0 B13R1.669 Cc1cc(CCCCO)ccc1Cl Amb33253131 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.669 Cc1cc(CCCCO)ccc1F Amb17089160 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.669 Cc1cc(OCCCO)ncc1N Amb33035607 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.669 Cc1ccc(CCCCN)cc1O Amb33427568 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.669 Cc1ccc(CCCCO)cc1C Amb17089154 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.669 Cc1cnc(OCCCO)cc1N Amb33035683 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.669 NC1=CN(CCCCO)C=CC1=O Amb32699754 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.669 NCCCCc1ccc(O)c(O)c1 Amb18193123 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.669 Nc1cnc(NCCCO)nc1O Amb27444090 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.669 OCCCCc1ccc(Cl)c(Cl)c1 Amb32718800 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.669 OCCCCc1ccc(F)c(Cl)c1 Amb18864706 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.669 OCCCCc1ccc(F)c(F)c1 Amb17194578 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.1 C#CCCNC1=NNC(=O)C=C1 Amb28280698 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.1 COCCNC1=NNC(=O)C=C1 Amb28282333 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.1 Cc1ccc(CCCCN)nc1 Amb33172517 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.1 Cc1ccc(CCCCN)nn1 Amb18828126 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.1 Cc1ccc(CCCCO)cc1 Amb16183285 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.1 NCCCCc1ccc(Br)cn1 Amb33242740 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.1 NCCCCc1ccc(Cl)cn1 Amb33221631 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.1 NCCCCc1ccc(F)cn1 Amb33315558 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.1 Nc1ccc(CCCCO)cc1 Amb18828232 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.1 Nc1ccc(NCCCO)nc1 Amb8997319 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.1 Nc1ccc(OCCCO)nc1 Amb8842582 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.1 OCCCCc1ccc(Br)cc1 Amb17089159 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.1 OCCCCc1ccc(Cl)cc1 Amb17089158 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.1 OCCCCc1ccc(F)cc1 Amb17089157 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.1 OCCCCc1ccc(O)cc1 Amb8439668 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.1 OCCCNc1ccc(Br)cn1 Amb6629283 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.1 OCCCNc1ccc(Cl)nn1 Amb843111 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.1 OCCCOc1ccc(Br)cn1 Amb33249780 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.1 OCCNCc1ccc(Br)cn1 Amb24080720 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.1 OCCNCc1ccc(Cl)nn1 Amb21862217 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.28 Cc1cccc(CCCCO)c1 Amb34913399 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.28 Cc1ccnc(CCCCN)c1 Amb18828700 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.28 Cc1cnnc(CCCCN)c1 Amb18828127 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.28 NCCCCc1cc(F)ccn1 Amb33325521 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.28 NCCCCc1cccc(O)c1 Amb32954959 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.28 Nc1ccnc(OCCCO)c1 Amb18799037 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.28 OCCCCc1cccc(Br)c1 Amb20668830 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.28 OCCCCc1cccc(Cl)c1 Amb32667642 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.28 OCCCCc1cccc(F)c1 Amb34913274 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.28 OCCNCc1cccc(O)c1 Amb7757039 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.385 CCCCc1cc(C)c(Br)cn1 Amb32655041 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.385 CCCCc1cc(C)c(N)cn1 Amb24390699 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.385 CCCCc1cc(N)c(C)cn1 Amb27450639 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.385 CCCCc1ccc(O)c(O)c1 Amb22167996 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.385 Cc1ccc(CCCO)cc1O Amb33427567 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.385 NCCCc1cc(O)c(Cl)cn1 Amb27868571 [1,0,0,0,0,0|3,0,0]=4 49 B12R1.385 OCCCc1ccc(I)c(O)c1 Amb27870723 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.385 OCCCc1ccc(O)c(O)c1 Amb25946318 [1,0,0,0,0,0|2,0,1]=4 51 B14R1.967 NC(CCO)Cc1ccc(O)c(O)c1 Amb18812520 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.3621 NC1=CN(CCCCO)C(=O)NC1=O Amb32699760 [0,1,0,0,0,0|3,0,0]=4 53 B12R0.251 C=C(C)C(=O)NCCCCCCO Amb32411249 [0,0,1,0,0,0|2,0,1]=4 54 B14R2.7726 NC1=CC2=C(CCCCC2)NC1=O Amb23440685 [0,0,0,1,0,0|3,0,0]=4 55 B14R2.28472 CC1=CC2=C(NC1=O)C(C)CCC2 Amb18038532 [0,0,0,1,0,0|3,0,0]=4 56 B12R1.457 Cc1cn(CCCCO)nc1N Amb32699749 [0,0,0,0,1,0|3,0,0]=4 57 B12R1.457 Cc1nn(CCCCO)cc1N Amb23590254 [0,0,0,0,1,0|3,0,0]=4 58 B12R1.457 Nc1nn(CCCCO)cc1Br Amb32699751 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.457 Nc1nn(CCCCO)cc1Cl Amb32699750 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.1 CCCCC1=CNC(=O)C=N1 Amb24501761 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.1 CCCCC1=NNC(=O)C=C1 Amb25791568 [2,0,0,0,0,0|0,0,0]=2 62 B11R1.1 CCCCc1ccc(Cl)nn1 Amb30982148 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.1 CCCCc1ccc(N)cn1 Amb26866351 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.1 CCCCc1ccc(O)cn1 Amb25831110 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.1 CCCNC1=CNC(=O)C=C1 Amb28045138 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.1 CCCOC1=NNC(=S)C=C1 Amb27246771 [2,0,0,0,0,0|1,1,0]=4 67 B11R1.1 Cc1ccc(CCCO)nc1 Amb25073187 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.1 OCCCc1ccc(Br)cn1 Amb25309177 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.1 OCCCc1ccc(Cl)cn1 Amb32945510 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.1 OCCCc1ccc(Cl)nn1 Amb28281925 [2,0,0,0,0,0|1,0,1]=4 71 B11R1.1 OCCCc1ccc(F)cn1 Amb33315556 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.1 OCCCc1ccc(I)cn1 Amb27193498 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.28 CCCCCc1ccccn1 Amb533507 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.28 NCCCCc1ccccn1 Amb1102767 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.28 NCCCCc1cccnn1 Amb18201561 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.28 OCCCCc1ccccc1 Amb3939083 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.28 OCCCCc1ccccn1 Amb21520414 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.28 OCCCCc1cccnc1 Amb22732495 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.28 OCCCCc1cnccn1 Amb27269855 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.28 OCCCCc1ncccn1 Amb27989793 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.28 OCCCNc1ccccn1 Amb6627879 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.28 OCCCOc1ccccn1 Amb25383036 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.28 OCCCOc1cccnn1 Amb27674344 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.28 OCCCSc1ccccn1 Amb9370833 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.28 OCCCSc1cccnn1 Amb27271620 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.28 OCCNCc1ccccn1 Amb2592506 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.28 OCCNCc1cccnn1 Amb27671491 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.28 OCCSCc1ccccn1 Amb9362966 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.28 SCCCCc1ccccn1 Amb18563822 [2,0,0,0,0,0|1,1,0]=4 90 B11R1.24 CCCCc1cc(Br)ccn1 Amb24083005 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.24 CCCCc1cc(N)ccn1 Amb30010808 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.24 CCCCc1cc(O)ncn1 Amb9174446 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.24 CCCCc1cccc(O)c1 Amb26463186 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.24 CCCCc1cncc(O)c1 Amb28383031 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.24 Cc1ccnc(CCCO)c1 Amb26476245 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.24 Nc1ccnc(CCCO)c1 Amb26880305 [2,0,0,0,0,0|2,0,0]=4 97 B11R1.24 OCCCc1cc(F)ccn1 Amb33325520 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.24 OCCCc1cccc(O)c1 Amb17089514 [2,0,0,0,0,0|2,0,0]=4 99 B13R1.9 OCCCCNc1ccc(Br)cn1 Amb32653328 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.17 O=C1C=CC(C(=O)NCCO)=NN1 Amb18328068 [1,1,0,0,0,0|1,0,1]=4 101 B13R1.369 O=C1NN=C(SCCCO)C(=O)N1 Amb18012621 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.6 OCCCNCc1cccc(O)c1 Amb6733724 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.666 COc1ccnc(CCCCN)c1 Amb33079731 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.511 O=C(O)CCC1=NNC(=O)C(O)=C1 Amb28453479 [1,1,0,0,0,0|0,0,1]=3 105 B13R1.1630 CCCCC1=C(C)NC(=O)C(N)=C1 Amb27484148 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.3518 CCCCC1=NNC(=O)C(C)=C1C Amb27837007 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.162 C\C(=N/NC(=O)CO)C1CCCO1 Amb27197445 [0,0,1,1,0,0|0,0,2]=4 108 B13R2.12 Clc1ccc(C2CCCO2)nn1 Amb26489453 [1,0,0,1,0,0|1,0,1]=4 109 B13R2.12 Nc1ccc(C2CCCO2)nn1 Amb28422152 [1,0,0,1,0,0|1,0,1]=4 110 B13R2.12 O=C1C=CC(C2CCCN2)=NN1 Amb26647414 [1,0,0,1,0,0|1,0,0]=3 111 B13R2.12 O=C1C=CC(C2CCCO2)=NN1 Amb28344480 [1,0,0,1,0,0|0,0,0]=2 112 B13R2.12 O=C1C=CC(C2CCNC2)=NN1 Amb26898565 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.12 O=C1C=CC(C2CCOC2)=NN1 Amb27190805 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.12 O=C1C=CC(N2CCCC2)=NN1 Amb20268581 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.12 O=C1C=CC([C@@H]2CCCN2)=NN1 Amb27243627 [1,0,0,1,0,0|1,0,0]=3 116 B13R2.42 OCC1CC1c2ccc(Br)cn2 Amb27409422 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.162 CC1CCCC2=NNC(=O)C=C21 Amb31193669 [1,0,0,1,0,0|1,0,0]=3 118 B13R2.162 Nc1cnc2c(c1)C(O)CCC2 Amb23580650 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.162 O=C1C=CC2=C(N1)C(O)CCC2 Amb28251120 [1,0,0,1,0,0|1,0,0]=3 120 B13R2.162 OC1CCCc2ncc(Cl)cc21 Amb23580661 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.527 O=C1C=CC(CNC2CC2)=NN1 Amb18210108 [1,0,0,1,0,0|2,0,0]=4 122 B13R2.2136 OCC1CCc2ncc(Br)cc21 Amb27228960 [1,0,0,1,0,0|2,0,0]=4 123 B13R2.3729 O=C1C=C2CCCCCC2=NN1 Amb18800806 [1,0,0,1,0,0|1,0,0]=3 124 B13R2.3729 O=C1C=CC2=C(CCCCC2)N1 Amb23450146 [1,0,0,1,0,0|2,0,0]=4 125 B13R2.13 Oc1ccnc(C2CCCC2)c1 Amb20617631 [1,0,0,1,0,0|2,0,0]=4 126 B13R2.13 Oc1ccnc(C2CCCN2)c1 Amb28146840 [1,0,0,1,0,0|2,0,0]=4 127 B13R2.150 Oc1cccc(C2CCC2O)c1 Amb33213857 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.5179 Oc1ccc2c(c1)CCCC2O Amb18800788 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.5331 Oc1cccc(CCC2CO2)c1 Amb27404271 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.32 NC1=C2CCCCC2=NNC1=O Amb28127257 [1,0,0,1,0,0|1,0,0]=3 131 B13R2.32 O=C1C=NC2=C(CCCC2)N1O Amb28244386 [1,0,0,1,0,0|2,0,0]=4 132 B13R2.369 CC1=CC2=C(CCCC2)NC1=O Amb18540683 [1,0,0,1,0,0|2,0,0]=4 133 B13R2.369 NC1=CC2=C(CCCC2)NC1=O Amb18861937 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.369 O=C1NC2=C(C=C1Br)CCCC2 Amb23536288 [1,0,0,1,0,0|2,0,0]=4 135 B13R2.369 O=C1NC2=C(C=C1Cl)CCCC2 Amb23509270 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.521 O=C1NN=C(CC2CC2)C=C1O Amb28071628 [1,0,0,1,0,0|0,0,0]=2 137 B13R2.2348 CN1C(=O)NN=C1C2CCCO2 Amb33609643 [0,0,0,1,1,0|2,0,0]=4 138 B15R2.94 O=C1NC=C(C2CCNCC2)C=C1O Amb24654441 [0,1,0,1,0,0|2,0,0]=4 139 B15R2.2039 CC1CCCC2=C1NC(=O)C(CO)=C2 Amb18540748 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [1,0,0,0,1,0|1,0,1]=4 141 B11R1.27 CCCCCC1=NNC(=O)O1 Amb24755475 [1,0,0,0,1,0|2,0,0]=4 142 B11R1.27 Cc1csc(CCCCO)n1 Amb27266675 [1,0,0,0,1,0|2,0,0]=4 143 B11R1.27 Cn1ccc(CCCCO)n1 Amb27269457 [1,0,0,0,1,0|2,0,0]=4 144 B11R1.27 Nc1ccn(CCCCO)n1 Amb18796848 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.27 O=C1C=C(CCCCCl)CN1 Amb27990105 [1,0,0,0,1,0|2,0,0]=4 146 B11R1.27 O=C1C=C[C@@H](CCCCO)O1 Amb27989710 [1,0,0,0,1,0|1,0,1]=4 147 B11R1.27 OCCCCc1ccc(Br)o1 Amb27674012 [1,0,0,0,1,0|2,0,0]=4 148 B11R1.27 OCCCCc1ccc(Br)s1 Amb17195960 [1,0,0,0,1,0|2,0,0]=4 149 B11R1.27 OCCCCc1ccc(Cl)s1 Amb17194624 [1,0,0,0,1,0|2,0,0]=4 150 B11R1.212 CCCCC1=C(F)C(=O)NN1 Amb27607108 [1,0,0,0,1,0|1,0,1]=4 151 B11R1.757 CCCCCC1=CC(=O)C1=O Amb27672574 [0,0,0,0,2,0|1,0,1]=4