0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.32 CCNC(=O)NC1=CN=CC=C1 Z44592359 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C Z44589983 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)F Z44586779 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F Z53835949 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.20 CCNC(=O)CC1=CC(=CC=C1)F Z32025095 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)Cl Z44590091 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)N Z356292614 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.20 CCNC(=O)OC1=CC(=CC=C1)O Z2467210012 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)C Z979746960 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Cl Z982130886 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.20 CONC(=O)CC1=CC(=CC=C1)F Z247486334 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [0,1,0,0,0,0|0,0,1]=2 82 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.44 CCNCC(=O)NC1=CC=CC=C1 Z1457920782 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.44 NCCNC(=S)NC1=CC=CC=C1 Z56814594 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.44 O=C(NCCO)OC1=CC=CC=C1 Z31725824 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 Z2755013956 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 Z1274177321 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.79 CCNC(CC)CC1=CC=CC=C1 Z513799512 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.79 CNC(COC)CC1=CC=CC=C1 Z1836338813 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.135 CCN(N)C(=S)NC1=CC=CC=C1 Z56822471 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.348 CC(C)NC(=O)CC1=NC=CC=C1 Z1736981249 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 Z44580881 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.470 CCNC(=O)CC1=C(C=CC=C1)F Z32024739 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)F Z44591387 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)F Z53836539 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.470 CN(CCN)CC1=C(C=CC=C1)Cl Z415691250 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.470 CONC(=O)CC1=C(C=CC=C1)C Z193293116 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.470 CONC(=O)CC1=C(C=CC=C1)Cl Z247486336 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.470 CONC(=O)CC1=C(C=CC=C1)F Z247486228 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,0,0,1,0,0|0,0,0]=1 118 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [0,0,0,1,0,0|3,0,0]=4 119 B13R2.15 F[C@@H]1CNC[C@@H]1C2=CC=CC=C2 Z3222118152 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [0,0,0,1,0,0|1,0,1]=3 121 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,0,0,1,0,0|2,0,0]=3 122 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [0,0,0,1,0,0|2,0,1]=4 124 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,0,0,1,0,0|1,0,1]=3 125 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [0,0,0,1,0,0|2,0,1]=4 126 B13R2.15 O=C1NCCN1C2=CC=CC=C2 Z1201621797 [0,0,0,1,0,0|2,0,1]=4 127 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [0,0,0,1,0,0|2,0,1]=4 128 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,0,0,1,0,0|3,0,0]=4 131 B13R2.25 O=C=NC1CC1C2=CC=CC=C2 Z1094720198 [0,0,0,1,0,0|1,0,2]=4 132 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,0,0,1,0,0|2,0,1]=4 133 B13R2.26 CCNC1=NC2=C(S1)C=CC=C2 Z55176255 [0,0,0,1,0,0|2,0,1]=4 134 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.26 NCCN1CC2=C(C1)C=CC=C2 Z823287506 [0,0,0,1,0,0|3,0,0]=4 136 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.31 NC1CC(C1)NC2=CC=CC=C2 Z2753743538 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,0,0,1,0,0|2,0,0]=3 139 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,0,0|1,0,1]=3 140 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,0,0|2,0,0]=3 141 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,1,0,0|2,0,0]=3 143 B13R2.64 C1=CC(=CC=N1)CC2CCCN2 Z3251716672 [0,0,0,1,0,0|1,0,0]=2 144 B13R2.64 C1=CC(=CC=N1)NC2CCCC2 Z359297434 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 Z1255415487 [0,0,0,1,0,0|1,0,1]=3 146 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,0,0,1,0,0|0,0,0]=1 147 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,0,0,1,0,0|2,0,0]=3 148 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [0,0,0,1,0,0|2,0,0]=3 149 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 Z334877896 [0,0,0,1,0,0|2,0,0]=3 150 B13R2.64 C1=CC=C(C=C1)NC2CCNC2 Z970090328 [0,0,0,1,0,0|3,0,0]=4 151 B13R2.64 C1=CC=C(C=C1)OC2CCNC2 Z975916118 [0,0,0,1,0,0|3,0,0]=4 152 B13R2.64 C1=CN=C(C=C1)CN2CCCC2 Z232680510 [0,0,0,1,0,0|3,0,0]=4 153 B13R2.64 C1=CN=C(C=C1)NC2CCCC2 Z31239725 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.135 CCN1C(=NC2=C1C=CC=C2)N Z56921771 [0,0,0,1,0,0|2,0,1]=4 155 B13R2.135 CCN1C(=NC2=C1C=CC=C2)S Z56896246 [0,0,0,1,0,0|2,0,1]=4 156 B13R2.135 CCN1C(=O)NC2=C1C=CC=C2 Z57114989 [0,0,0,1,0,0|2,0,1]=4 157 B13R2.135 CC[N+]1=C(SC2=C1C=CC=C2)C Z56764369 [0,0,0,1,0,0|1,0,2]=4 158 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,0,0,1,0,0|3,0,0]=4 159 B13R2.163 CC1CCNC2=C(N1)C=CC=C2 Z1258763758 [0,0,0,1,0,0|3,0,0]=4 160 B13R2.163 CC1CCNC2=C(S1)C=CC=C2 Z56347587 [0,0,0,1,0,0|3,0,0]=4 161 B13R2.163 CC1CNCC2=C(O1)C=CC=C2 Z2197092164 [0,0,0,1,0,0|3,0,0]=4 162 B13R2.163 CN1CCNC2=C(C1)C=CC=C2 Z1098230405 [0,0,0,1,0,0|3,0,0]=4 163 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,0,0|2,0,1]=4 164 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,0,0,1,0,0|2,0,0]=3 165 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,0,0,1,0,0|2,0,0]=3 166 B13R2.328 CC1CC2=C(C=CC=C2)C(=O)N1 Z1218937049 [0,0,0,1,0,0|1,0,1]=3 167 B13R2.328 CN1CC(CC2=C1C=CC=C2)N Z2310670953 [0,0,0,1,0,0|3,0,0]=4 168 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,0,0,1,0,0|2,0,0]=3 169 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Z513735694 [0,0,0,1,0,0|2,0,1]=4 170 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,0,0,0,1,0|2,0,1]=4 171 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,0,0,0,1,0|2,0,1]=4 172 B11R1.16 CC(N=C=S)C1=CC=CC=C1 Z57358351 [0,0,0,0,1,0|1,0,2]=4 173 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,0,0,0,1,0|2,0,1]=4 174 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,0,0,0,1,0|2,0,0]=3 176 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [0,0,0,0,1,0|1,0,0]=2 177 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [0,0,0,0,1,0|1,0,0]=2 178 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,0,0,0,1,0|2,0,1]=4 179 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,0,0,0,1,0|3,0,0]=4 180 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,0,0,0,1,0|2,0,0]=3 182 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,0,0,0,1,0|3,0,0]=4 183 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,0,0,0,1,0|3,0,0]=4 186 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,0,0,0,1,0|2,0,1]=4 187 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.30 CC(CCN)CC1=CC=CS1 Z5431685558 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.30 CCNC(=O)CC1=CSC=C1 Z32024705 [0,0,0,0,1,0|2,0,1]=4 191 B11R1.30 CCNC(C)CC1=CSC=C1 Z1737864891 [0,0,0,0,1,0|1,0,0]=2 192 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,0,0,0,0,1|2,0,0]=3 193 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,0,0,0,0,1|2,0,0]=3 194 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,0,0,0,0,1|2,0,1]=4 195 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,0,0,0,0,1|2,0,0]=3 196 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [0,0,0,0,0,1|1,0,1]=3 197 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,0,0,0,0,1|1,0,1]=3 198 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [0,0,0,0,0,1|2,0,1]=4 199 B13R1.42 CONC(=O)CCC1=CC=CC=C1 Z254325116 [0,0,0,0,0,1|2,0,1]=4 200 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|0,0,0]=2 203 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|0,0,0]=2 205 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 209 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|1,0,1]=4 222 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|0,0,0]=2 229 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|1,0,0]=3 231 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 241 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,0,1]=4 243 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,1,0,0,0,0|0,0,0]=2 252 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,1,0,0,0,0|0,0,0]=2 267 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.30 CCN/N=C(\N)/C1=CC=CC=C1 Z56770998 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [1,1,0,0,0,0|0,0,1]=3 293 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [1,1,0,0,0,0|1,0,1]=4 303 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,1,0,0,0,0|1,0,1]=4 315 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.50 CCC(C)OC1=NC(=CC=C1)N Z1416119478 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,1,0,0,0,0|0,0,0]=2 360 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|1,0,1]=4 370 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [1,1,0,0,0,0|1,0,1]=4 384 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [1,1,0,0,0,0|1,0,1]=4 386 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [1,1,0,0,0,0|0,0,0]=2 387 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [0,1,0,0,1,0|1,0,1]=4 388 B12R1.3 CCCC(NC)C1=NC=CC=C1 Z513799952 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [0,1,0,0,1,0|0,0,0]=2 390 B12R1.3 CCNC(CC)C1=CC=NC=C1 Z513800576 [0,1,0,0,1,0|1,0,0]=3 391 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [0,1,0,0,1,0|1,0,1]=4 392 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,1,0,0,1,0|2,0,0]=4 393 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [0,1,0,0,1,0|2,0,0]=4 394 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,1,0,0,1,0|2,0,0]=4 395 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [0,1,0,0,1,0|1,0,1]=4 396 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [0,1,0,0,1,0|1,0,1]=4 397 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,1,0,0,1,0|1,0,1]=4 398 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,1,0,0,1,0|0,0,0]=2 399 B12R1.17 CCNC(=O)C1=CC(=CC=C1)Cl Z32024415 [0,1,0,0,1,0|1,0,1]=4 400 B12R1.17 CCNC(=O)C1=CC(=CC=C1)N Z90120590 [0,1,0,0,1,0|1,0,1]=4 401 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O Z32024396 [0,1,0,0,1,0|1,0,1]=4 402 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [0,1,0,0,1,0|0,0,0]=2 403 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 Z336081086 [0,1,0,0,1,0|2,0,0]=4 404 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [0,1,0,0,1,0|2,0,0]=4 405 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [0,1,0,0,1,0|2,0,0]=4 406 B12R1.39 CCNC(C)(C)C1=CC=CC=C1 Z991114618 [0,1,0,0,1,0|0,0,0]=2 407 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [0,1,0,0,1,0|2,0,0]=4 408 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [0,1,0,0,1,0|2,0,0]=4 409 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,1,0,0,1,0|2,0,0]=4 412 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,1,0,0,1,0|1,0,1]=4 413 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,1,0,0,1,0|1,0,1]=4 414 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,1,0,0,1,0|1,0,1]=4 415 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [0,1,0,0,1,0|2,0,0]=4 416 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [0,1,0,0,1,0|2,0,0]=4 417 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Br Z30281214 [0,1,0,0,1,0|1,0,1]=4 418 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Cl Z32024315 [0,1,0,0,1,0|1,0,1]=4 419 B12R1.308 CCNC(=O)C1=C(C=CC=C1)N Z99599872 [0,1,0,0,1,0|1,0,1]=4 420 B12R1.308 CCNC(=O)C1=C(C=CC=C1)O Z252387016 [0,1,0,0,1,0|1,0,1]=4 421 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 Z54334538 [0,1,0,0,0,1|1,0,1]=4 422 B14R1.32 CCCC(C)NCC1=CC(=CC=C1)O Z86145734 [0,1,0,0,0,1|1,0,0]=3 423 B14R1.32 CCNC(=O)COC1=CC(=CC=C1)N Z239127548 [0,1,0,0,0,1|1,0,1]=4 424 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Br Z642328022 [0,1,0,0,0,1|1,0,1]=4 425 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Cl Z44603123 [0,1,0,0,0,1|1,0,1]=4 426 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 Z802903566 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.156 CCCNC(=O)CSC1=CC=CC=C1 Z19750894 [0,1,0,0,0,1|1,0,1]=4 428 B14R1.156 CCONC(=O)CCC1=CC=CC=C1 Z281499448 [0,1,0,0,0,1|1,0,1]=4 429 B14R1.156 COCCC(C)SCC1=NC=CC=C1 Z1607614350 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.156 NCCNC(=O)COC1=CC=CC=C1 Z381061494 [0,1,0,0,0,1|1,0,1]=4 431 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Z1741979610 [0,1,0,0,0,1|1,0,1]=4 432 B14R1.156 O=C(CCC1=CC=CC=C1)NCCO Z31725258 [0,1,0,0,0,1|1,0,1]=4 433 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 Z31725823 [0,1,0,0,0,1|1,0,1]=4 434 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,1,0,0,0,1|1,0,1]=4 435 B14R1.502 CCNC(=O)CNC1=CC=C(C=C1)Br Z104586806 [0,1,0,0,0,1|1,0,1]=4 436 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)Cl Z19727269 [0,1,0,0,0,1|1,0,1]=4 437 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)N Z239127440 [0,1,0,0,0,1|1,0,1]=4 438 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C Z44616623 [0,1,0,0,0,1|1,0,1]=4 439 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)Cl Z44585267 [0,1,0,0,0,1|1,0,1]=4 440 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)N Z600392026 [0,1,0,0,0,1|1,0,1]=4 441 B14R1.598 CCCC(C)NCC1=C(C=CC=C1)O Z334892844 [0,1,0,0,0,1|1,0,0]=3 442 B14R1.598 CCNC(=O)CCC1=C(C=CC=C1)Br Z605597262 [0,1,0,0,0,1|1,0,1]=4 443 B14R1.598 CCNC(=O)NCC1=C(C=CC=C1)C Z53120536 [0,1,0,0,0,1|1,0,1]=4 444 B14R1.756 CCC(=O)N(C)CCC1=CC=CC=C1 Z337942230 [0,1,0,0,0,1|2,0,0]=4 445 B14R1.756 COC(=O)C(C)NCC1=CC=CC=C1 Z727800518 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.6829 COCC(C)(C)NCC1=CC=CC=C1 Z1071279124 [0,1,0,0,0,1|2,0,0]=4 447 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Br Z193284454 [0,2,0,0,0,0|1,0,1]=4 448 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Cl Z245505846 [0,2,0,0,0,0|1,0,1]=4 449 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Br Z105904358 [0,2,0,0,0,0|2,0,0]=4 450 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Cl Z105905670 [0,2,0,0,0,0|2,0,0]=4 451 B14R1.33 COCCN(C)CC1=CC=C(C=C1)Br Z169163732 [0,2,0,0,0,0|2,0,0]=4 452 B14R1.33 COCCN(C)CC1=CC=C(C=C1)Cl Z169165024 [0,2,0,0,0,0|2,0,0]=4 453 B14R1.33 NC1=CC=C(C=C1)CC(=O)NCCO Z1160900184 [0,2,0,0,0,0|1,0,1]=4 454 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,2,0,0,0,0|1,0,1]=4 455 B14R1.72 CCNC(CC)CC1=CC=C(C=C1)C Z513805006 [0,2,0,0,0,0|0,0,0]=2 456 B14R1.134 CCC(=O)C(C)OC1=CC=C(C=C1)C Z1245537590 [0,2,0,0,0,0|2,0,0]=4 457 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,2,0,0,0,0|0,0,1]=3 458 B14R1.698 CC(C)NC(=O)CC1=CC=C(C=C1)N Z239124444 [0,2,0,0,0,0|1,0,1]=4 459 B14R1.698 CC1=CC=C(C=C1)CC(=O)NC(C)C Z57285765 [0,2,0,0,0,0|1,0,1]=4 460 B14R1.954 CNCC(C)CC1=CC=C(C=C1)OC Z992332056 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.6817 CCNS(=O)(=O)CC1=CC=C(C=C1)F Z241723254 [0,2,0,0,0,0|2,0,0]=4 462 B14R1.6817 COCC(C)(O)CC1=CC=C(C=C1)Cl Z992444188 [0,2,0,0,0,0|2,0,0]=4 463 B14R1.6823 CCCN(C)CC1=C(C=C(C=C1)F)Cl Z1652621256 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F Z1437035606 [0,2,0,0,0,0|0,0,1]=3 465 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)N Z992264158 [0,2,0,0,0,0|1,0,1]=4 466 B14R1.34 COCCN(C)CC1=CC(=CC=C1)Cl Z169197340 [0,2,0,0,0,0|2,0,0]=4 467 B14R1.34 NCCNC(=O)CC1=CC(=CC=C1)F Z285198030 [0,2,0,0,0,0|1,0,1]=4 468 B14R1.135 CCN(C)C(=O)CC1=CC(=CC=C1)Br Z996001650 [0,2,0,0,0,0|1,0,1]=4 469 B14R1.5978 CC(=O)NC(C)CC1=CC(=CC=C1)Br Z844206202 [0,2,0,0,0,0|0,0,1]=3 470 B14R1.5978 CC(C)NC(=O)CC1=CC(=CC=C1)F Z31386551 [0,2,0,0,0,0|1,0,1]=4 471 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,2,0,0,0,0|0,0,1]=3 472 B14R1.423 CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [0,2,0,0,0,0|1,0,1]=4 473 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,2,0,0,0,0|1,0,1]=4 474 B14R1.467 CCN(CCOC)CC1=CC=CC=C1 Z168921324 [0,2,0,0,0,0|2,0,0]=4 475 B14R1.743 CN(CC1=CC=CC=C1)C[C@H](O)CO Z1572042228 [0,2,0,0,0,0|2,0,0]=4 476 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [0,2,0,0,0,0|0,0,1]=3 477 B14R1.946 CCCNC(=O)CC1=C(C=CC=C1)C Z51751528 [0,2,0,0,0,0|1,0,1]=4 478 B14R1.946 CCONC(=O)CC1=C(C=CC=C1)C Z193287662 [0,2,0,0,0,0|1,0,1]=4 479 B14R1.946 CCONC(=O)CC1=C(C=CC=C1)Cl Z247486018 [0,2,0,0,0,0|1,0,1]=4 480 B14R1.946 CN(CCCO)CC1=C(C=CC=C1)Br Z105237186 [0,2,0,0,0,0|2,0,0]=4 481 B14R1.946 COCCN(C)CC1=C(C=CC=C1)Br Z169247592 [0,2,0,0,0,0|2,0,0]=4 482 B14R1.946 COCCN(C)CC1=C(C=CC=C1)Cl Z169166316 [0,2,0,0,0,0|2,0,0]=4 483 B14R1.4528 NCCNS(=O)(=O)CC1=CC=CC=C1 Z285224534 [0,2,0,0,0,0|2,0,0]=4 484 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O Z2719291639 [0,2,0,0,0,0|1,0,1]=4 485 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 Z854201840 [0,2,0,0,0,0|0,0,0]=2 486 B14R1.85 COC(=O)C(C)C(N)C1=CC=CC=C1 Z1324054896 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.417 CC(C)NC(=O)C(Cl)C1=CC=CC=C1 Z277535894 [0,2,0,0,0,0|1,0,1]=4 488 B14R1.494 CCNC(COC)CC1=CC=CC=C1 Z825742464 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.549 CCC(CC1=CC=CC=C1)NC(=O)N Z1088508442 [0,2,0,0,0,0|1,0,1]=4 490 B14R1.980 CCNC(CC1=CC=CC=C1)C(=O)O Z446012696 [0,2,0,0,0,0|0,0,1]=3 491 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC Z3045559913 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.1031 COC(=O)C(CO)CC1=CC=CC=C1 Z356300486 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.425 CC(Cl)C(=O)N(C)CC1=CC=CC=C1 Z56922068 [0,2,0,0,0,0|2,0,0]=4 494 B14R1.337 CC(C)NC(=O)CC1=C(C=CC=C1)Br Z1127695826 [0,2,0,0,0,0|1,0,1]=4 495 B14R1.337 CC1=C(C=CC=C1)CC(=O)NC(C)C Z51810956 [0,2,0,0,0,0|1,0,1]=4 496 B14R1.19171 CCNC(=O)CC1=C(C=CC=C1F)Cl Z32024597 [0,2,0,0,0,0|1,0,1]=4 497 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [1,0,0,1,0,0|2,0,0]=4 498 B12R2.1 CCN1C=NC2=C1C=CC=C2 Z53833304 [1,0,0,1,0,0|1,0,1]=4 499 B12R2.1 CNC1CCC2=C1C=CC=C2 Z239628830 [1,0,0,1,0,0|2,0,0]=4 500 B12R2.1 NCC1CCC2=C1C=CC=C2 Z415654944 [1,0,0,1,0,0|2,0,0]=4 501 B12R2.1 O=NN1CCC2=C1C=CC=C2 Z1198156346 [1,0,0,1,0,0|2,0,0]=4 502 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [1,0,0,1,0,0|2,0,0]=4 503 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [1,0,0,1,0,0|1,0,0]=3 504 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [1,0,0,1,0,0|0,0,2]=4 505 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|2,0,0]=4 506 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,1,0,0|0,0,0]=2 507 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [1,0,0,1,0,0|1,0,0]=3 508 B12R2.2 C1=CN=C(C=N1)C2CCNC2 Z2310698899 [1,0,0,1,0,0|2,0,0]=4 509 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [1,0,0,1,0,0|2,0,0]=4 510 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|2,0,0]=4 511 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|2,0,0]=4 512 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|2,0,0]=4 514 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [1,0,0,1,0,0|2,0,0]=4 515 B12R2.41 C1=CC2=C(C=C1)CCNCC2 Z368542280 [1,0,0,1,0,0|0,0,0]=2 516 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [1,0,0,1,0,0|2,0,0]=4 517 B12R2.41 C1=CC2=C(C=C1)NCCCC2 Z374049420 [1,0,0,1,0,0|2,0,0]=4 518 B12R2.41 C1=NC=NC2=C1CCNCC2 Z1198181671 [1,0,0,1,0,0|2,0,0]=4 519 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [1,0,0,1,0,0|2,0,0]=4 520 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,1,0,0|2,0,0]=4 521 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|2,0,0]=4 522 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [1,0,0,1,0,0|1,0,1]=4 523 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,1,0,0|2,0,0]=4 524 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [1,0,0,1,0,0|2,0,0]=4 525 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 Z431957604 [1,0,0,1,0,0|2,0,0]=4 526 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|0,0,0]=2 527 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [1,0,0,1,0,0|2,0,0]=4 528 B12R2.18 CC1=NC2=C(N1C)C=CC=C2 Z53833319 [1,0,0,1,0,0|1,0,1]=4 529 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [1,0,0,1,0,0|1,0,0]=3 530 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [1,0,0,1,0,0|1,0,0]=3 531 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|1,0,1]=4 532 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|1,0,0]=3 533 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [1,0,0,1,0,0|2,0,0]=4 534 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [1,0,0,1,0,0|1,0,1]=4 535 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|1,0,0]=3 536 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [1,0,0,1,0,0|1,0,0]=3 537 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [1,0,0,1,0,0|2,0,0]=4 538 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [1,0,0,1,0,0|2,0,0]=4 539 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [1,0,0,1,0,0|2,0,0]=4 540 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [1,0,0,1,0,0|2,0,0]=4 541 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [1,0,0,1,0,0|2,0,0]=4 542 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [1,0,0,1,0,0|2,0,0]=4 543 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [1,0,0,1,0,0|2,0,0]=4 544 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [1,0,0,1,0,0|2,0,0]=4 545 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [1,0,0,1,0,0|0,0,0]=2 546 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [1,0,0,1,0,0|1,0,0]=3 547 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [1,0,0,1,0,0|1,0,0]=3 549 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [1,0,0,1,0,0|2,0,0]=4 550 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [1,0,0,1,0,0|2,0,0]=4 551 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [1,0,0,1,0,0|2,0,0]=4 552 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [1,0,0,1,0,0|2,0,0]=4 553 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [1,0,0,1,0,0|2,0,0]=4 554 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [1,0,0,1,0,0|1,0,0]=3 555 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [1,0,0,1,0,0|0,0,0]=2 556 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [1,0,0,1,0,0|1,0,0]=3 557 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [1,0,0,1,0,0|2,0,0]=4 558 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [1,0,0,1,0,0|2,0,0]=4 559 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [1,0,0,1,0,0|1,0,1]=4 560 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [1,0,0,1,0,0|1,0,1]=4 561 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [1,0,0,1,0,0|1,0,0]=3 562 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [1,0,0,1,0,0|2,0,0]=4 563 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [1,0,0,1,0,0|2,0,0]=4 564 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [1,0,0,1,0,0|1,0,1]=4 565 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [1,0,0,1,0,0|1,0,0]=3 566 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [1,0,0,1,0,0|2,0,0]=4 567 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|1,0,1]=4 568 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|1,0,0]=3 569 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [1,0,0,1,0,0|2,0,0]=4 570 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|1,0,0]=3 571 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [1,0,0,1,0,0|1,0,0]=3 572 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,0,0,1,1,0|2,0,0]=4 573 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,1,1,0|1,0,1]=4 574 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,1,1,0|2,0,0]=4 575 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,1,1,0|2,0,0]=4 576 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [0,0,0,1,1,0|2,0,0]=4 577 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [0,0,0,1,1,0|2,0,0]=4 578 B12R2.235 CC1(CC1N)C2=CC=CC=C2 Z1259335890 [0,0,0,1,1,0|2,0,0]=4 579 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [0,0,0,1,1,0|2,0,0]=4 580 B12R2.2028 C[C@@H]1N[C@H](C2=C1C=CC=C2)C Z3675010941 [0,0,0,1,1,0|0,0,0]=2 581 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,0,0,1,1,0|2,0,0]=4 582 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [0,0,0,1,1,0|2,0,0]=4 583 B12R2.98 C1=CN(C=N1)C[C@H]2CCCN2 Z1216830027 [0,0,0,1,1,0|2,0,0]=4 584 B12R2.98 C1=CN(N=C1)CC2CCCN2 Z839512906 [0,0,0,1,1,0|2,0,0]=4 585 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,1,0,1|1,0,0]=3 586 B14R2.21 CC1CN(CCN1)C2=CC=CC=C2 Z1695728987 [0,0,0,1,0,1|0,0,0]=2 587 B14R2.21 CC1CN(CCN1)C2=CC=NC=C2 Z991506704 [0,0,0,1,0,1|1,0,0]=3 588 B14R2.21 CC1CNCC(C1)C2=CC=CC=C2 Z1492427258 [0,0,0,1,0,1|2,0,0]=4 589 B14R2.21 CC1CNCC(O1)C2=CC=CC=C2 Z405744536 [0,0,0,1,0,1|2,0,0]=4 590 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,1,0,1|2,0,0]=4 591 B14R2.21 NC1CCCN(C1)C2=CC=CC=C2 Z839143284 [0,0,0,1,0,1|2,0,0]=4 592 B14R2.30 CC1=NCCN1CC2=CC=CC=C2 Z2732222644 [0,0,0,1,0,1|0,0,2]=4 593 B14R2.30 CC1NCCC1CC2=CC=CC=C2 Z979422196 [0,0,0,1,0,1|0,0,0]=2 594 B14R2.30 NC1CCCC1CC2=CC=CC=C2 Z813018506 [0,0,0,1,0,1|2,0,0]=4 595 B14R2.30 NC1CCCC1OC2=CC=CC=C2 Z1267773743 [0,0,0,1,0,1|2,0,0]=4 596 B14R2.30 N[C@@H]1CCC[C@@H]1OC2=CC=CC=C2 Z4745339387 [0,0,0,1,0,1|2,0,0]=4 597 B14R2.30 O=C1NCCC1CC2=CC=CC=C2 Z1255435851 [0,0,0,1,0,1|1,0,1]=4 598 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 Z1201622519 [0,0,0,1,0,1|1,0,1]=4 599 B14R2.30 OC1CCCC1CC2=CC=CC=C2 Z854048260 [0,0,0,1,0,1|2,0,0]=4 600 B14R2.52 CC1CN(C2=C(C=CC=C2)CN1)C Z1251356295 [0,0,0,1,0,1|2,0,0]=4 601 B14R2.52 CC1CNC2=C(C=CC=C2)N(C1)C Z558512612 [0,0,0,1,0,1|2,0,0]=4 602 B14R2.52 CC1CSC2=C(C=CC=C2)C(=O)N1 Z1509218261 [0,0,0,1,0,1|1,0,1]=4 603 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 Z1255387364 [0,0,0,1,0,1|1,0,1]=4 604 B14R2.101 C1=CC(=CC=N1)NCC2CCCO2 Z359301578 [0,0,0,1,0,1|2,0,0]=4 605 B14R2.101 C1=CC(=CC=N1)OCC2CCCO2 Z1332843435 [0,0,0,1,0,1|2,0,0]=4 606 B14R2.101 C1=CC(=CN=C1)C/N=C\2/CCCN2 Z55927776 [0,0,0,1,0,1|1,0,1]=4 607 B14R2.101 C1=CC(=CN=C1)CNC2CCCC2 Z927583008 [0,0,0,1,0,1|2,0,0]=4 608 B14R2.101 C1=CC=C(C=C1)CCC2CCCN2 Z281773822 [0,0,0,1,0,1|0,0,0]=2 609 B14R2.101 C1=CC=C(C=C1)CCC2CCNC2 Z1201621459 [0,0,0,1,0,1|2,0,0]=4 610 B14R2.101 C1=CC=C(C=C1)CNC2=NCCN2 Z1089994872 [0,0,0,1,0,1|1,0,1]=4 611 B14R2.101 C1=CC=C(C=C1)CNC2CCCC2 Z90661352 [0,0,0,1,0,1|1,0,0]=3 612 B14R2.101 C1=CC=C(C=C1)CNC2CCNC2 Z1255502479 [0,0,0,1,0,1|2,0,0]=4 613 B14R2.101 C1=CC=C(C=C1)CNC2CCOC2 Z1124552713 [0,0,0,1,0,1|2,0,0]=4 614 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 Z89241755 [0,0,0,1,0,1|1,0,1]=4 615 B14R2.101 C1=CC=C(C=C1)OCC2CCCN2 Z285198378 [0,0,0,1,0,1|0,0,0]=2 616 B14R2.101 C1=CC=C(C=C1)OCC2CCNC2 Z1626921344 [0,0,0,1,0,1|2,0,0]=4 617 B14R2.101 C1=CC=C(C=C1)OC[C@@H]2CCCN2 Z2235330295 [0,0,0,1,0,1|0,0,0]=2 618 B14R2.112 CCCC1CCC2=C(N1)C=CC=C2 Z1251275890 [0,0,0,1,0,1|2,0,0]=4 619 B14R2.112 CNCC1COC2=C(C1)C=CC=C2 Z5361558742 [0,0,0,1,0,1|2,0,0]=4 620 B14R2.112 NCCC1CCC2=C(C1)C=CC=C2 Z3444473353 [0,0,0,1,0,1|2,0,0]=4 621 B14R2.112 OCCC1CC2=C(C=CC=C2)CN1 Z1262573037 [0,0,0,1,0,1|2,0,0]=4 622 B14R2.280 O=C1CCC2=C(C=CC=C2)CCN1 Z1255361336 [0,0,0,1,0,1|1,0,1]=4 623 B14R2.436 NC1CC(C1)COC2=CC=CC=C2 Z3623440309 [0,0,0,1,0,1|2,0,0]=4 624 B14R2.436 NC1CC(C1)NCC2=CC=CC=C2 Z1413694081 [0,0,0,1,0,1|2,0,0]=4 625 B14R2.436 NC1CC(C1)OCC2=CC=CC=C2 Z1695797788 [0,0,0,1,0,1|2,0,0]=4 626 B14R2.436 N[C@H]1C[C@@H](C1)COC2=CC=CC=C2 Z3677405147 [0,0,0,1,0,1|2,0,0]=4 627 B14R2.436 N[C@H]1C[C@H](C1)COC2=CC=CC=C2 Z3616294957 [0,0,0,1,0,1|2,0,0]=4 628 B14R2.598 CC1CC(C(N1)C)C2=CC=CC=C2 Z1259273392 [0,0,0,1,0,1|0,0,0]=2 629 B14R2.598 CC1CC(CN1C2=CC=CC=C2)N Z1266827579 [0,0,0,1,0,1|2,0,0]=4 630 B14R2.2899 CC(NCC1=CC=CC=C1)C2CC2 Z56910424 [0,0,0,1,0,1|1,0,0]=3 631 B14R2.33858 CCNC(=O)C1CC2=C1C=CC=C2 Z1250591407 [0,0,0,1,0,1|1,0,1]=4 632 B14R2.43 CNC[C@@H]1C[C@H]1C2=CC=C(C=C2)C Z4493918600 [0,1,0,1,0,0|2,0,0]=4 633 B14R2.72 BrC1=CC=C(C=C1)CC2CCCN2 Z281773886 [0,1,0,1,0,0|0,0,0]=2 634 B14R2.72 BrC1=CC=C(C=C1)CC2CCNC2 Z2213893385 [0,1,0,1,0,0|2,0,0]=4 635 B14R2.72 BrC1=CC=C(C=C1)CN2CCCC2 Z54750392 [0,1,0,1,0,0|2,0,0]=4 636 B14R2.72 CC1=CC=C(C=C1)/N=C\2/CCCN2 Z55927692 [0,1,0,1,0,0|1,0,1]=4 637 B14R2.72 CC1=CC=C(C=C1)CC2CCCN2 Z382710498 [0,1,0,1,0,0|0,0,0]=2 638 B14R2.72 CC1=CC=C(C=C1)NC2CCCC2 Z4307810361 [0,1,0,1,0,0|2,0,0]=4 639 B14R2.72 FC1=CC=C(C=C1)/N=C\2/CCCN2 Z55927666 [0,1,0,1,0,0|1,0,1]=4 640 B14R2.72 FC1=CC=C(C=C1)CC2CCCN2 Z281773862 [0,1,0,1,0,0|0,0,0]=2 641 B14R2.72 FC1=CC=C(C=C1)CC2CCNC2 Z1198169837 [0,1,0,1,0,0|2,0,0]=4 642 B14R2.72 FC1=CC=C(C=C1)NC2CCCC2 Z334940476 [0,1,0,1,0,0|2,0,0]=4 643 B14R2.72 IC1=CC=C(C=C1)OC2CCCC2 Z816021684 [0,1,0,1,0,0|2,0,0]=4 644 B14R2.72 NC1=CC=C(C=C1)OC2CCCC2 Z317046622 [0,1,0,1,0,0|2,0,0]=4 645 B14R2.72 NC1=CC=C(C=C1)SC2CCCC2 Z351482852 [0,1,0,1,0,0|2,0,0]=4 646 B14R2.72 OC1=CC=C(C=C1)CC2CCNC2 Z4186254010 [0,1,0,1,0,0|2,0,0]=4 647 B14R2.72 OC1=CC=C(C=C1)OC2CCCC2 Z381414686 [0,1,0,1,0,0|2,0,0]=4 648 B14R2.106 CCCN1CC2=C(C1)C=C(C=C2)N Z406357838 [0,1,0,1,0,0|2,0,0]=4 649 B14R2.926 CC1=CC=C(C=C1)C2CCCC2N Z993058930 [0,1,0,1,0,0|2,0,0]=4 650 B14R2.926 CC1=CC=C(C=C1)C2CCCC2O Z992949426 [0,1,0,1,0,0|2,0,0]=4 651 B14R2.926 CN1CCCC1C2=CC=C(C=C2)Br Z646267806 [0,1,0,1,0,0|2,0,0]=4 652 B14R2.926 NC1CCCC1C2=CC=C(C=C2)Br Z3356207026 [0,1,0,1,0,0|2,0,0]=4 653 B14R2.926 NC1CCCC1C2=CC=C(C=C2)Cl Z1696290149 [0,1,0,1,0,0|2,0,0]=4 654 B14R2.926 N[C@@H]1CCC[C@H]1C2=CC=C(C=C2)F Z2289761611 [0,1,0,1,0,0|2,0,0]=4 655 B14R2.926 O=C1NCCC1C2=CC=C(C=C2)Cl Z1251353018 [0,1,0,1,0,0|1,0,1]=4 656 B14R2.926 OC1CCCC1C2=CC=C(C=C2)F Z992949410 [0,1,0,1,0,0|2,0,0]=4 657 B14R2.926 O[C@@H]1CCC[C@H]1C2=CC=C(C=C2)Cl Z2235790511 [0,1,0,1,0,0|2,0,0]=4 658 B14R2.949 CC1=CC=C(C=C1)CC(O)C2CC2 Z513751600 [0,1,0,1,0,0|2,0,0]=4 659 B14R2.949 OC(CC1=CC=C(C=C1)Br)C2CC2 Z513751604 [0,1,0,1,0,0|2,0,0]=4 660 B14R2.10622 CC1=CC=C(C=C1)CC2(CCC2)N Z5086662733 [0,1,0,1,0,0|2,0,0]=4 661 B14R2.10622 NC1(CCC1)CC2=CC=C(C=C2)Cl Z2182115495 [0,1,0,1,0,0|2,0,0]=4 662 B14R2.111 CCCN1CC2=C(C1)C(=CC=C2)N Z406357842 [0,1,0,1,0,0|2,0,0]=4 663 B14R2.269 CC1CCNC1C2=CC(=CC=C2)F Z1245636037 [0,1,0,1,0,0|2,0,0]=4 664 B14R2.269 O=C1NCCC1C2=CC=CC(=C2)Br Z1269162695 [0,1,0,1,0,0|1,0,1]=4 665 B14R2.269 OC1CCCC1C2=CC(=CC=C2)Cl Z992949496 [0,1,0,1,0,0|2,0,0]=4 666 B14R2.380 O=C1CC2=C(C=CC(=C2)O)CCN1 Z1509152364 [0,1,0,1,0,0|1,0,1]=4 667 B14R2.716 BrC1=CC(=CC=C1)CC2CCCN2 Z2327402589 [0,1,0,1,0,0|0,0,0]=2 668 B14R2.716 BrC1=CC(=CC=C1)CN2CCCC2 Z2380439453 [0,1,0,1,0,0|2,0,0]=4 669 B14R2.716 ClC1=CC(=CC=C1)/N=C/2\CCCN2 Z56976780 [0,1,0,1,0,0|1,0,1]=4 670 B14R2.716 ClC1=CC(=CC=C1)CC2CCNC2 Z1255391385 [0,1,0,1,0,0|2,0,0]=4 671 B14R2.716 FC1=CC(=CC=C1)/N=C/2\CCCN2 Z56971424 [0,1,0,1,0,0|1,0,1]=4 672 B14R2.716 FC1=CC(=CC=C1)CC2CCCN2 Z285198426 [0,1,0,1,0,0|0,0,0]=2 673 B14R2.716 FC1=CC(=CC=C1)NC2CCCC2 Z334936850 [0,1,0,1,0,0|2,0,0]=4 674 B14R2.716 IC1=CC(=CC=C1)CC2CCNC2 Z2234185699 [0,1,0,1,0,0|2,0,0]=4 675 B14R2.716 NC1=CC(=CC=C1)CN2CCCC2 Z285162764 [0,1,0,1,0,0|2,0,0]=4 676 B14R2.716 NC1=CC(=CC=C1)NC2CCCC2 Z376447536 [0,1,0,1,0,0|2,0,0]=4 677 B14R2.716 NC1=CC(=CC=C1)OC2CCCC2 Z317046594 [0,1,0,1,0,0|2,0,0]=4 678 B14R2.716 OC1=CC(=CC=C1)CC2CCNC2 Z4184457636 [0,1,0,1,0,0|2,0,0]=4 679 B14R2.716 OC1=CC(=CC=C1)OC2CCCC2 Z381415518 [0,1,0,1,0,0|2,0,0]=4 680 B14R2.4217 CCN1C(=NC2=C1C=CC(=C2)O)C Z56767354 [0,1,0,1,0,0|1,0,1]=4 681 B14R2.4217 CCN1C(=O)CC2=C1C=CC(=C2)N Z1266823249 [0,1,0,1,0,0|1,0,1]=4 682 B14R2.9059 CC1=CC(=CC=C1)CC(N)C2CC2 Z1270207986 [0,1,0,1,0,0|2,0,0]=4 683 B14R2.29365 CC1CC2=C(C=CC(=C2)F)C(N1)C Z1695906756 [0,1,0,1,0,0|0,0,0]=2 684 B14R2.29365 CC1CC2=C(C=CC(=C2)O)C(N1)C Z3670378254 [0,1,0,1,0,0|0,0,0]=2 685 B14R2.6 C1=CC(=CC=N1)CC2COCCN2 Z5184111611 [0,1,0,1,0,0|1,0,0]=3 686 B14R2.6 C1=CC(=CN=C1)CC2CCNCC2 Z1209979984 [0,1,0,1,0,0|2,0,0]=4 687 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 Z336080118 [0,1,0,1,0,0|0,0,0]=2 688 B14R2.6 C1=CC=C(C=C1)CC2CCCNC2 Z969110994 [0,1,0,1,0,0|0,0,0]=2 689 B14R2.6 C1=CC=C(C=C1)CC2CNCCO2 Z1198184698 [0,1,0,1,0,0|1,0,0]=3 690 B14R2.6 C1=CC=C(C=C1)CC2CNCCS2 Z1258863693 [0,1,0,1,0,0|1,0,0]=3 691 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 Z1346385428 [0,1,0,1,0,0|0,0,0]=2 692 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCO2 Z1255397150 [0,1,0,1,0,0|1,0,0]=3 693 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCO2 Z1255401018 [0,1,0,1,0,0|1,0,0]=3 694 B14R2.6 C1=CC=C(C=C1)NC2CCCCC2 Z56347230 [0,1,0,1,0,0|2,0,0]=4 695 B14R2.6 C1=CC=C(C=C1)NC2CCCNC2 Z838921656 [0,1,0,1,0,0|1,0,0]=3 696 B14R2.6 C1=CC=C(C=C1)NC2CCNCC2 Z600428504 [0,1,0,1,0,0|2,0,0]=4 697 B14R2.6 C1=CC=C(C=C1)NC2CCOCC2 Z3244922002 [0,1,0,1,0,0|2,0,0]=4 698 B14R2.6 C1=CC=C(C=C1)OC2CCCNC2 Z839583154 [0,1,0,1,0,0|1,0,0]=3 699 B14R2.6 C1=CC=C(C=C1)OC2CCNCC2 Z425387708 [0,1,0,1,0,0|2,0,0]=4 700 B14R2.6 C1=CC=C(C=C1)O[C@@H]2CCCNC2 Z2327513729 [0,1,0,1,0,0|1,0,0]=3 701 B14R2.6 C1=CN=C(C=C1)CC2CCNCC2 Z295462532 [0,1,0,1,0,0|2,0,0]=4 702 B14R2.6 C1=CN=C(C=C1)CC2COCCN2 Z4810311699 [0,1,0,1,0,0|1,0,0]=3 703 B14R2.6 C1=CN=C(C=C1)OC2CCCNC2 Z3244870866 [0,1,0,1,0,0|2,0,0]=4 704 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,1,0,1,0,0|1,0,1]=4 705 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [0,1,0,1,0,0|1,0,0]=3 706 B14R2.19 NC1CCN(C1)CC2=CC=CC=C2 Z104493644 [0,1,0,1,0,0|2,0,0]=4 707 B14R2.19 N[C@H]1CCN(C1)CC2=CC=CC=C2 Z1460105607 [0,1,0,1,0,0|2,0,0]=4 708 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,1,0,1,0,0|1,0,1]=4 709 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,1,0,1,0,0|0,0,1]=3 710 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,1,0,1,0,0|1,0,1]=4 711 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,1,0,1,0,0|1,0,1]=4 712 B14R2.19 OC1CCN(C1)CC2=CC=CC=C2 Z370712446 [0,1,0,1,0,0|2,0,0]=4 713 B14R2.19 O[C@@H]1CCN(C1)CC2=CC=CC=C2 Z817098778 [0,1,0,1,0,0|2,0,0]=4 714 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [0,1,0,1,0,0|1,0,0]=3 715 B14R2.24 CC1CNCCC1C2=CC=CC=C2 Z1259303197 [0,1,0,1,0,0|0,0,0]=2 716 B14R2.24 CC1CNCCN1C2=CC=CC=C2 Z1198147855 [0,1,0,1,0,0|1,0,0]=3 717 B14R2.24 CC1SCCNC1C2=CC=CC=C2 Z1218937147 [0,1,0,1,0,0|1,0,0]=3 718 B14R2.24 CN1CCNCC1C2=CC=CC=C2 Z3234812034 [0,1,0,1,0,0|2,0,0]=4 719 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [0,1,0,1,0,0|1,0,0]=3 720 B14R2.24 F[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z5551895336 [0,1,0,1,0,0|1,0,0]=3 721 B14R2.24 NC1CCNCC1C2=CC=CC=C2 Z4510822484 [0,1,0,1,0,0|2,0,0]=4 722 B14R2.24 N[C@@H]1COCC[C@@H]1C2=CC=CC=C2 Z4463176366 [0,1,0,1,0,0|2,0,0]=4 723 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 Z926909642 [0,1,0,1,0,0|1,0,1]=4 724 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 Z337709354 [0,1,0,1,0,0|1,0,1]=4 725 B14R2.24 O[C@@H]1CNCC[C@@H]1C2=CC=CC=C2 Z5178963486 [0,1,0,1,0,0|1,0,0]=3 726 B14R2.24 O[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z2568756561 [0,1,0,1,0,0|1,0,0]=3 727 B14R2.67 CCCNC1CC2=C(C1)C=CC=C2 Z3013892273 [0,1,0,1,0,0|0,0,0]=2 728 B14R2.67 NCCCN1CC2=C(C1)C=CC=C2 Z2724335000 [0,1,0,1,0,0|2,0,0]=4 729 B14R2.90 NCC1CC(C1)CC2=CC=CC=C2 Z5145052097 [0,1,0,1,0,0|1,0,0]=3 730 B14R2.277 CN1CC[C@H]([C@@H]1C2=CC=CC=C2)N Z3072361928 [0,1,0,1,0,0|2,0,0]=4 731 B14R2.287 CC1CCN(C2=C(N1)C=CC=C2)C Z1258763868 [0,1,0,1,0,0|2,0,0]=4 732 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 Z1704732682 [0,1,0,1,0,0|0,0,0]=2 733 B14R2.411 NC1(CCCC1)CC2=CC=CC=C2 Z1655103589 [0,1,0,1,0,0|1,0,0]=3 734 B14R2.411 OC1(CCCC1)CC2=CC=CC=C2 Z449370862 [0,1,0,1,0,0|1,0,0]=3 735 B14R2.411 OC1(CCNC1)CC2=CC=CC=C2 Z3006329777 [0,1,0,1,0,0|1,0,0]=3 736 B14R2.517 CC1=NC2=C(N1CCN)C=CC=C2 Z94602045 [0,1,0,1,0,0|1,0,1]=4 737 B14R2.517 CC1=NC2=C(N1CCO)C=CC=C2 Z56989568 [0,1,0,1,0,0|1,0,1]=4 738 B14R2.517 NCCN1C(=O)CC2=C1C=CC=C2 Z4447090207 [0,1,0,1,0,0|1,0,1]=4 739 B14R2.9589 CN(CC1=CC=CC=C1)C2CNC2 Z2037273373 [0,1,0,1,0,0|2,0,0]=4 740 B14R2.9593 CN(CC1=CC=CC=C1)CC2CO2 Z285213554 [0,1,0,1,0,0|2,0,0]=4 741 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 Z451452470 [0,1,0,1,0,0|1,0,0]=3 742 B14R2.114 NC(C1=CN=CC=C1)C2CCCO2 Z4990165979 [0,1,0,1,0,0|2,0,0]=4 743 B14R2.114 NC(C1=NC=CC=C1)C2CCCC2 Z513795930 [0,1,0,1,0,0|2,0,0]=4 744 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 Z385417086 [0,1,0,1,0,0|1,0,1]=4 745 B14R2.114 O=C(C1=CC=CC=C1)C2CCCN2 Z3013892609 [0,1,0,1,0,0|0,0,1]=3 746 B14R2.114 OC(C1=CC=CC=C1)C2CCCC2 Z513750534 [0,1,0,1,0,0|1,0,0]=3 747 B14R2.114 OC(C1=CC=CC=C1)C2CCCN2 Z1192039732 [0,1,0,1,0,0|0,0,0]=2 748 B14R2.317 CC1(CCNC1=O)C2=CC=CC=C2 Z1509156364 [0,1,0,1,0,0|1,0,1]=4 749 B14R2.14 CNC1CCCC1C2=CC=CC=C2 Z993062846 [0,1,0,1,0,0|1,0,0]=3 750 B14R2.14 CO[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4283398957 [0,1,0,1,0,0|2,0,0]=4 751 B14R2.14 NCC1CCCC1C2=CC=CC=C2 Z2235409216 [0,1,0,1,0,0|1,0,0]=3 752 B14R2.14 NC[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z1860991496 [0,1,0,1,0,0|2,0,0]=4 753 B14R2.14 OC[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z3626609917 [0,1,0,1,0,0|2,0,0]=4 754 B14R2.143 NCC1CCCC2=C(C1)C=CC=C2 Z3513970347 [0,1,0,1,0,0|1,0,0]=3 755 B14R2.833 CCN(CC1=CC=CC=C1)C2CC2 Z287243982 [0,1,0,1,0,0|2,0,0]=4 756 B14R2.833 NCC(CC1=CC=CC=C1)C2CC2 Z3023501987 [0,1,0,1,0,0|1,0,0]=3 757 B14R2.1019 CCC1CC2=C(C=CC=C2)C(=O)N1 Z1218937099 [0,1,0,1,0,0|1,0,1]=4 758 B14R2.1019 CN1CC(CC2=C1C=CC=C2)CN Z359510196 [0,1,0,1,0,0|2,0,0]=4 759 B14R2.1129 CCN1C(=NC2=C1C=CC=C2)CN Z90120420 [0,1,0,1,0,0|1,0,1]=4 760 B14R2.1129 CCN1C(=NC2=C1C=CC=C2)CO Z57299967 [0,1,0,1,0,0|1,0,1]=4 761 B14R2.1129 CN[C@@H]1CC2=C([C@@H]1OC)C=CC=C2 Z4660887255 [0,1,0,1,0,0|2,0,0]=4 762 B14R2.1129 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1OC Z4743863377 [0,1,0,1,0,0|2,0,0]=4 763 B14R2.2972 NCC1(CCC1)CC2=CC=CC=C2 Z1407672948 [0,1,0,1,0,0|1,0,0]=3 764 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2327124590 [0,1,0,1,0,0|2,0,0]=4 765 B14R2.972 CCC(N)C1CC2=C(C1)C=CC=C2 Z1259322852 [0,1,0,1,0,0|1,0,0]=3 766 B14R2.1128 CCN1CC2=C(C=CC=C2)CC1C Z4745332426 [0,1,0,1,0,0|0,0,0]=2 767 B14R2.431 NC1(CC(C1)O)CC2=CC=CC=C2 Z5231797795 [0,1,0,1,0,0|2,0,0]=4 768 B14R2.642 CC(=O)N1C2=C(C=CC=C2)CC1C Z27690969 [0,1,0,1,0,0|0,0,1]=3 769 B14R2.768 NC(=S)NC1CC2=C(C1)C=CC=C2 Z1262566561 [0,1,0,1,0,0|1,0,1]=4 770 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 Z826117806 [0,1,0,1,0,0|0,0,1]=3 771 B14R2.4874 CC1(CC1(N)CC2=CC=CC=C2)C Z3490562131 [0,1,0,1,0,0|2,0,0]=4 772 B14R2.4893 CC1(CN(C1)CC2=CC=CC=C2)C Z1486011832 [0,1,0,1,0,0|2,0,0]=4 773 B14R2.8189 CC1(CC(CC2=C1C=CC=C2)N)C Z4511731751 [0,1,0,1,0,0|2,0,0]=4 774 B14R2.8189 CC1CC(C2=C(N1)C=CC=C2)(C)C Z1262596625 [0,1,0,1,0,0|2,0,0]=4 775 B14R2.50 CC1=C(C=CC=C1)CC2CCCN2 Z285198452 [0,1,0,1,0,0|0,0,0]=2 776 B14R2.50 ClC1=C(C=CC=C1)CC2CCCN2 Z802665944 [0,1,0,1,0,0|0,0,0]=2 777 B14R2.50 FC1=C(C=CC=C1)CN2CCCC2 Z4924244858 [0,1,0,1,0,0|2,0,0]=4 778 B14R2.50 FC1=C(C=CC=C1)NC2CCCC2 Z334942556 [0,1,0,1,0,0|2,0,0]=4 779 B14R2.50 IC1=C(C=CC=C1)/N=C/2\CCCN2 Z55927720 [0,1,0,1,0,0|1,0,1]=4 780 B14R2.50 IC1=C(C=CC=C1)NC2CCCC2 Z362774598 [0,1,0,1,0,0|2,0,0]=4 781 B14R2.50 NC1=C(C=CC=C1)CN2CCCC2 Z285162766 [0,1,0,1,0,0|2,0,0]=4 782 B14R2.50 NC1=C(C=CC=C1)OC2CCCC2 Z451452444 [0,1,0,1,0,0|2,0,0]=4 783 B14R2.50 NC1=C(C=CC=C1)SC2CCCC2 Z317061040 [0,1,0,1,0,0|2,0,0]=4 784 B14R2.50 OC1=C(C=CC=C1)CC2CCNC2 Z4189572894 [0,1,0,1,0,0|2,0,0]=4 785 B14R2.296 OC1CCCC1C2=C(C=CC=C2)Cl Z992949474 [0,1,0,1,0,0|2,0,0]=4 786 B14R2.8045 CC1CC2=C(C=CC=C2Br)C(=O)N1 Z1218937046 [0,1,0,1,0,0|1,0,1]=4 787 B14R2.193 CC1([C@H]([C@@H]1C2=CC=CC=C2)CN)C Z2286737524 [0,1,0,1,0,0|2,0,0]=4 788 B14R2.333 CC1(CNCC1C2=CC=CC=C2)C Z1463351171 [0,1,0,1,0,0|2,0,0]=4 789 B14R2.333 O=S1(=O)NCCC1C2=CC=CC=C2 Z1813175701 [0,1,0,1,0,0|2,0,0]=4 790 B14R2.21280 CC(N)(CC1=CC=CC=C1)C2CC2 Z449374640 [0,1,0,1,0,0|1,0,0]=3 791 B14R3.44 C1=CC=C(C=C1)[C@H]2NC[C@@H]3[C@H]2C3 Z3869460248 [0,0,0,2,0,0|2,0,0]=4 792 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 Z1198156372 [0,0,0,2,0,0|1,0,1]=4 793 B14R3.2936 C1=CC=C(C=C1)C23CNCC2C3 Z2803719278 [0,0,0,2,0,0|2,0,0]=4 794 B14R3.2936 C1=CC=C(C=C1)[C@]23CNC[C@H]2C3 Z2568758552 [0,0,0,2,0,0|2,0,0]=4 795 B14R3.17744 NCC1C2C1C3=C(C2)C=CC=C3 Z1436410963 [0,0,0,2,0,0|2,0,0]=4 796 B14R3.6343 NC1C2C1C3=C(CC2)C=CC=C3 Z1474026250 [0,0,0,2,0,0|2,0,0]=4 797 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [1,0,0,0,1,0|1,0,0]=3 798 B10R1.21 CCNCCC1=NC=CS1 Z1104861381 [1,0,0,0,1,0|2,0,0]=4 799 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,1,0|1,0,1]=4 800 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,1,0|1,0,0]=3 801 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,0,0,0,1,0|2,0,0]=4 802 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,0,0,0,1,0|1,0,1]=4 803 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,1,0|1,0,0]=3 804 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [1,0,0,0,1,0|2,0,0]=4 805 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,1,0|1,0,0]=3 806 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,0,0,0,1,0|2,0,0]=4 807 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,0,0,0,1,0|1,0,1]=4 808 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,0,0,0,1,0|1,0,1]=4 809 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,1,0|0,0,0]=2 810 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,0,0,0,1,0|1,0,0]=3 811 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,0,0,0,1,0|1,0,0]=3 812 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,1,0|1,0,0]=3 813 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,1,0|2,0,0]=4 814 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,1,0|2,0,0]=4 815 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,0,0,0,1,0|2,0,0]=4 816 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,1,0|2,0,0]=4 817 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,1,0|2,0,0]=4 818 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [1,0,0,0,1,0|2,0,0]=4 819 B10R1.27 CCN(C)CC1=CC=CO1 Z5358972165 [1,0,0,0,1,0|2,0,0]=4 820 B10R1.27 CNC(C)CC1=CNN=C1 Z5095434431 [1,0,0,0,1,0|2,0,0]=4 821 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [1,0,0,0,1,0|1,0,0]=3