434 B12R1.437 CCC1=C(C(=CC=C1)C)C(=O)O Z1198167150 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.437 CCC1=C(C(=CC=C1)F)C(=O)O Z1255452969 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.437 COC1=C(C(=CC=C1)C)C(=O)O Z1198153665 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.437 COC1=C(C(=CC=C1)Cl)C(=N)N Z5219474693 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.437 COC1=C(C(=CC=C1)Cl)C(=O)O Z335441678 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O Z1203161974 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.437 COC1=C(C(=CC=C1)F)C(C)N Z332383676 [1,1,0,0,0,0|1,0,1]=4 441 B12R1.437 COC1=C(C(=CC=C1)I)C(=O)O Z1269175202 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.437 COC1=C(C(=CC=C1)N)C(=O)C Z1983080705 [1,1,0,0,0,0|1,0,0]=3 443 B12R1.437 COC1=C(C(=CC=C1)N)C(=O)O Z1201621530 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.437 COC1=C(C(=CC=C1)O)C(=O)C Z1255438458 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.437 COC1=C(C(=O)NC=C1)C(=O)O Z1262545042 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.437 CSC1=C(C(=CC=C1)Cl)C(=O)N Z1615061412 [1,1,0,0,0,0|0,1,0]=3 447 B12R1.392 NC(=O)C1=C(C=CS1)OC(F)F Z1127744336 [0,1,0,0,1,0|2,0,0]=4 448 B14R1.483 CCOC1=C(C=CC=C1)NC(=O)CCl Z56862374 [0,1,0,0,0,1|1,0,0]=3 449 B14R1.483 CCOC1=C(C=CC=C1)OC(=O)NN Z56824378 [0,1,0,0,0,1|0,0,0]=2 450 B14R1.786 CC(=O)NC1=C(C=CC=C1)OCCN Z3998208577 [0,1,0,0,0,1|1,0,0]=3 451 B14R1.814 CC(C)OC1=C(C=CC=C1)CC(=O)O Z968693528 [0,1,0,0,0,1|1,0,0]=3 452 B14R1.814 CC(C)OC1=C(C=CC=C1)NC(=O)N Z434627988 [0,1,0,0,0,1|0,0,0]=2 453 B14R1.814 CC(C)SC1=C(C=CC=C1)NC(=O)N Z1424343998 [0,1,0,0,0,1|0,1,0]=3 454 B14R1.814 O=C(O)CC1=C(C=CC=C1)OC(F)F Z362118728 [0,1,0,0,0,1|2,0,0]=4 455 B14R1.5090 CCOC1=C(C=CC=C1Cl)CC(=O)O Z1823278392 [0,1,0,0,0,1|1,0,0]=3 456 B14R1.5090 COCC1=C(C=CC=C1Br)NC(=O)N Z992708280 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.5098 CCSC1=C(C(=CC=C1)F)NC(=O)N Z2172297488 [0,1,0,0,0,1|0,1,0]=3 458 B14R1.6721 CCSC1=C(C=C(C=C1)Cl)NC(=O)N Z1132528014 [0,1,0,0,0,1|0,1,0]=3 459 B14R1.67 C=CCOC1=C(C=C(C=C1)Cl)C(=O)N Z215220834 [0,2,0,0,0,0|0,0,1]=3 460 B14R1.67 CCCNC1=C(C=C(C=C1)C)C(=O)O Z111833874 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427986 [0,2,0,0,0,0|0,0,0]=2 462 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)O Z111427908 [0,2,0,0,0,0|1,0,0]=3 463 B14R1.6074 CC(=O)C1=C(C=CC(=C1)C)OC(F)F Z55672028 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.6074 CC(=O)C1=C(C=CC(=C1)Cl)OC(F)F Z55672002 [0,2,0,0,0,0|2,0,0]=4 465 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)C)C(=O)O Z415652776 [0,2,0,0,0,0|1,0,1]=4 466 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O Z991517134 [0,2,0,0,0,0|1,0,1]=4 467 B14R1.6074 CC(C)NC1=C(C=C(C=C1)Cl)C(=O)N Z1343374559 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.6074 CC(C)NC1=C(C=C(C=C1)I)C(=O)O Z1341390257 [0,2,0,0,0,0|2,0,0]=4 469 B14R1.6074 CC(C)OC1=C(C=C(C=C1)Cl)C(=O)O Z381396120 [0,2,0,0,0,0|1,0,0]=3 470 B14R1.6074 CC(C)OC1=C(C=C(C=C1)N)C(=O)N Z802837136 [0,2,0,0,0,0|0,0,0]=2 471 B14R1.6074 NC1=CC(=C(C=C1)OC(F)F)C(=O)O Z1259273256 [0,2,0,0,0,0|2,0,0]=4 472 B14R1.6074 O=C(O)C1=C(C=CC(=C1)Br)OC(F)F Z275128654 [0,2,0,0,0,0|2,0,0]=4 473 B14R1.6074 O=C(O)C1=C(C=CC(=C1)Cl)OC(F)F Z381395864 [0,2,0,0,0,0|2,0,0]=4 474 B14R1.6722 CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N Z45415563 [0,2,0,0,0,0|1,0,0]=3 475 B14R1.6722 CCOC1=C(C=C(C=C1)C)S(=O)(=O)N Z385452736 [0,2,0,0,0,0|1,0,0]=3 476 B14R1.6722 CCOC1=C(C=C(C=C1)N)S(=O)(=O)N Z381061420 [0,2,0,0,0,0|1,0,0]=3 477 B14R1.164 CC(=O)C1=C(C=C(C=C1)F)OC(F)F Z1080683588 [0,2,0,0,0,0|2,0,0]=4 478 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O Z1251413637 [0,2,0,0,0,0|1,0,1]=4 479 B14R1.164 CC(C)OC1=C(C=CC(=C1)Br)C(=O)O Z405053906 [0,2,0,0,0,0|1,0,0]=3 480 B14R1.164 CC(C)OC1=C(C=CC(=C1)N)C(=O)N Z1188349501 [0,2,0,0,0,0|0,0,0]=2 481 B14R1.164 NC(=O)C1=C(C=C(C=C1)F)OC(F)F Z1269178886 [0,2,0,0,0,0|1,0,0]=3 482 B14R1.164 O=C(O)C1=C(C=C(C=C1)F)OC(F)F Z1269193495 [0,2,0,0,0,0|2,0,0]=4 483 B14R1.440 CCOC1=C(C=CC(=C1)C)S(=O)(=O)N Z1269241720 [0,2,0,0,0,0|1,0,0]=3 484 B14R1.760 C=CCOC1=C(C=CC(=C1)Cl)C(=O)O Z118463640 [0,2,0,0,0,0|1,0,1]=4 485 B14R1.760 CC(=O)C1=C(C=C(C=C1)Br)OCCO Z1455192850 [0,2,0,0,0,0|1,0,0]=3 486 B14R1.760 CCCOC1=C(C=CC(=N1)C)C(=O)O Z995150032 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.5121 CCNC1=C(C=CC(=C1)C#N)C(=O)C Z1640896615 [0,2,0,0,0,0|2,0,0]=4 488 B14R1.5122 CCSC1=C(C=CC(=C1)Cl)C(=O)NC Z1690092763 [0,2,0,0,0,0|0,1,0]=3 489 B14R1.5320 CCOC1=C(C(=CC(=C1)Br)F)C(=O)C Z2740753057 [0,2,0,0,0,0|1,0,0]=3 490 B14R1.815 NS(=O)(=O)C1=C(C=CC=C1)OC(F)F Z385450668 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.263 CCNC1=C(C=CC=C1)C(=O)OCC Z381346678 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.263 CCOC1=C(C=CC=C1)C(=O)NOC Z239480402 [0,2,0,0,0,0|0,0,0]=2 493 B14R1.789 CCCOC1=C(C=CC=C1)/C(=N/O)/N Z317032522 [0,2,0,0,0,0|0,0,1]=3 494 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)CN Z2732641872 [0,2,0,0,0,0|0,0,0]=2 495 B14R1.317 CCS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z90122119 [0,2,0,0,0,0|1,1,0]=4 496 B14R1.429 CC(C)N(C)C1=C(C=CC=C1)C(=O)O Z335441284 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.903 C=CCCNC1=C(C=CC=C1)C(=O)C Z1252476440 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.903 CCCCNC1=C(C=CC=C1)C(=O)O Z56870802 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.903 COCCOC1=C(C=CC=C1)C(=N)N Z1982493944 [0,2,0,0,0,0|1,0,0]=3 500 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O Z227717390 [0,2,0,0,0,0|1,0,0]=3 501 B14R1.903 COCCOC1=C(C=CC=N1)C(=O)O Z285179272 [0,2,0,0,0,0|2,0,0]=4 502 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.3302 CCC(C)OC1=C(C=CC=C1)C(=O)O Z336337244 [0,2,0,0,0,0|1,0,0]=3 504 B14R1.3302 NC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56862614 [0,2,0,0,0,0|1,0,1]=4 505 B14R1.4432 C=CCNC1=CC=CC(=C1C(=O)N)C Z1343373579 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.4522 C=C(Br)COC1=C(C=CC=C1)C(=O)N Z784937476 [0,2,0,0,0,0|0,0,1]=3 507 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [0,2,0,0,0,0|1,0,1]=4 508 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,2,0,0,0,0|1,1,0]=4 509 B14R1.4522 CC(C)CNC1=C(C=CC=C1)C(=O)O Z111833848 [0,2,0,0,0,0|2,0,0]=4 510 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)N Z54420065 [0,2,0,0,0,0|0,0,0]=2 511 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O Z118459080 [0,2,0,0,0,0|1,0,0]=3 512 B14R1.4522 CC(C)COC1=C(C=CC=N1)C(=O)O Z285179308 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.4522 CN(C)CCC1=C(C=CC=C1)C(=O)O Z1688198420 [0,2,0,0,0,0|2,0,0]=4 514 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [0,2,0,0,0,0|0,0,1]=3 516 B14R1.4522 NC(=O)CNC1=C(C=CC=C1)C(=O)N Z232511850 [0,2,0,0,0,0|1,0,1]=4 517 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [0,2,0,0,0,0|1,0,1]=4 518 B14R1.4522 O=C(O)C1=C(C=CC=N1)OCC(F)F Z808644626 [0,2,0,0,0,0|2,0,0]=4 519 B14R1.4522 O=C(O)C1=C(N=CC=C1)OCC(F)F Z1526253207 [0,2,0,0,0,0|2,0,0]=4 520 B14R1.4894 CC(C)OC1=C(C=CC=C1N)C(=O)O Z1983079557 [0,2,0,0,0,0|1,0,0]=3 521 B14R1.6312 CC(C)(C)CC1=C(C=CC=C1)C(=O)O Z1198218374 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.6312 CS(=O)(=O)NC1=C(C=CC=C1)C(=O)N Z33545935 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.308 CCOC(=O)C1=C(N=CC=C1)N Z54734987 [0,0,1,1,0,0|2,0,0]=4 524 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [1,0,0,1,0,0|1,0,1]=4 525 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|1,0,0]=3 526 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|1,0,1]=4 527 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [1,0,0,1,0,0|0,0,1]=3 528 B12R2.18 CN1N=C2C=CC=CC2=C1N Z4958191038 [1,0,0,1,0,0|2,0,0]=4 529 B12R2.18 CN1NC2=C(C1=O)C=CC=C2 Z1255429786 [1,0,0,1,0,0|2,0,0]=4 530 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|1,0,1]=4 531 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [1,0,0,1,0,0|2,0,0]=4 533 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [1,0,0,1,0,0|1,0,1]=4 534 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [1,0,0,1,0,0|2,0,0]=4 535 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [1,0,0,1,0,0|1,0,1]=4 536 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [1,0,0,1,0,0|1,0,1]=4 537 B12R2.41 C1=CC2=C(C=C1)NCCNC2 Z382719980 [1,0,0,1,0,0|1,0,1]=4 538 B12R2.41 C1=CC2=C(C=C1)OCCCO2 Z56963396 [1,0,0,1,0,0|2,0,0]=4 539 B12R2.41 C1=CC2=C(C=C1)OCCNC2 Z355445126 [1,0,0,1,0,0|0,0,1]=3 540 B12R2.41 C1=CC2=C(C=C1)SCCNC2 Z1255495971 [1,0,0,1,0,0|0,1,1]=4 541 B12R2.41 C1=CC2=C(C=N1)CNCCO2 Z4202576168 [1,0,0,1,0,0|1,0,1]=4 542 B12R2.41 C1=CC2=C(C=N1)OCCNC2 Z2143573784 [1,0,0,1,0,0|1,0,1]=4 543 B12R2.41 C1=CC2=C(N=C1)OCCNC2 Z2143572903 [1,0,0,1,0,0|1,0,1]=4 544 B12R2.315 NCC1=C2OCOC2=CC=C1 Z432060938 [1,0,0,1,0,0|1,0,1]=4 545 B12R2.315 O=CC1=C2CCCC2=CC=C1 Z1216830989 [1,0,0,1,0,0|1,0,0]=3 546 B12R2.315 O=CC1=C2CCOC2=CC=C1 Z1198162687 [1,0,0,1,0,0|2,0,0]=4 547 B12R2.315 O=CC1=C2COCC2=CC=C1 Z1416172152 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.315 O=CC1=C2OC=CC2=CC=C1 Z1198176767 [1,0,0,1,0,0|0,0,2]=4 549 B12R2.315 O=CC1=C2OCCC2=CC=C1 Z1201623257 [1,0,0,1,0,0|0,0,0]=2 550 B12R2.315 O=CC1=C2OCOC2=CC=C1 Z275127918 [1,0,0,1,0,0|1,0,0]=3 551 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|1,0,1]=4 552 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [1,0,0,1,0,0|0,0,1]=3 553 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [1,0,0,1,0,0|0,1,1]=4 554 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [1,0,0,1,0,0|0,0,1]=3 555 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [1,0,0,1,0,0|0,0,2]=4 556 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [1,0,0,1,0,0|1,0,0]=3 557 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [1,0,0,1,0,0|2,0,0]=4 558 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [1,0,0,1,0,0|2,0,0]=4 559 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [1,0,0,1,0,0|2,0,0]=4 560 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [1,0,0,1,0,0|1,0,0]=3 561 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [1,0,0,1,0,0|0,0,0]=2 562 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [1,0,0,1,0,0|1,0,0]=3 563 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [1,0,0,1,0,0|0,1,0]=3 564 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [1,0,0,1,0,0|2,0,0]=4 565 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [1,0,0,1,0,0|2,0,0]=4 566 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [1,0,0,1,0,0|2,0,0]=4 567 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,1,0,0|0,0,2]=4 568 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,1,0,0|0,0,2]=4 569 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,1,0,0|0,0,2]=4 570 B12R2.2048 NCC1=C(C=CC=C1)C2CC2 Z3033510967 [1,0,0,1,0,0|1,0,1]=4 571 B12R2.2048 O=CC1=C(C=CC=C1)C2CC2 Z336079830 [1,0,0,1,0,0|1,0,0]=3 572 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [1,0,0,1,0,0|1,0,0]=3 573 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [1,0,0,1,0,0|1,0,1]=4 574 B12R2.2028 CN1C=C(C2=C1C=CC=C2)N Z2787455551 [1,0,0,1,0,0|2,0,0]=4 575 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [1,0,0,1,0,0|1,0,0]=3 576 B12R2.2028 CN1NC(=O)C2=C1N=CC=C2 Z1041148082 [1,0,0,1,0,0|2,0,0]=4 577 B12R2.2028 C[C@@H]1N[C@H](C2=C1C=CC=C2)C Z3675010941 [1,0,0,1,0,0|1,0,1]=4 578 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [1,0,0,1,0,0|1,0,1]=4 579 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [1,0,0,1,0,0|2,0,0]=4 580 B12R2.2403 CC1(CCC2=C1C=CC=C2)N Z449371306 [1,0,0,1,0,0|1,0,1]=4 581 B12R2.2403 CC1(COC2=C1C=CC=C2)N Z5094222723 [1,0,0,1,0,0|1,0,1]=4 582 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [1,0,0,1,0,0|1,0,1]=4 583 B12R2.229 O=C1NCCCC2=C1C=CN2 Z1262566096 [0,0,0,1,1,0|2,0,0]=4 584 B12R2.229 O=C1NCCCC2=C1C=CO2 Z1198159924 [0,0,0,1,1,0|2,0,0]=4 585 B12R2.229 O=C1NCCNC2=C1SC=C2 Z1142498053 [0,0,0,1,1,0|2,0,0]=4 586 B14R2.391 O=C1CCCCC2=C(N1)C=CC=C2 Z1255423561 [0,0,0,1,0,1|2,0,0]=4 587 B14R2.642 CC(=O)C1=C(OC2=C1C=CC=C2)C Z276572636 [0,0,0,1,0,1|1,0,1]=4 588 B14R2.642 CC(=O)N1C2=C(C=CC=C2)CC1C Z27690969 [0,0,0,1,0,1|2,0,0]=4 589 B14R2.642 CC1=C(C2=C(O1)C=CC=C2)C(=O)O Z1198157052 [0,0,0,1,0,1|1,0,1]=4 590 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)N Z1724114279 [0,0,0,1,0,1|2,0,0]=4 591 B14R2.738 CC1CC(=O)NC2=C(N1)C=CC=C2 Z56979282 [0,0,0,1,0,1|2,0,0]=4 592 B14R2.738 CC1CC(=O)NC2=C(S1)C=CC=C2 Z368413012 [0,0,0,1,0,1|1,1,0]=4 593 B14R2.1146 CCC1=CC(=O)NC2=C1C=CC=C2 Z1258980280 [0,0,0,1,0,1|2,0,0]=4 594 B14R2.9440 O=C(O)CC1=C2OCOC2=CC=C1 Z1262526091 [0,0,0,1,0,1|2,0,0]=4 595 B14R2.31359 N=C(N)C1CCCC2=C1C=CC=C2 Z1365396759 [0,0,0,1,0,1|2,0,0]=4 596 B14R2.31359 NC(=O)C1CCNC2=C1C=CC=C2 Z1255503269 [0,0,0,1,0,1|1,0,0]=3 597 B14R2.31359 NC(=O)C1NCCC2=C1C=CC=C2 Z844454790 [0,0,0,1,0,1|2,0,0]=4 598 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 Z235361249 [0,0,0,1,0,1|2,0,0]=4 599 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 Z2568751807 [0,0,0,1,0,1|2,0,0]=4 600 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 Z792377210 [0,0,0,1,0,1|1,0,0]=3 601 B14R2.31359 O=C(O)C1CCSC2=C1C=CC=C2 Z1262395890 [0,0,0,1,0,1|1,1,0]=4 602 B14R2.628 CC(N)C1=C2OCCC2=CC(=C1)Cl Z2901704166 [0,1,0,1,0,0|1,0,1]=4 603 B14R2.628 CC1=CC(=C2CCCC2=C1)C(=O)O Z1262523460 [0,1,0,1,0,0|2,0,0]=4 604 B14R2.628 CC1=CC(=C2OCCC2=C1)C(=O)O Z1255392837 [0,1,0,1,0,0|1,0,0]=3 605 B14R2.628 O=C(O)C1=C2CCCC2=CC(=C1)F Z4606228929 [0,1,0,1,0,0|2,0,0]=4 606 B14R2.628 O=C(O)C1=C2OCCC2=CC(=C1)Cl Z1262513028 [0,1,0,1,0,0|1,0,0]=3 607 B14R2.628 O=C(O)C1=C2OCOC2=CC(=C1)Br Z1681368056 [0,1,0,1,0,0|2,0,0]=4 608 B14R2.5637 CC1=CC2=C(C=C1)NCCNC2=O Z1255429828 [0,1,0,1,0,0|1,0,0]=3 609 B14R2.5637 CC1=CC2=C(C=C1)OCCCC2=O Z56928887 [0,1,0,1,0,0|1,0,0]=3 610 B14R2.5637 NC1=CC2=C(C=C1)CCCNC2=O Z1262648374 [0,1,0,1,0,0|1,0,0]=3 611 B14R2.5637 NC1=CC2=C(C=C1)OCCNC2=O Z1255366808 [0,1,0,1,0,0|0,0,0]=2 612 B14R2.5637 NC1CCCOC2=C1C=C(C=C2)Br Z3303332200 [0,1,0,1,0,0|1,0,1]=4 613 B14R2.5637 NC1CCCOC2=C1C=C(C=C2)F Z803129954 [0,1,0,1,0,0|1,0,1]=4 614 B14R2.5637 O=C1CCCCC2=C1C=C(C=C2)Br Z1008431016 [0,1,0,1,0,0|2,0,0]=4 615 B14R2.5637 O=C1CCCCC2=C1C=C(C=C2)Cl Z1008430994 [0,1,0,1,0,0|2,0,0]=4 616 B14R2.5637 O=C1CCCCC2=C1C=C(C=C2)O Z1513599562 [0,1,0,1,0,0|2,0,0]=4 617 B14R2.5637 O=C1CCCOC2=C1C=C(C=C2)Br Z237731936 [0,1,0,1,0,0|1,0,0]=3 618 B14R2.5637 O=C1CCCOC2=C1C=C(C=C2)Cl Z382721400 [0,1,0,1,0,0|1,0,0]=3 619 B14R2.5637 O=C1CCCOC2=C1C=C(C=C2)F Z235347009 [0,1,0,1,0,0|1,0,0]=3 620 B14R2.5637 O=C1CCCOC2=C1C=C(C=C2)I Z384973014 [0,1,0,1,0,0|1,0,0]=3 621 B14R2.5637 O=C1CCCSC2=C1C=C(C=C2)Br Z390053096 [0,1,0,1,0,0|1,1,0]=4 622 B14R2.5637 O=C1CCCSC2=C1C=C(C=C2)Cl Z384973648 [0,1,0,1,0,0|1,1,0]=4 623 B14R2.5637 O=C1NCCNC2=C1C=C(C=C2)Br Z1269159409 [0,1,0,1,0,0|1,0,0]=3 624 B14R2.5637 O=C1NCCOC2=C1C=C(C=C2)Br Z1269206073 [0,1,0,1,0,0|0,0,0]=2 625 B14R2.5637 O=C1NCCOC2=C1C=C(C=C2)F Z1198159494 [0,1,0,1,0,0|0,0,0]=2 626 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)O Z1513597250 [0,1,0,1,0,0|1,0,1]=4 627 B14R2.8235 NC1=CC2=C(C=C1)OC(=O)NC2=O Z1262652219 [0,1,0,1,0,0|1,0,1]=4 628 B14R2.8235 O=C1NC(=O)C2=C(O1)C=CC(=C2)Br Z1269169632 [0,1,0,1,0,0|1,0,1]=4 629 B14R2.8235 O=C1NC(=O)C2=C(O1)C=CC(=C2)Cl Z1262692006 [0,1,0,1,0,0|1,0,1]=4 630 B14R2.8235 O=C1NC(=O)C2=C(O1)C=CC(=C2)F Z1262693326 [0,1,0,1,0,0|1,0,1]=4 631 B14R2.9205 CC1=CC(=C(C=C1)C2CC2)C(=O)O Z1436228520 [0,1,0,1,0,0|2,0,0]=4 632 B14R2.9205 O=C(O)C1=C(C=CC(=C1)Br)C2CC2 Z1947517981 [0,1,0,1,0,0|2,0,0]=4 633 B14R2.8653 CC1=C2CCCC2=C(C=C1)C(=O)O Z1262513346 [0,1,0,1,0,0|2,0,0]=4 634 B14R2.8653 O=C(O)C1=C2CCCC2=C(C=C1)F Z3991146703 [0,1,0,1,0,0|2,0,0]=4 635 B14R2.8653 O=C(O)C1=C2OCCC2=C(C=C1)F Z2942657239 [0,1,0,1,0,0|1,0,0]=3 636 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 Z1362956347 [0,1,0,1,0,0|1,0,0]=3 637 B14R2.8719 O=C1CCCCC2=C1C=CC(=C2)Br Z1269159915 [0,1,0,1,0,0|2,0,0]=4 638 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Br Z235344819 [0,1,0,1,0,0|1,0,0]=3 639 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Cl Z1362956332 [0,1,0,1,0,0|1,0,0]=3 640 B14R2.8719 O=C1NCCCC2=C1C=CC(=C2)O Z1198174116 [0,1,0,1,0,0|1,0,0]=3 641 B14R2.8719 O=C1NCCOC2=C1C=CC(=C2)Br Z1661213704 [0,1,0,1,0,0|0,0,0]=2 642 B14R2.29365 CC1=CC(=O)C2=C(O1)C=C(C=C2)Br Z2737414453 [0,1,0,1,0,0|1,0,1]=4 643 B14R2.29365 CC1CC2=C(C=CC(=C2)Br)C(=O)O1 Z1813376808 [0,1,0,1,0,0|2,0,0]=4 644 B14R2.29365 O=C1NC(=O)C2=C(O1)C=C(C=C2)Cl Z1262692545 [0,1,0,1,0,0|1,0,1]=4 645 B14R2.5495 O=S1(=O)NCCOC2=C1C=CC=C2 Z2311338738 [0,1,0,1,0,0|1,0,0]=3 646 B14R2.15533 NS(=O)(=O)C1=C2NCCC2=CC=C1 Z1216831226 [0,1,0,1,0,0|2,0,0]=4 647 B14R2.15533 O=S(=O)(F)C1=C2OCCC2=CC=C1 Z2907425195 [0,1,0,1,0,0|2,0,0]=4 648 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 Z57234677 [0,1,0,1,0,0|1,0,1]=4 649 B14R2.2014 OCC1NCCOC2=C1C=CC=C2 Z2899612131 [0,1,0,1,0,0|0,0,2]=4 650 B14R2.3459 CC1(CCOC2=C1C=CC=C2)CN Z4927160563 [0,1,0,1,0,0|1,0,1]=4 651 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1N Z56922165 [0,1,0,1,0,0|1,0,1]=4 652 B14R2.8188 NN1C(=O)OC2=C(C1=O)C=CC=C2 Z203888386 [0,1,0,1,0,0|1,0,1]=4 653 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=O)N1O Z1528723634 [0,1,0,1,0,0|1,0,1]=4 654 B14R2.10782 COC(=O)C1=C2NCCC2=CC=C1 Z1198266457 [0,1,0,1,0,0|2,0,0]=4 655 B14R2.19306 CCN1C(=O)C(=O)C2=C1C=CC=C2 Z56791052 [0,1,0,1,0,0|2,0,0]=4 656 B14R2.19306 CN1C(=O)C2=C(C1CN)C=CC=C2 Z2683209347 [0,1,0,1,0,0|2,0,0]=4 657 B14R2.19587 CCN1C=C(C2=C1C=CC=C2)C=O Z57498107 [0,1,0,1,0,0|2,0,0]=4 658 B14R2.19587 CCN1N=C(C2=C1C=CC=C2)C=O Z1525508496 [0,1,0,1,0,0|1,0,1]=4 659 B14R2.782 CC1(CC1)C2=C(C=CC=C2)C(=O)O Z1222425059 [0,1,0,1,0,0|2,0,0]=4 660 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 Z50146900 [0,1,0,1,0,0|2,0,0]=4 661 B14R2.9532 O=C(O)C1=C(C=CC=C1)C2CCC2 Z1262557098 [0,1,0,1,0,0|2,0,0]=4 662 B14R2.17370 CC1(NC(=O)C2=C1C=CC=C2)CN Z4947198786 [0,1,0,1,0,0|2,0,0]=4 663 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 Z1198224378 [0,1,0,1,0,0|2,0,0]=4 664 B14R2.4 CC1COC2=C(C=CC=C12)C(=O)O Z1262515212 [0,1,0,1,0,0|1,0,0]=3 665 B14R2.4 CN1CCC2=C(C=CC=C12)C(=O)O Z1094714376 [0,1,0,1,0,0|2,0,0]=4 666 B14R2.52 CC1CSC2=C(C=CC=C2)C(=O)N1 Z1509218261 [0,1,0,1,0,0|0,1,0]=3 667 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 Z335800086 [0,1,0,1,0,0|0,0,1]=3 668 B14R2.510 O=C1NC(C2=C1C=CC=C2)CCO Z1509190484 [0,1,0,1,0,0|1,0,0]=3 669 B14R2.1019 CCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211736 [0,1,0,1,0,0|2,0,0]=4 670 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=C1)N Z960964120 [0,1,0,1,0,0|2,0,0]=4 671 B14R2.1019 CCC1CC2=C(C=CC=C2)C(=O)N1 Z1218937099 [0,1,0,1,0,0|1,0,0]=3 672 B14R2.1019 CCN1CC(=O)C2=C(C1)C=CC=C2 Z4053135938 [0,1,0,1,0,0|2,0,0]=4 673 B14R2.1019 COC1=NC2=C(C=CC=C2)C(=O)N1 Z1575143739 [0,1,0,1,0,0|1,0,1]=4 674 B14R2.1019 NCC1CC(=O)C2=C(O1)C=CC=C2 Z2739607300 [0,1,0,1,0,0|1,0,0]=3 675 B14R2.9513 O=C(O)C1=C(C=CC=C1)OC2CC2 Z1255375233 [0,1,0,1,0,0|1,0,0]=3 676 B14R2.712 CC1CC2=C(O1)C(=CC=C2)C(=O)O Z1198723557 [0,1,0,1,0,0|1,0,0]=3 677 B14R2.712 O=C1CC2=CC=CC(=C2O1)C(=O)O Z1262521063 [0,1,0,1,0,0|1,0,1]=4 678 B14R2.25733 CC(C)C1CC(=O)C2=C1C=CC=C2 Z1157837453 [0,1,0,1,0,0|2,0,0]=4 679 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C Z1201624073 [0,1,0,1,0,0|1,0,0]=3 680 B14R2.29496 CC1(CC(=O)C2=C(O1)N=CC=C2)C Z1258977837 [0,1,0,1,0,0|2,0,0]=4 681 B14R2.29496 CC1(CC(=O)C2=C(S1)C=CC=C2)C Z1726051658 [0,1,0,1,0,0|1,1,0]=4 682 B14R2.29496 CC1(CC(C2=C(O1)C=CC=C2)N)C Z1235966169 [0,1,0,1,0,0|1,0,1]=4 683 B14R2.29496 CC1(NC(=O)C2=C(O1)C=CC=C2)C Z57183305 [0,1,0,1,0,0|0,0,0]=2 684 B14R2.4497 NC(=O)C1=C(N=CC2=C1CCC2)Cl Z4882196290 [0,1,0,1,0,0|2,0,0]=4 685 B14R2.4497 O=C(O)C1=C(C=CC2=C1OCC2)F Z3243523770 [0,1,0,1,0,0|1,0,0]=3 686 B14R2.4497 O=C(O)C1=C(C=CC2=C1OCO2)Br Z1269165961 [0,1,0,1,0,0|2,0,0]=4 687 B14R2.4497 O=C(O)C1=C(C=CC2=C1OCO2)Cl Z1269154625 [0,1,0,1,0,0|2,0,0]=4 688 B14R2.4497 O=C(O)C1=C(C=CC2=C1OCO2)F Z1198184431 [0,1,0,1,0,0|2,0,0]=4 689 B14R2.8864 CC1=C2C(=O)NCCNC2=CC=C1 Z1567783064 [0,1,0,1,0,0|1,0,0]=3 690 B14R2.8864 O=C1NCCNC2=CC=CC(=C12)Br Z2311244186 [0,1,0,1,0,0|1,0,0]=3 691 B14R2.9055 O=C(O)C1=C(C=CC=C1F)C2CC2 Z1741792231 [0,1,0,1,0,0|2,0,0]=4 692 B14R2.28480 CC1=CC2=C(C(=O)N1)C(=CC=C2)Br Z1737946536 [0,1,0,1,0,0|1,0,1]=4 693 B14R2.28480 CC1=NC2=C(C(=O)N1)C(=CC=C2)Cl Z1198279517 [0,1,0,1,0,0|1,0,1]=4 694 B14R2.28480 CC1CC2=C(C(=O)O1)C(=CC=C2)O Z1198723372 [0,1,0,1,0,0|2,0,0]=4 695 B14R2.685 CC1=C2OCCCC(=O)C2=CC=C1 Z235346291 [0,1,0,1,0,0|1,0,0]=3 696 B14R2.685 O=C1CCCOC2=C(C=CC=C12)Br Z382721412 [0,1,0,1,0,0|1,0,0]=3 697 B14R2.685 O=C1CCCOC2=C(C=CC=C12)Cl Z382721410 [0,1,0,1,0,0|1,0,0]=3 698 B14R2.685 O=C1CCCOC2=C(C=CC=C12)F Z382721408 [0,1,0,1,0,0|1,0,0]=3 699 B14R2.685 O=C1NCCCC2=C(C=CC=C12)O Z1509192845 [0,1,0,1,0,0|1,0,0]=3 700 B14R2.685 O=C1NCCNC2=C(C=CC=C12)Br Z4425548684 [0,1,0,1,0,0|1,0,0]=3 701 B14R2.8045 CC1CC2=C(C=CC=C2Br)C(=O)N1 Z1218937046 [0,1,0,1,0,0|1,0,0]=3 702 B10R1.5 CCCN1C=CC=C1C=O Z336080544 [1,0,0,0,1,0|2,0,0]=4 703 B10R1.39 CCC1=C(C=CN1)C(=O)O Z1416192080 [1,0,0,0,1,0|2,0,0]=4 704 B10R1.39 CCC1=C(C=CO1)C(=O)O Z1205494709 [1,0,0,0,1,0|2,0,0]=4 705 B10R1.39 CCC1=C(OC=C1)C(=O)O Z1205495479 [1,0,0,0,1,0|2,0,0]=4 706 B10R1.39 CCC1=C(SC=C1)C(=O)N Z803943296 [1,0,0,0,1,0|1,0,0]=3 707 B10R1.39 CCC1=C(SC=C1)C(=O)O Z608482636 [1,0,0,0,1,0|2,0,0]=4 708 B10R1.39 CCC1=CNC=C1C(=O)O Z1813204808 [1,0,0,0,1,0|2,0,0]=4 709 B10R1.39 CCC1=CSC=C1C(=O)O Z1198727066 [1,0,0,0,1,0|2,0,0]=4 710 B10R1.39 CCN1C=CC=C1C(=O)O Z425487628 [1,0,0,0,1,0|2,0,0]=4 711 B10R1.39 COC1=C(C=CS1)C(=O)O Z1262517788 [1,0,0,0,1,0|2,0,0]=4 712 B10R1.39 COC1=C(SC=C1)C(=O)C Z1255500699 [1,0,0,0,1,0|2,0,0]=4 713 B10R1.39 COC1=C(SC=C1)C(=O)O Z1124707084 [1,0,0,0,1,0|2,0,0]=4 714 B10R1.39 COC1=CSC=C1C(=O)O Z1201618692 [1,0,0,0,1,0|2,0,0]=4 715 B12R1.279 CCNC1=CC(=CC=C1)C(=O)O Z3875496023 [0,0,0,0,1,1|2,0,0]=4 716 B12R1.279 CCOC1=CC(=CC=C1)C(=N)N Z1268152274 [0,0,0,0,1,1|1,0,0]=3 717 B12R1.279 CCOC1=CC(=CC=C1)C(=O)C Z54179676 [0,0,0,0,1,1|1,0,0]=3 718 B12R1.279 CCOC1=CC(=CC=C1)C(=O)N Z274459672 [0,0,0,0,1,1|0,0,0]=2 719 B12R1.279 CCOC1=CC(=CC=C1)C(=O)O Z111782446 [0,0,0,0,1,1|1,0,0]=3 720 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N Z56979299 [0,0,0,0,1,1|0,1,0]=3 721 B12R1.279 CCOC1=CC(=CC=C1)C(C)N Z278080564 [0,0,0,0,1,1|1,0,1]=4 722 B12R1.279 CCOC1=NC=CC(=C1)C(=O)O Z319446996 [0,0,0,0,1,1|2,0,0]=4 723 B12R1.279 CCSC1=CC(=CC=C1)C(=O)O Z1201631366 [0,0,0,0,1,1|1,1,0]=4 724 B12R1.279 CNCC1=CC(=CC=C1)C(=O)N Z752989064 [0,0,0,0,1,1|2,0,0]=4 725 B12R1.279 COCC1=CC(=CC=C1)C(=O)N Z101185906 [0,0,0,0,1,1|2,0,0]=4 726 B12R1.279 NCCC1=CC(=CC=C1)C(=O)N Z1262327414 [0,0,0,0,1,1|2,0,0]=4 727 B14R1.482 CCOC1=C(C=CC=C1)/C=C/C(=O)O Z2942852523 [0,0,0,0,0,2|1,0,0]=3 728 B14R1.482 CCOC1=C(C=CC=C1)CCC(=O)N Z87615066 [0,0,0,0,0,2|0,0,0]=2 729 B14R1.482 CCOC1=C(C=CC=C1)CCC(=O)O Z89270870 [0,0,0,0,0,2|1,0,0]=3 730 B14R1.482 CCOC1=C(C=CC=C1)NCC(=O)N Z104883246 [0,0,0,0,0,2|0,0,0]=2 731 B14R1.482 CCOC1=C(C=CC=C1)OCC(=O)O Z56824183 [0,0,0,0,0,2|1,0,0]=3