0 B11R0.3 CCCCCCCCCCC=O Z993017862 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCCCCCCC=O Z104477054 [1,0,0,0,0,0|0,0,3]=4 2 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [0,0,0,1,0,0|2,0,0]=3 3 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [0,0,0,1,0,0|2,0,0]=3 4 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [0,0,0,1,0,0|2,0,0]=3 5 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,0,0,1,0,0|3,0,0]=4 6 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [0,0,0,1,0,0|2,0,0]=3 7 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [0,0,0,1,0,0|3,0,0]=4 8 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [0,0,0,1,0,0|3,0,0]=4 9 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [0,0,0,1,0,0|3,0,0]=4 10 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,0,0,1,0,0|3,0,0]=4 11 B12R1.8 COCCNCC1=NC=CC=C1 Z90501853 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [0,0,0,1,0,0|2,0,0]=3 13 B12R1.8 NCCCCNC1=NC=CC=C1 Z600500000 [0,0,0,1,0,0|3,0,0]=4 14 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,0,0,1,0,0|3,0,0]=4 16 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [0,0,0,1,0,0|3,0,0]=4 18 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.45 COCCCN1N=CC=C1C=O Z1993711925 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [0,0,0,1,0,0|2,0,1]=4 25 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [0,0,0,1,0,0|1,0,2]=4 26 B12R1.267 N#CCCCN1C=CC=CC1=O Z295205162 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.267 NCCCCN1C=CC=CC1=O Z285163694 [0,0,0,1,0,0|2,0,0]=3 28 B9R0.45 CCCCCCCNC=O Z1203732044 [2,0,0,0,0,0|1,0,1]=4 29 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,2,0,0,0,0|0,0,2]=4 30 B11R1.17 COCCN1C=CC=CC1=O Z285935542 [1,0,0,1,0,0|2,0,0]=4 31 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,0,0,1,0,0|2,0,0]=4 33 B11R1.18 CCCCC1=C(SC=C1)C=O Z1511787634 [1,0,0,1,0,0|1,0,1]=4 34 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,0,0,1,0,0|0,0,1]=3 35 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,0,1,0,0|1,0,1]=4 36 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,0,0,1,0,0|2,0,0]=4 37 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,0,0,1,0,0|1,0,1]=4 38 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,0,0,1,0,0|2,0,0]=4 39 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,0,0,1,0,0|1,0,1]=4 40 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,0,0,1,0,0|1,0,1]=4 41 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,0,1,0,0|1,0,1]=4 42 B11R1.203 O=CNN=C1CCCCCC1 Z49645680 [1,0,0,1,0,0|2,0,0]=4 43 B13R1.6 CCCNCCC1=CC(=CC=C1)F Z1267881689 [0,1,0,1,0,0|2,0,0]=4 44 B13R1.6 CNCCCCC1=CC(=CC=C1)Br Z3023446824 [0,1,0,1,0,0|2,0,0]=4 45 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,1,0,1,0,0|1,0,1]=4 46 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,1,0,1,0,0|1,0,0]=3 47 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,1,0,1,0,0|2,0,0]=4 48 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [0,1,0,1,0,0|1,0,0]=3 49 B13R1.28 CNCCCOCC1=CC=CC=C1 Z164328298 [0,1,0,1,0,0|2,0,0]=4 50 B13R1.28 COCCCNCC1=CC=CC=C1 Z1723483716 [0,1,0,1,0,0|2,0,0]=4 51 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [0,1,0,1,0,0|2,0,0]=4 52 B13R1.28 NCCCCNCC1=NC=CC=C1 Z4562297925 [0,1,0,1,0,0|2,0,0]=4 53 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [0,1,0,1,0,0|2,0,0]=4 54 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [0,1,0,1,0,0|2,0,0]=4 55 B13R1.28 OCCCCNCC1=CC=CC=C1 Z57203042 [0,1,0,1,0,0|2,0,0]=4 56 B13R1.28 OCCCOCCC1=CC=CC=C1 Z445138016 [0,1,0,1,0,0|2,0,0]=4 57 B13R1.84 CCCCOC1=C(C=CC=C1)C=O Z57887827 [0,1,0,1,0,0|0,0,2]=4 58 B13R1.555 CCCCCNC1=C(C=CC=N1)Br Z808603322 [0,1,0,1,0,0|2,0,0]=4 59 B13R1.555 CCCCCOC1=C(C=CC=N1)Br Z808605220 [0,1,0,1,0,0|2,0,0]=4 60 B13R1.555 CCCCNCC1=C(C=CC=C1)Cl Z86132035 [0,1,0,1,0,0|1,0,1]=4 61 B13R1.555 CCCCNCC1=C(C=CC=C1)F Z1695709425 [0,1,0,1,0,0|1,0,1]=4 62 B13R1.555 CCCCNCC1=C(C=CC=C1)O Z334909160 [0,1,0,1,0,0|0,0,2]=4 63 B13R1.555 COCCCCC1=C(N=CC=C1)N Z1197893974 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,1,0,1,0,0|1,0,0]=3 65 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,1,0,1,0,0|1,0,0]=3 66 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [0,1,0,1,0,0|2,0,0]=4 67 B13R1.189 CCCCCCC1=CC=C(S1)C=O Z1255491185 [0,1,0,1,0,0|0,0,0]=2 68 B13R1.8919 CC1=CC=CC(=O)N1CCCCN Z600402638 [0,1,0,1,0,0|2,0,0]=4 69 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,1,0,1,0,0|1,0,0]=3 70 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,1,0,1,0,0|2,0,0]=4 71 B13R1.656 CSCCCN1C=C(C=CC1=O)F Z1822536170 [0,1,0,1,0,0|2,0,0]=4 72 B13R1.1133 NCCCCCN1C(=O)C=CC1=O Z3244869460 [0,1,0,1,0,0|2,0,0]=4 73 B13R1.90 CC(C)CCC1=C(C=CC=C1)C=O Z1511909179 [0,1,0,1,0,0|0,0,2]=4 74 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,1,0,1,0,0|1,0,1]=4 75 B13R1.337 CC(C)CNCCC1=CC=CC=C1 Z90503847 [0,1,0,1,0,0|2,0,0]=4 76 B13R1.9 CCCCCOC1=CC=C(C=C1)N Z4968222963 [0,1,0,1,0,0|2,0,0]=4 77 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [0,1,0,1,0,0|2,0,0]=4 78 B13R1.9 CCCCCOC1=NC=C(C=C1)Br Z808609212 [0,1,0,1,0,0|2,0,0]=4 79 B13R1.9 NCCCCCC1=CC=C(C=C1)Br Z3327815448 [0,1,0,1,0,0|2,0,0]=4 80 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [0,1,0,1,0,0|2,0,0]=4 81 B13R1.9 NCCCCCC1=CC=C(C=C1)F Z1255496234 [0,1,0,1,0,0|2,0,0]=4 82 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.1 CCNC1CCC2=C1C=CC=C2 Z812517138 [0,0,0,2,0,0|2,0,0]=4 84 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [0,0,0,2,0,0|2,0,0]=4 85 B13R2.3 C1=CC=C(C=C1)C2CCNCC2 Z235351197 [0,0,0,2,0,0|2,0,0]=4 86 B13R2.3 C1=CN=C(C=C1)C2CCCNC2 Z2211231363 [0,0,0,2,0,0|2,0,0]=4 87 B13R2.3 C1=CN=C(C=C1)C2CCNCC2 Z320116674 [0,0,0,2,0,0|2,0,0]=4 88 B13R2.3 C1=CN=C(C=C1)N2CCCCC2 Z31192691 [0,0,0,2,0,0|2,0,0]=4 89 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,0,0,2,0,0|2,0,0]=4 90 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,0,0,2,0,0|2,0,0]=4 91 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,0,0,2,0,0|2,0,0]=4 92 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,2,0,0|2,0,0]=4 93 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,0,0,2,0,0|2,0,0]=4 94 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,0,0,2,0,0|2,0,0]=4 95 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,0,0,2,0,0|2,0,0]=4 96 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [0,0,0,2,0,0|2,0,0]=4 97 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 Z334877896 [0,0,0,2,0,0|2,0,0]=4 98 B13R2.64 C1=CN=C(C=C1)CN2CCCC2 Z232680510 [0,0,0,2,0,0|2,0,0]=4 99 B13R2.64 C1=CN=C(C=C1)NC2CCCC2 Z31239725 [0,0,0,2,0,0|2,0,0]=4 100 B13R2.67 C1=CC2=C(C=C1)CCNCCC2 Z1262566301 [0,0,0,2,0,0|2,0,0]=4 101 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [0,0,0,2,0,0|2,0,0]=4 102 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 Z1262691695 [0,0,0,2,0,0|1,0,1]=4 103 B13R2.1613 CCC1CNCC2=C1C=CC=C2 Z3241258832 [0,0,0,2,0,0|2,0,0]=4 104 B13R2.1613 CCC1NCCC2=C1C=CC=C2 Z1267881708 [0,0,0,2,0,0|2,0,0]=4 105 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [0,0,0,2,0,0|2,0,0]=4 106 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 Z1255463357 [0,0,0,2,0,0|0,0,2]=4 107 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [0,0,0,2,0,0|2,0,0]=4 108 B13R2.2382 C1=CN=C(C=C1)CCNC2CC2 Z53117494 [0,0,0,2,0,0|2,0,0]=4 109 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [0,0,0,2,0,0|2,0,0]=4 110 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 Z3013892395 [0,0,0,2,0,0|2,0,0]=4 111 B13R2.2383 C1=CC=C(C=C1)NCC2CCC2 Z685843986 [0,0,0,2,0,0|2,0,0]=4 112 B13R2.5252 CC1CCCNC2=C1C=CC=C2 Z1262580132 [0,0,0,2,0,0|2,0,0]=4 113 B13R2.5252 CC1CNCCC2=C1C=CC=C2 Z1262566288 [0,0,0,2,0,0|2,0,0]=4 114 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [0,0,0,2,0,0|0,0,2]=4 115 B13R2.5252 OC1CCCCC2=C1C=CC=C2 Z228586126 [0,0,0,2,0,0|2,0,0]=4 116 B13R2.61 O=CC1=CC=NN1C2CCCC2 Z1201626643 [0,0,0,2,0,0|2,0,0]=4 117 B13R2.84 CC1=C(C=CC2=C1CCC2)C=O Z4133054632 [0,0,0,2,0,0|0,0,2]=4 118 B13R2.1680 O=CC1=CC=NN1CC2CCC2 Z2754867851 [0,0,0,2,0,0|2,0,0]=4 119 B13R2.2093 O=CC1=CN=C2N1CCCCC2 Z1162448801 [0,0,0,2,0,0|2,0,0]=4 120 B13R2.32 CC1CCC2=C(C1=O)C=CC=C2 Z854043700 [0,0,0,2,0,0|0,0,2]=4 121 B13R2.57 CCC1CCC2=C(N1)C=CC=C2 Z1198725492 [0,0,0,2,0,0|1,0,1]=4 122 B13R2.57 O=CC1=CC2=C(C=C1)CCCC2 Z385369922 [0,0,0,2,0,0|0,0,2]=4 123 B13R2.2528 O=CC1=C(C=CC=C1)C2CCC2 Z1741900951 [0,0,0,2,0,0|0,0,2]=4 124 B13R2.3672 O=C1NCC2=C1CCCCCC2 Z3417107628 [0,0,0,2,0,0|1,0,1]=4