0 B15R1.1035 CCCCC\C(=C\c1ccccc1)CO Amb22002472 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.1035 CCCCC\C(C=O)=C\c1ccccc1 Amb8493476 [0,0,0,0,0,0|0,0,2]=2 2 B15R1.1035 CCN(CCCNC)Cc1ccccc1 Amb27251334 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.158 C=CCNC\C(C)=C\c1ccccc1 Amb20673614 [1,0,0,0,0,0|1,0,2]=4 4 B14R1.158 C=CCNC\C(C)=C\c1ccccc1 Amb20673617 [1,0,0,0,0,0|1,0,2]=4 5 B14R1.158 CCCCNC(=O)Nc1ccccc1 Amb6565930 [1,0,0,0,0,0|2,0,1]=4 6 B14R1.158 CCCCNC(=S)Nc1ccccc1 Amb1804766 [1,0,0,0,0,0|2,1,0]=4 7 B14R1.158 CCCCNC(C)Cc1ccccc1 Amb19041462 [1,0,0,0,0,0|1,0,2]=4 8 B14R1.158 CCCCOC(=O)Cc1ccccc1 Amb9787240 [1,0,0,0,0,0|1,0,2]=4 9 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb19890261 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb20673527 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.158 CCCSCC(=O)Cc1ccccc1 Amb9668687 [1,0,0,0,0,0|1,0,2]=4 12 B14R1.158 CN(CCCCCl)Cc1ccccc1 Amb17339782 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.158 CN(CCCCO)Cc1ccccc1 Amb9370065 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.158 CN(CCCCS)Cc1ccccc1 Amb27197835 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.158 CNCCCC(=O)Nc1ccccc1 Amb28600467 [1,0,0,0,0,0|2,0,1]=4 16 B14R1.158 CNCCCN(C)Cc1ccccc1 Amb6710801 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.158 C\C(=C/c1ccccc1)CCN=C=O Amb33481079 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.158 C\C(=C/c1ccccc1)CCN=[N+]=[N-] Amb33381472 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.158 O=C(CCCCBr)Nc1ccccc1 Amb17264932 [1,0,0,0,0,0|2,0,1]=4 20 B16R1.1230 CCCCCN(CC)Cc1ccc(N)cc1 Amb33529255 [0,1,0,0,0,0|2,0,1]=4 21 B16R1.1407 CCCCCC\C(C=O)=C/c1ccccc1 Amb533085 [0,1,0,0,0,0|0,0,2]=3 22 B16R1.1407 CCCCCC\C(C=O)=C\c1ccccc1 Amb574394 [0,1,0,0,0,0|0,0,2]=3 23 B16R1.1407 CCN(CCCCCN)Cc1ccccc1 Amb17505158 [0,1,0,0,0,0|2,0,1]=4 24 B16R1.1407 CCN(CCCCCS)Cc1ccccc1 Amb28192610 [0,1,0,0,0,0|2,0,1]=4 25 B16R1.1407 CCN(CCCCNC)Cc1ccccc1 Amb27966589 [0,1,0,0,0,0|2,0,1]=4 26 B16R1.1420 CCNCCC(CO)C(C)c1ccccc1 Amb33133736 [0,1,0,0,0,0|1,0,2]=4 27 B16R1.1438 CCCCCN(CCCl)Cc1ccccc1 Amb27611533 [0,1,0,0,0,0|2,0,1]=4 28 B16R1.1438 CCCCCN(CCN)Cc1ccccc1 Amb28187685 [0,1,0,0,0,0|2,0,1]=4 29 B16R1.1438 CCCCCN(CCO)Cc1ccccc1 Amb27450890 [0,1,0,0,0,0|1,0,1]=3 30 B16R1.1438 CCOCCN(CCO)Cc1ccccc1 Amb28192681 [0,1,0,0,0,0|2,0,1]=4 31 B16R1.1438 COCCCN(CCO)Cc1ccccc1 Amb27150276 [0,1,0,0,0,0|2,0,1]=4 32 B16R1.1438 CSCCCN(CCO)Cc1ccccc1 Amb27628952 [0,1,0,0,0,0|2,0,1]=4 33 B16R1.1438 OCCCCN(CCO)Cc1ccccc1 Amb27172668 [0,1,0,0,0,0|2,0,1]=4 34 B16R1.1438 OCCN(CCCCBr)Cc1ccccc1 Amb27797006 [0,1,0,0,0,0|2,0,1]=4 35 B16R1.1438 OCCN(CCCCF)Cc1ccccc1 Amb27796952 [0,1,0,0,0,0|2,0,1]=4 36 B16R1.3379 CCN(CCCC(C)N)Cc1ccccc1 Amb27174583 [0,1,0,0,0,0|2,0,1]=4 37 B16R1.4400 CCC(N)CCN(CC)Cc1ccccc1 Amb27442885 [0,1,0,0,0,0|2,0,1]=4 38 B16R2.35 N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O Amb30531004 [0,0,0,1,0,0|2,0,1]=4 39 B16R2.69 N[C@@H]1CCCCC[C@@H]1Oc2ccccc2 Amb23536482 [0,0,0,1,0,0|2,0,1]=4 40 B16R2.101 OC[C@@H](Cc1ccccc1)N2CCCC2 Amb30628595 [0,0,0,1,0,0|1,0,2]=4 41 B16R2.112 CCCCn1c(C=O)cc2ccccc21 Amb32417760 [0,0,0,1,0,0|1,0,2]=4 42 B16R2.112 CCCCn1c(CN)nc2ccccc21 Amb10976439 [0,0,0,1,0,0|3,0,0]=4 43 B16R2.112 CCCCn1c(CO)nc2ccccc21 Amb1045718 [0,0,0,1,0,0|2,0,0]=3 44 B16R2.112 COCCn1c(CO)nc2ccccc21 Amb1156280 [0,0,0,1,0,0|3,0,0]=4 45 B16R2.2272 Cn1c(CCCCN)cc2ccccc21 Amb18786374 [0,0,0,1,0,0|3,0,0]=4 46 B16R2.2441 CCCCOc1ccc2ccccc2c1 Amb3836169 [0,0,0,1,0,0|2,0,1]=4 47 B16R2.2441 CCCNCC1COc2ccccc2O1 Amb22023 [0,0,0,1,0,0|2,0,1]=4 48 B16R2.2441 CCCNCC1COc2ccccc2O1 Amb2370759 [0,0,0,1,0,0|2,0,1]=4 49 B16R2.2441 CCCNCc1ccc2ccccc2c1 Amb6665841 [0,0,0,1,0,0|2,0,1]=4 50 B16R2.2441 NCCCCC1COc2ccccc2C1 Amb33447915 [0,0,0,1,0,0|1,0,2]=4 51 B16R2.2441 NCCCCC1COc2ccccc2O1 Amb33325711 [0,0,0,1,0,0|2,0,1]=4 52 B16R2.2441 NCCCCc1ccc2ccccc2c1 Amb18049792 [0,0,0,1,0,0|2,0,1]=4 53 B16R2.2441 NCCCCc1cnc2ccccc2c1 Amb33474974 [0,0,0,1,0,0|2,0,1]=4 54 B16R2.2441 OCCCCc1ccc2ccccc2c1 Amb33716158 [0,0,0,1,0,0|2,0,1]=4 55 B16R2.7942 NCC1(Cc2ccccc2)CCCCC1 Amb31217623 [0,0,0,1,0,0|1,0,2]=4 56 B16R2.7942 NCC1(Nc2ccccc2)CCCCC1 Amb208333 [0,0,0,1,0,0|2,0,1]=4 57 B16R2.7942 NCC1(Nc2ccccc2)CCCCC1 Amb35752628 [0,0,0,1,0,0|2,0,1]=4 58 B16R2.7942 NCC1(Oc2ccccc2)CCCCC1 Amb17403131 [0,0,0,1,0,0|2,0,1]=4 59 B16R2.7942 OCC1(Cc2ccccc2)CCCNC1 Amb19614132 [0,0,0,1,0,0|1,0,2]=4 60 B16R2.7942 OCC1(Cc2ccccc2)CCNCC1 Amb33528405 [0,0,0,1,0,0|1,0,2]=4 61 B16R2.7942 OCC1(Cc2ccccc2)CCNCC1 Amb8011067 [0,0,0,1,0,0|1,0,2]=4 62 B16R2.7942 OCC1(Nc2ccccc2)CCNCC1 Amb8396511 [0,0,0,1,0,0|2,0,1]=4 63 B16R2.7942 OCC1(Oc2ccccc2)CCCCC1 Amb17403293 [0,0,0,1,0,0|1,0,1]=3 64 B16R2.11171 CCn1nnc(CO)c1-c2ccccc2 Amb17537287 [0,0,0,1,0,0|3,0,0]=4 65 B16R2.51757 CCCc1nc(CN)cc2ccccc12 Amb31096541 [0,0,0,1,0,0|2,0,1]=4 66 B16R2.51757 CCOc1cc(CO)cc2ccccc12 Amb23570403 [0,0,0,1,0,0|1,0,2]=4 67 B14R1.121 CCCCNC(CC)c1ccccc1 Amb9736122 [0,0,0,0,1,0|2,0,1]=4 68 B14R1.121 CCCCNC(CO)c1ccccc1 Amb33496251 [0,0,0,0,1,0|1,0,1]=3 69 B14R1.121 CCCCOC(CBr)c1ccccc1 Amb33348519 [0,0,0,0,1,0|2,0,1]=4 70 B14R1.121 CCCCOC(CI)c1ccccc1 Amb33349136 [0,0,0,0,1,0|2,0,1]=4 71 B14R1.121 CCN(CCCNC)c1ccccc1 Amb19079128 [0,0,0,0,1,0|3,0,0]=4 72 B16R1.1758 CSCCCC(CO)NCc1ccccc1 Amb27803418 [0,0,0,0,0,1|1,0,2]=4 73 B13R0.338 C\C=C\C=C\C=C\C(O)CCCCC Amb22546607 [1,0,1,0,0,0|0,0,2]=4 74 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.28 CCCCCC#Cc1ccccc1 Amb2721606 [2,0,0,0,0,0|0,0,2]=4 76 B13R1.28 CCCCCCCc1ccccc1 Amb8513456 [2,0,0,0,0,0|0,0,2]=4 77 B13R1.28 CCCCCCNc1ccccc1 Amb597405 [2,0,0,0,0,0|1,0,1]=4 78 B13R1.28 CCCCCNCc1ccccc1 Amb838091 [2,0,0,0,0,0|1,0,1]=4 79 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [2,0,0,0,0,0|1,0,0]=3 80 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [2,0,0,0,0,0|1,0,0]=3 81 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [2,0,0,0,0,0|1,0,0]=3 82 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [2,0,0,0,0,0|1,0,0]=3 83 B13R1.28 COCCC\N=C\c1ccccc1 Amb33280239 [2,0,0,0,0,0|2,0,0]=4 84 B13R1.28 NCCSC\C=C\c1ccccc1 Amb9727179 [2,0,0,0,0,0|2,0,0]=4 85 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [2,0,0,0,0,0|2,0,0]=4 86 B13R1.28 OCCNC\C=C\c1ccccc1 Amb6864512 [2,0,0,0,0,0|2,0,0]=4 87 B13R1.44 C#CCC\C(C)=C\c1ccccc1 Amb33381227 [2,0,0,0,0,0|0,0,2]=4 88 B13R1.44 CCCCC(=O)Cc1ccccc1 Amb3940684 [2,0,0,0,0,0|0,0,2]=4 89 B13R1.44 CCCCC(=O)Nc1ccccc1 Amb3104073 [2,0,0,0,0,0|1,0,1]=4 90 B13R1.44 CCCCC(=O)Oc1ccccc1 Amb3123544 [2,0,0,0,0,0|1,0,1]=4 91 B13R1.44 CCCCC(O)Cc1ccccc1 Amb4034774 [2,0,0,0,0,0|0,0,2]=4 92 B13R1.44 CCCCN(C)Cc1ccccc1 Amb1828371 [2,0,0,0,0,0|1,0,1]=4 93 B13R1.44 CNCC\C(C)=C\c1ccccc1 Amb33476406 [2,0,0,0,0,0|1,0,0]=3 94 B13R1.44 C\C(=C/c1ccccc1)CCC#N Amb33476436 [2,0,0,0,0,0|1,0,1]=4 95 B13R1.44 C\C(=C/c1ccccc1)CCC=O Amb32954206 [2,0,0,0,0,0|1,0,1]=4 96 B13R1.44 C\C(=C/c1ccccc1)CCCBr Amb33381474 [2,0,0,0,0,0|1,0,0]=3 97 B13R1.44 C\C(=C/c1ccccc1)CCCN Amb32951765 [2,0,0,0,0,0|1,0,0]=3 98 B13R1.44 C\C(=C/c1ccccc1)CCCO Amb33081745 [2,0,0,0,0,0|1,0,0]=3 99 B13R1.44 C\C(=C/c1ccccc1)CCCS Amb33381252 [2,0,0,0,0,0|1,0,0]=3 100 B13R1.44 C\C(=C/c1ccccc1)CCON Amb33476438 [2,0,0,0,0,0|2,0,0]=4 101 B13R1.44 [C-]#[N+]CC\C(C)=C\c1ccccc1 Amb33476429 [2,0,0,0,0,0|1,0,1]=4 102 B15R1.83 CCCCCCN(C)Cc1ccccc1 Amb27767045 [1,1,0,0,0,0|1,0,1]=4 103 B15R1.83 CCCCCOC(=O)Cc1ccccc1 Amb4005871 [1,1,0,0,0,0|0,0,2]=4 104 B15R1.83 CCCCNC\C(C)=C\c1ccccc1 Amb20673564 [1,1,0,0,0,0|0,0,0]=2 105 B15R1.83 CCCCNC\C(C)=C\c1ccccc1 Amb20673566 [1,1,0,0,0,0|0,0,0]=2 106 B15R1.83 CCCCOCC(=O)Nc1ccccc1 Amb22229721 [1,1,0,0,0,0|1,0,1]=4 107 B15R1.83 CCCCSCC(=O)Cc1ccccc1 Amb9667969 [1,1,0,0,0,0|0,0,2]=4 108 B15R1.83 CCCNCCC(=O)Nc1ccccc1 Amb24116205 [1,1,0,0,0,0|1,0,1]=4 109 B15R1.83 CN(CCCCCCl)Cc1ccccc1 Amb27877427 [1,1,0,0,0,0|1,0,1]=4 110 B15R1.83 CN(CCCCCO)Cc1ccccc1 Amb17338912 [1,1,0,0,0,0|1,0,1]=4 111 B15R1.83 NCCCCCC(=O)Nc1ccccc1 Amb33299275 [1,1,0,0,0,0|1,0,1]=4 112 B15R1.83 NCCCCCC(=O)Nc1ccccc1 Amb6280040 [1,1,0,0,0,0|1,0,1]=4 113 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 Amb9667949 [1,1,0,0,0,0|1,0,1]=4 114 B15R1.128 CCCCCC(=O)Nc1ccc(N)cc1 Amb843237 [1,1,0,0,0,0|1,0,1]=4 115 B15R1.129 CCCCCC(=O)Nc1cccc(N)c1 Amb843231 [1,1,0,0,0,0|1,0,1]=4 116 B15R1.129 CCCCCC(=O)Oc1cccc(C)c1 Amb9787396 [1,1,0,0,0,0|1,0,1]=4 117 B15R1.809 CCCC(N)CN(C)Cc1ccccc1 Amb9515236 [1,1,0,0,0,0|1,0,1]=4 118 B15R1.964 CCC(C)NC\C(C)=C\c1ccccc1 Amb19891306 [1,1,0,0,0,0|1,0,0]=3 119 B15R1.964 CCC(C)NC\C(C)=C\c1ccccc1 Amb20673630 [1,1,0,0,0,0|1,0,0]=3 120 B15R1.964 CCC(N)CCN(C)Cc1ccccc1 Amb27793972 [1,1,0,0,0,0|1,0,1]=4 121 B15R1.1081 C\C(=C/c1ccccc1)CNCC(C)C Amb20673696 [1,1,0,0,0,0|1,0,0]=3 122 B15R1.1081 C\C(=C/c1ccccc1)CNCC(C)C Amb20673697 [1,1,0,0,0,0|1,0,0]=3 123 B15R1.1064 CCCCN(CCO)Cc1ccccc1 Amb27979431 [1,1,0,0,0,0|1,0,1]=4 124 B15R1.33 CCCCCC\C(=N/O)c1ccccn1 Amb29600588 [0,1,0,0,1,0|2,0,0]=4 125 B15R1.33 CCCCCNC(CC)c1ccccc1 Amb6688108 [0,1,0,0,1,0|1,0,1]=4 126 B15R1.33 CCCCCNC(CO)c1ccccc1 Amb33496252 [0,1,0,0,1,0|0,0,1]=3 127 B15R1.33 CCCCCOC(CBr)c1ccccc1 Amb33348527 [0,1,0,0,1,0|1,0,1]=4 128 B15R1.33 CCCCCOC(CI)c1ccccc1 Amb33349145 [0,1,0,0,1,0|1,0,1]=4 129 B15R1.33 NCCCCC\C(=N\O)c1ccccn1 Amb10606931 [0,1,0,0,1,0|2,0,0]=4 130 B15R1.33 NCCCCC\C(=N\O)c1cccnc1 Amb10606955 [0,1,0,0,1,0|2,0,0]=4 131 B15R1.33 NCCCCC\C(=N\O)c1ccncc1 Amb10606930 [0,1,0,0,1,0|2,0,0]=4 132 B15R1.101 CCCCCC(CC)c1ccc(O)cc1 Amb24066875 [0,1,0,0,1,0|1,0,1]=4 133 B15R1.1097 CCC(C)CNC(CO)c1ccccc1 Amb33496253 [0,1,0,0,1,0|1,0,1]=4 134 B15R1.1257 CCCC(C)NC(CO)c1ccccc1 Amb33496245 [0,1,0,0,1,0|1,0,1]=4 135 B15R1.5331 CC(C)CCNC(CO)c1ccccc1 Amb33496247 [0,1,0,0,1,0|1,0,1]=4 136 B17R1.317 CCCNCCC(CO)C(C)c1ccccc1 Amb33133793 [0,2,0,0,0,0|0,0,2]=4 137 B17R1.335 OCCN(CCCCCBr)Cc1ccccc1 Amb27622114 [0,2,0,0,0,0|1,0,1]=4 138 B17R1.335 OCCN(CCCCCS)Cc1ccccc1 Amb27958108 [0,2,0,0,0,0|1,0,1]=4 139 B15R2.15 CCC1CCC(Nc2ccccc2)C1 Amb27444014 [1,0,0,1,0,0|1,0,1]=4 140 B15R2.31 CC1CCCC(Nc2ccccc2)C1 Amb33527379 [1,0,0,1,0,0|1,0,1]=4 141 B15R2.31 CC1CCCC(Oc2ccccc2)C1 Amb28197984 [1,0,0,1,0,0|1,0,1]=4 142 B15R2.31 CC1CNC\C(=C\c2ccccc2)C1 Amb35709878 [1,0,0,1,0,0|1,0,0]=3 143 B15R2.31 CC1C\C(=C\c2ccccc2)CCN1 Amb35734546 [1,0,0,1,0,0|1,0,0]=3 144 B15R2.31 C[C@H]1CCCN(Cc2ccccc2)C1 Amb32412706 [1,0,0,1,0,0|1,0,1]=4 145 B15R2.31 NC1CCC\C(=C\c2ccccc2)C1 Amb27830479 [1,0,0,1,0,0|1,0,0]=3 146 B15R2.31 OC1COC\C(=C\c2ccccc2)C1 Amb27775795 [1,0,0,1,0,0|2,0,0]=4 147 B15R2.54 O=C1CCCCCC1c2ccccc2 Amb6357095 [1,0,0,1,0,0|0,0,2]=4 148 B15R2.54 OC1CCCCCC1c2ccccc2 Amb4035334 [1,0,0,1,0,0|0,0,2]=4 149 B15R2.54 O[C@@H]1CCCCC[C@H]1c2ccccc2 Amb25284409 [1,0,0,1,0,0|0,0,2]=4 150 B15R2.54 O[C@H]1CCCCC[C@@H]1c2ccccc2 Amb27851492 [1,0,0,1,0,0|0,0,2]=4 151 B15R2.64 CC(Nc1ccccc1)C2CCCC2 Amb19072722 [1,0,0,1,0,0|1,0,1]=4 152 B15R2.64 C\C(=C/c1ccccc1)C2CCCN2 Amb33381146 [1,0,0,1,0,0|1,0,0]=3 153 B15R2.64 C\C(=C/c1ccccc1)C2CCNC2 Amb32951242 [1,0,0,1,0,0|1,0,0]=3 154 B15R2.64 C\C(=C/c1ccccc1)C2OCCO2 Amb27175335 [1,0,0,1,0,0|2,0,0]=4 155 B15R2.64 C\C(=C\c1ccccc1)C2CCCN2 Amb27653716 [1,0,0,1,0,0|1,0,0]=3 156 B15R2.64 N=C(Nc1ccccc1)C2CCCC2 Amb28198368 [1,0,0,1,0,0|2,0,0]=4 157 B15R2.64 O=C(Cc1ccccc1)C2CCCC2 Amb17139197 [1,0,0,1,0,0|0,0,2]=4 158 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 Amb2674518 [1,0,0,1,0,0|1,0,1]=4 159 B15R2.64 OC(Cc1ccccc1)C2CCCC2 Amb17139284 [1,0,0,1,0,0|0,0,2]=4 160 B15R2.64 S=C(Nc1ccccc1)C2CCCC2 Amb27751373 [1,0,0,1,0,0|1,1,0]=4 161 B15R2.1122 CC1CCC1C(=O)Nc2ccccc2 Amb27439068 [1,0,0,1,0,0|1,0,1]=4 162 B15R2.1435 CCCC[n+]1c(C)sc2ccccc21 Amb1145302 [1,0,0,1,0,0|2,0,0]=4 163 B15R2.1435 CCCCn1c(C)cc2ccccc21 Amb8390326 [1,0,0,1,0,0|1,0,0]=3 164 B15R2.1435 CCOCn1c(C)cc2ccccc21 Amb27667553 [1,0,0,1,0,0|2,0,0]=4 165 B15R2.1435 Cc1cc2ccccc2n1CCCN Amb6356693 [1,0,0,1,0,0|2,0,0]=4 166 B15R2.1435 Cc1cc2ccccc2n1CCCO Amb7089017 [1,0,0,1,0,0|2,0,0]=4 167 B15R2.1690 C\C(=C/c1ccccc1)C2CC2CN Amb33381201 [1,0,0,1,0,0|1,0,0]=3 168 B15R2.1690 C\C(=C/c1ccccc1)[C@@H]2C[C@H]2CN Amb33381198 [1,0,0,1,0,0|1,0,0]=3 169 B15R2.1690 C\C(=C\c1ccccc1)C2CC2C=O Amb28365194 [1,0,0,1,0,0|1,0,1]=4 170 B15R2.1690 C\C(=C\c1ccccc1)C2CC2CO Amb28063822 [1,0,0,1,0,0|1,0,0]=3 171 B15R2.2167 C(=C1/CCCNCC1)/c2ccccc2 Amb27189481 [1,0,0,1,0,0|1,0,0]=3 172 B15R2.2167 C(=C1CCCCCC1)c2ccccc2 Amb10606580 [1,0,0,1,0,0|0,0,0]=2 173 B15R2.2167 c1ccc(CN2CCCCCC2)cc1 Amb1925686 [1,0,0,1,0,0|1,0,1]=4 174 B15R2.2167 c1ccc(NC2=NCCCCC2)cc1 Amb22549304 [1,0,0,1,0,0|2,0,0]=4 175 B15R2.2167 c1ccc(NC2=NCCCCC2)cc1 Amb3466931 [1,0,0,1,0,0|2,0,0]=4 176 B15R2.2167 c1ccc(NC2CCCCCC2)cc1 Amb6685075 [1,0,0,1,0,0|1,0,1]=4 177 B15R2.2167 c1ccc(OC2CCCCCC2)cc1 Amb27754766 [1,0,0,1,0,0|1,0,1]=4 178 B15R2.2167 c1ccc(\N=C2/CCCCCN2)cc1 Amb3993791 [1,0,0,1,0,0|2,0,0]=4 179 B15R2.2203 CCCNCc1cc2ccccc2o1 Amb6719091 [1,0,0,1,0,0|1,0,0]=3 180 B15R2.2203 CCNCCc1cc2ccccc2s1 Amb19649532 [1,0,0,1,0,0|1,1,0]=4 181 B15R2.2203 CNCCCc1nc2ccccc2o1 Amb32661278 [1,0,0,1,0,0|2,0,0]=4 182 B15R2.2203 CNCCCc1nc2ccccc2o1 Amb9213013 [1,0,0,1,0,0|2,0,0]=4 183 B15R2.2203 NCCCCc1cc2ccccc2o1 Amb18820049 [1,0,0,1,0,0|1,0,0]=3 184 B15R2.2203 NCCCCc1cc2ccccc2s1 Amb18782051 [1,0,0,1,0,0|1,1,0]=4 185 B15R2.2203 NCCCNc1cc2ccccc2o1 Amb28340813 [1,0,0,1,0,0|2,0,0]=4 186 B15R2.2203 OCCNCc1cc2ccccc2o1 Amb7757055 [1,0,0,1,0,0|2,0,0]=4 187 B15R2.4392 CCCc1nc(C)cc2ccccc12 Amb27665973 [1,0,0,1,0,0|1,0,1]=4 188 B15R2.7956 C[N+]1(Cc2ccccc2)CCCCC1 Amb15690857 [1,0,0,1,0,0|1,0,1]=4 189 B15R2.7956 OC1(Cc2ccccc2)CCCCC1 Amb6358864 [1,0,0,1,0,0|0,0,2]=4 190 B15R2.16446 C\C(=C/c1ccccc1)CC2CNC2 Amb33476711 [1,0,0,1,0,0|1,0,0]=3 191 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 Amb6371420 [1,0,0,1,0,0|1,0,1]=4 192 B15R2.21 O=CC1=C(c2ccccc2)CCCC1 Amb27957735 [1,0,0,1,0,0|0,0,2]=4 193 B15R2.21 OCC1CCCCC1c2ccccc2 Amb27851386 [1,0,0,1,0,0|0,0,2]=4 194 B15R2.21 OC[C@@H]1CCCCN1c2ccccc2 Amb28146635 [1,0,0,1,0,0|1,0,1]=4 195 B15R2.21 OC[C@@H]1CCCC[C@@H]1c2ccccc2 Amb27981689 [1,0,0,1,0,0|0,0,2]=4 196 B15R2.21 OC[C@@H]1CCCC[C@H]1c2ccccc2 Amb27467459 [1,0,0,1,0,0|0,0,2]=4 197 B15R2.21 OC[C@H]1CCCC[C@H]1c2ccccc2 Amb28292443 [1,0,0,1,0,0|0,0,2]=4 198 B15R2.21 O\N=C1\CCCCC1c2ccccc2 Amb4005973 [1,0,0,1,0,0|1,0,1]=4 199 B15R2.29 CC1CCC(=Cc2ccccc2)CC1 Amb4036507 [1,0,0,1,0,0|1,0,0]=3 200 B15R2.29 CC1CCC(Nc2ccccc2)CO1 Amb35698668 [1,0,0,1,0,0|1,0,1]=4 201 B15R2.38 CC1CNCC\C1=C/c2ccccc2 Amb26360462 [1,0,0,1,0,0|2,0,0]=4 202 B15R2.38 NC1CCCC\C1=C/c2ccccc2 Amb18129720 [1,0,0,1,0,0|1,0,0]=3 203 B15R2.38 O=C1CCCC\C1=C/c2ccccc2 Amb33513197 [1,0,0,1,0,0|0,0,2]=4 204 B15R2.38 OC1CCCCC1Cc2ccccc2 Amb17508845 [1,0,0,1,0,0|0,0,2]=4 205 B15R2.38 OC1CCCCC1Oc2ccccc2 Amb19050564 [1,0,0,1,0,0|1,0,1]=4 206 B15R2.38 OC1CCCC[C@@H]1Cc2ccccc2 Amb27753025 [1,0,0,1,0,0|0,0,2]=4 207 B15R2.38 O[C@@H]1CCCC[C@@H]1Cc2ccccc2 Amb27437896 [1,0,0,1,0,0|0,0,2]=4 208 B15R2.38 O[C@@H]1CCCC[C@@H]1Nc2ccccc2 Amb27199712 [1,0,0,1,0,0|1,0,1]=4 209 B15R2.38 O[C@@H]1CCCC[C@@H]1Oc2ccccc2 Amb27211314 [1,0,0,1,0,0|1,0,1]=4 210 B15R2.38 O[C@H]1CCCCC1Nc2ccccc2 Amb27853813 [1,0,0,1,0,0|1,0,1]=4 211 B15R2.44 CCCn1c(CO)nc2ccccc21 Amb1099125 [1,0,0,1,0,0|2,0,0]=4 212 B15R2.352 CCCCc1ccc2ccccc2c1 Amb9787702 [1,0,0,1,0,0|1,0,1]=4 213 B15R2.352 CCCCc1cnc2ccccc2c1 Amb27830570 [1,0,0,1,0,0|1,0,1]=4 214 B15R2.4135 OCC1(Oc2ccccc2)CCCC1 Amb17401656 [1,0,0,1,0,0|1,0,1]=4 215 B15R2.1 OCC1CCC(c2ccccc2)=NO1 Amb8392548 [0,0,0,1,1,0|2,0,0]=4 216 B15R2.1 OCC1CCC(c2ccccc2)CO1 Amb28190338 [0,0,0,1,1,0|1,0,1]=4 217 B15R2.32 O[C@@H]1[C@@H](Cl)CCC[C@H]1c2ccccc2 Amb27619223 [0,0,0,1,1,0|1,0,1]=4 218 B15R2.32 O[C@@H]1[C@H](Cl)CCC[C@@H]1c2ccccc2 Amb27448419 [0,0,0,1,1,0|1,0,1]=4 219 B15R2.32 O[C@H]1CCC=C(c2ccccc2)[C@H]1O Amb27486295 [0,0,0,1,1,0|1,0,1]=4 220 B15R2.32 O[C@H]1CCC[C@@H](c2ccccc2)[C@H]1O Amb27844175 [0,0,0,1,1,0|1,0,1]=4 221 B15R2.32 O[C@H]1CCC[C@H](c2ccccc2)[C@H]1O Amb27422550 [0,0,0,1,1,0|1,0,1]=4 222 B15R2.131 BrCC(c1ccccc1)C2CCCC2 Amb17263193 [0,0,0,1,1,0|1,0,1]=4 223 B15R2.131 ClCC(c1ccccc1)C2CCCC2 Amb17240142 [0,0,0,1,1,0|1,0,1]=4 224 B15R2.131 NCC(c1ccccc1)C2CCCC2 Amb6353780 [0,0,0,1,1,0|1,0,1]=4 225 B15R2.131 OCC(c1ccccc1)C2CCCC2 Amb3939481 [0,0,0,1,1,0|0,0,1]=3 226 B15R2.131 OCC(c1ccccc1)C2CCNC2 Amb27830492 [0,0,0,1,1,0|1,0,1]=4 227 B15R2.131 OCC(c1ccccc1)C2CCSC2 Amb30013240 [0,0,0,1,1,0|1,0,1]=4 228 B15R2.131 OCC(c1ccccc1)N2CCCC2 Amb17235105 [0,0,0,1,1,0|1,0,1]=4 229 B15R2.131 OC[C@@H](c1ccccc1)C2CCCC2 Amb27756442 [0,0,0,1,1,0|0,0,1]=3 230 B15R2.131 O\N=C(/c1ccccc1)C2CCCN2 Amb18819182 [0,0,0,1,1,0|2,0,0]=4 231 B15R2.131 O\N=C(\c1ccccc1)C2CCCC2 Amb24749408 [0,0,0,1,1,0|1,0,0]=3 232 B15R2.1327 OCC(NCC1CC1)c2ccccc2 Amb19050256 [0,0,0,1,1,0|1,0,1]=4 233 B15R2.1331 OCC(NC1CCC1)c2ccccc2 Amb33496255 [0,0,0,1,1,0|1,0,1]=4 234 B15R2.1331 O\N=C(\CC1CCC1)c2ccccc2 Amb27246272 [0,0,0,1,1,0|1,0,0]=3 235 B15R2.2172 CC1CCN1C(CO)c2ccccc2 Amb28280413 [0,0,0,1,1,0|1,0,1]=4 236 B15R2.4980 BrCC1(c2ccccc2)CCCCC1 Amb17263192 [0,0,0,1,1,0|1,0,1]=4 237 B15R2.4980 ClCC1(c2ccccc2)CCCCC1 Amb17240141 [0,0,0,1,1,0|1,0,1]=4 238 B15R2.4980 FCC1(c2ccccc2)CCCCC1 Amb26916854 [0,0,0,1,1,0|1,0,1]=4 239 B15R2.4980 NCC1(c2ccccc2)CCCCC1 Amb2570540 [0,0,0,1,1,0|1,0,1]=4 240 B15R2.4980 OCC1(c2ccccc2)CCCCC1 Amb20248731 [0,0,0,1,1,0|0,0,1]=3 241 B15R2.4980 OCC1(c2ccccc2)CCCCS1 Amb23568667 [0,0,0,1,1,0|1,0,1]=4 242 B15R2.4980 OCC1(c2ccccc2)CCCNC1 Amb26913804 [0,0,0,1,1,0|1,0,1]=4 243 B15R2.4980 OCC1(c2ccccc2)CCCNC1 Amb32656208 [0,0,0,1,1,0|1,0,1]=4 244 B15R2.4980 OCC1(c2ccccc2)CCNCC1 Amb33548208 [0,0,0,1,1,0|1,0,1]=4 245 B15R2.4980 OCC1(c2ccccc2)CCOCC1 Amb22713407 [0,0,0,1,1,0|1,0,1]=4 246 B15R2.4980 OCC1(c2ccccn2)CCCCC1 Amb25201854 [0,0,0,1,1,0|1,0,1]=4 247 B15R2.11492 CCCn1nc(CO)c2ccccc21 Amb27757411 [0,0,0,1,1,0|2,0,0]=4 248 B15R2.22222 OC[C@@H]1CC[C@@H](CO)c2ccccc21 Amb27448863 [0,0,0,1,1,0|1,0,1]=4 249 B15R2.25515 CC1CCCC1(CN)c2ccccc2 Amb28315334 [0,0,0,1,1,0|1,0,1]=4 250 B15R2.25515 C[C@H]1CCC[C@@]1(CO)c2ccccc2 Amb27420585 [0,0,0,1,1,0|0,0,1]=3 251 B15R2.25515 OCC1(c2ccccc2)CCCC1O Amb27220173 [0,0,0,1,1,0|1,0,1]=4 252 B17R2.256 OCC1CCCCCN1Cc2ccccc2 Amb27649653 [0,0,0,1,0,1|0,0,2]=4 253 B17R2.3395 O[C@@H]1CCCCC[C@H]1NCc2ccccc2 Amb27458806 [0,0,0,1,0,1|0,0,2]=4 254 B17R2.81339 CC1CCCC1(CO)NCc2ccccc2 Amb27611567 [0,0,0,1,0,1|0,0,2]=4 255 B17R2.81765 NCC1(\C=C\c2ccccc2)CCCCC1 Amb33081128 [0,0,0,1,0,1|1,0,1]=4 256 B17R2.81765 OCC1(NCc2ccccc2)CCCCC1 Amb19023504 [0,0,0,1,0,1|0,0,2]=4 257 B17R2.138116 OCC(CC1CCC1)NCc2ccccc2 Amb27951122 [0,0,0,1,0,1|0,0,2]=4 258 B17R2.2159 CCCC(Br)Cc1ccc2ccccc2c1 Amb18548970 [0,1,0,1,0,0|1,0,1]=4 259 B17R2.12731 Cc1ccc(OC2(CO)CCCCC2)cc1 Amb17405586 [0,1,0,1,0,0|1,0,1]=4 260 B17R2.12731 OCC1(Oc2ccc(Cl)cc2)CCCCC1 Amb17410315 [0,1,0,1,0,0|1,0,1]=4 261 B17R2.12731 OCC1(Oc2ccc(F)cc2)CCCCC1 Amb17406564 [0,1,0,1,0,0|1,0,1]=4 262 B17R2.6265 CCCCn1c(CO)nc2cc(C)ccc21 Amb18618394 [0,1,0,1,0,0|2,0,0]=4 263 B17R2.6265 CCCCn1c(CO)nc2cc(Cl)ccc21 Amb18618060 [0,1,0,1,0,0|2,0,0]=4 264 B17R2.6265 CCCCn1c(CO)nc2cc(F)ccc21 Amb18102176 [0,1,0,1,0,0|2,0,0]=4 265 B17R2.6265 CCCCn1c(CO)nc2cc(N)ccc21 Amb13777464 [0,1,0,1,0,0|2,0,0]=4 266 B17R2.6265 CCCCn1c(CO)nc2cc(N)ccc21 Amb17727041 [0,1,0,1,0,0|2,0,0]=4 267 B17R2.81764 Cc1cccc(OC2(CO)CCCCC2)c1 Amb17405585 [0,1,0,1,0,0|1,0,1]=4 268 B17R2.81764 OCC1(Oc2cccc(Cl)c2)CCCCC1 Amb17410314 [0,1,0,1,0,0|1,0,1]=4 269 B17R2.81764 OCC1(Oc2cccc(F)c2)CCCCC1 Amb17406563 [0,1,0,1,0,0|1,0,1]=4 270 B17R2.26 CN[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O Amb30531005 [0,1,0,1,0,0|1,0,1]=4 271 B17R2.4602 CCCn1nnc(CO)c1-c2ccccc2 Amb17534582 [0,1,0,1,0,0|2,0,0]=4 272 B17R2.5747 CCCCCn1c(CN)nc2ccccc21 Amb17092060 [0,1,0,1,0,0|2,0,0]=4 273 B17R2.5747 CCCCCn1c(CO)nc2ccccc21 Amb1212393 [0,1,0,1,0,0|1,0,0]=3 274 B17R2.5747 CCOCCn1c(CO)nc2ccccc21 Amb1557859 [0,1,0,1,0,0|2,0,0]=4 275 B17R2.5747 COCCCn1c(CO)nc2ccccc21 Amb10976500 [0,1,0,1,0,0|2,0,0]=4 276 B17R2.5879 CCCCNCC1COc2ccccc2O1 Amb6729276 [0,1,0,1,0,0|1,0,1]=4 277 B17R2.19956 N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O Amb30531011 [0,1,0,1,0,0|1,0,1]=4 278 B17R2.81746 NC(c1ccccc1)C2(CO)CCCCC2 Amb28594181 [0,1,0,1,0,0|0,0,2]=4 279 B17R2.81746 NC(c1ccccc1)C2(CO)CCCCC2 Amb32663227 [0,1,0,1,0,0|0,0,2]=4 280 B17R2.2182 OCCN(CCC1CC1)Cc2ccccc2 Amb27216577 [0,1,0,1,0,0|1,0,1]=4 281 B17R2.6435 CCCCn1c(CCO)nc2ccccc21 Amb1971171 [0,1,0,1,0,0|2,0,0]=4 282 B17R2.6435 CCCCn1c(COC)nc2ccccc21 Amb1219131 [0,1,0,1,0,0|2,0,0]=4 283 B17R2.12072 CCCCCc1nc(O)c2ccccc2n1 Amb33249887 [0,1,0,1,0,0|1,0,1]=4 284 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 Amb28381490 [0,1,0,1,0,0|1,0,1]=4 285 B17R2.6436 CCCCn1c(C(C)O)nc2ccccc21 Amb2470256 [0,1,0,1,0,0|2,0,0]=4 286 B17R2.1273 CC(C)CCn1c(CO)nc2ccccc21 Amb1555465 [0,1,0,1,0,0|2,0,0]=4 287 B17R2.106317 Cc1ccccc1OC2(CO)CCCCC2 Amb17405584 [0,1,0,1,0,0|1,0,1]=4 288 B17R2.106317 OCC1(Oc2ccccc2Cl)CCCCC1 Amb17410313 [0,1,0,1,0,0|1,0,1]=4 289 B17R2.106317 OCC1(Oc2ccccc2F)CCCCC1 Amb17406562 [0,1,0,1,0,0|1,0,1]=4 290 B17R2.1274 CCC(C)Cn1c(CO)nc2ccccc21 Amb1555026 [0,1,0,1,0,0|2,0,0]=4 291 B17R3.1829 c1ccc2c(c1)N[C@@H]3CCCCC[C@@H]3O2 Amb23536468 [0,0,0,2,0,0|1,0,1]=4 292 B17R3.1917 C1=C(N2CCCC2)CCc3ccccc31 Amb10554852 [0,0,0,2,0,0|2,0,0]=4 293 B13R1.24 CCCCCC(=O)c1ccccc1 Amb6608934 [1,0,0,0,1,0|0,0,1]=3 294 B13R1.24 CCCCCC(=O)c1ccccn1 Amb6301473 [1,0,0,0,1,0|1,0,1]=4 295 B13R1.24 CCCCCC(=O)c1cccnc1 Amb18184182 [1,0,0,0,1,0|1,0,1]=4 296 B13R1.24 CCCCCC(=O)c1ccncc1 Amb18804653 [1,0,0,0,1,0|1,0,1]=4 297 B13R1.24 CCCCCC(N)c1ccccc1 Amb7764725 [1,0,0,0,1,0|1,0,1]=4 298 B13R1.24 CCCCCC(O)c1ccccc1 Amb9619574 [1,0,0,0,1,0|0,0,1]=3 299 B13R1.24 CCCCCC(S)c1ccccc1 Amb32788166 [1,0,0,0,1,0|0,1,1]=4 300 B13R1.24 CCCCNC(C)c1ccccc1 Amb33548283 [1,0,0,0,1,0|1,0,1]=4 301 B13R1.24 CCCCNC(C)c1ccccc1 Amb4313706 [1,0,0,0,1,0|1,0,1]=4 302 B13R1.24 CCCCOC(=O)c1ccccc1 Amb6357093 [1,0,0,0,1,0|1,0,1]=4 303 B13R1.24 CCCNCC(C)c1ccccc1 Amb2119487 [1,0,0,0,1,0|1,0,1]=4 304 B13R1.24 CCCNCC(C)c1ccccc1 Amb6719090 [1,0,0,0,1,0|1,0,1]=4 305 B13R1.24 CCCSCC(=O)c1ccccc1 Amb9668634 [1,0,0,0,1,0|1,0,1]=4 306 B13R1.24 CCSCCC(=O)c1ccccc1 Amb32683148 [1,0,0,0,1,0|1,0,1]=4 307 B13R1.24 CN(CCCCN)c1ccccc1 Amb5782374 [1,0,0,0,1,0|2,0,0]=4 308 B13R1.24 CN(CCCCO)c1ccccc1 Amb9370155 [1,0,0,0,1,0|2,0,0]=4 309 B13R1.24 CSCCCC(=O)c1ccccc1 Amb18321257 [1,0,0,0,1,0|1,0,1]=4 310 B13R1.24 C\C(=C/CCCN)c1ccccc1 Amb18065585 [1,0,0,0,1,0|1,0,1]=4 311 B13R1.24 O=C(CCCCCl)c1ccccc1 Amb6301784 [1,0,0,0,1,0|1,0,1]=4 312 B13R1.156 C\C(=C/c1ccco1)CCCCN Amb33311257 [1,0,0,0,1,0|2,0,0]=4 313 B13R1.26 CCCNC(CO)c1ccccc1 Amb18180973 [1,0,0,0,1,0|1,0,1]=4 314 B13R1.26 NCCC\C(=N/O)c1ccccc1 Amb6892138 [1,0,0,0,1,0|2,0,0]=4 315 B13R1.26 NCCC\C(=N\O)c1ccccc1 Amb33299882 [1,0,0,0,1,0|2,0,0]=4 316 B15R1.78 CCCCCC(=O)NCc1ccccc1 Amb3360906 [1,0,0,0,0,1|0,0,2]=4 317 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [1,0,0,0,0,1|0,0,2]=4 318 B15R1.78 CCCCC[C@@H](C)NCc1ccccc1 Amb27774019 [1,0,0,0,0,1|0,0,2]=4 319 B15R1.78 CCCCOC(=O)\C=C\c1ccccc1 Amb8392073 [1,0,0,0,0,1|1,0,1]=4 320 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 Amb27767129 [1,0,0,0,0,1|0,0,2]=4