0 B14R1.716 CCC(=O)CCCSc1ccccc1 Amb32682990 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.716 CCC(=O)NCNCc1ccccc1 Amb28252142 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.716 CCC(=O)OCCOc1ccccc1 Amb4005896 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.716 CCC(=O)\C=C/NCc1ccccc1 Amb27965467 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb1922704 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb6864747 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.716 CCS(=O)CCNCc1ccccc1 Amb28255222 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.716 CNC(=O)CCOCc1ccccc1 Amb26361930 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.716 CNC(=O)NCCNc1ccccc1 Amb27764648 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.716 COC(=O)CCCSc1ccccc1 Amb8950459 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.716 COC(=O)NCC#Cc1ccccc1 Amb24374036 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.716 COC(=O)N\C=C\Sc1ccccc1 Amb28052640 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.716 N=C(NN)NC\C=C\c1ccccc1 Amb24515139 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.716 NCC(=O)NCCCc1ccccc1 Amb5783138 [0,0,0,0,0,0|2,0,2]=4 20 B14R1.716 NCC(=O)NCCOc1ccccc1 Amb17235931 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.716 O=C(CBr)NCCCc1ccccc1 Amb17323643 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.716 O=C(CBr)NCCOc1ccccc1 Amb17333035 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.716 O=C(CCl)NCC#Cc1ccccc1 Amb19514326 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.716 O=C(CCl)NCCCc1ccccc1 Amb1103589 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.716 O=C(CCl)NCCOc1ccccc1 Amb6336217 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.716 O=C(CCl)NCCSc1ccccc1 Amb1657260 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.716 O=C(CCl)NC\C=C\c1ccccc1 Amb31158323 [0,0,0,0,0,0|2,0,0]=2 28 B14R1.716 O=C(CCl)OCCCc1ccccc1 Amb3372153 [0,0,0,0,0,0|1,0,2]=3 29 B14R1.716 O=C(CO)CCOCc1ccccc1 Amb28139815 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.716 O=CC(=O)OCC#Cc1ccccc1 Amb28194554 [0,0,0,0,0,0|1,0,3]=4 31 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,0,0,0,0,0|1,0,1]=3 34 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [1,0,0,0,0,0|1,0,1]=3 35 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [1,0,0,0,0,0|0,0,3]=4 36 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.28 NCCSC\C=C\c1ccccc1 Amb9727179 [1,0,0,0,0,0|1,1,1]=4 38 B13R1.28 OCC=C=C\C=C\c1ccccc1 Amb27651709 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.28 OCCNC\C=C\c1ccccc1 Amb6864512 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.337 CC(=N)NC\C=C\c1ccccc1 Amb24366027 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [1,0,0,0,0,0|1,0,2]=4 43 B13R1.337 CC(=O)CCCSc1ccccc1 Amb9283938 [1,0,0,0,0,0|2,0,1]=4 44 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.337 CC(=O)CCNCc1ccccc1 Amb8388282 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.337 CC(=O)CCSCc1ccccc1 Amb9224165 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.337 CC(=O)CC\C=C\c1ccccc1 Amb32952075 [1,0,0,0,0,0|1,0,0]=2 49 B13R1.337 CC(=O)NCC#Cc1ccccc1 Amb25119168 [1,0,0,0,0,0|1,0,2]=4 50 B13R1.337 CC(=O)NCCNc1ccccc1 Amb18933018 [1,0,0,0,0,0|2,0,1]=4 51 B13R1.337 CC(=O)NCCOc1ccccc1 Amb22524794 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.337 CC(=O)NC\C=C\c1ccccc1 Amb24452225 [1,0,0,0,0,0|1,0,0]=2 53 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [1,0,0,0,0,0|1,0,1]=3 54 B13R1.337 CC(=O)OCOCc1ccccc1 Amb27879863 [1,0,0,0,0,0|1,0,1]=3 55 B13R1.337 CC(=O)OC\C=C\c1ccccc1 Amb30640111 [1,0,0,0,0,0|0,0,0]=1 56 B13R1.337 CC(=O)OC\C=C\c1cccnc1 Amb9804427 [1,0,0,0,0,0|1,0,0]=2 57 B13R1.337 CC(=O)O\N=C\Nc1ccccn1 Amb27415765 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.337 CC(=O)\C=C\C=C\c1ccccc1 Amb27605732 [1,0,0,0,0,0|1,0,1]=3 59 B13R1.337 CC(=O)\C=C\C=C\c1ccccn1 Amb28292575 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.337 CC(=O)\C=C\C=C\c1cccnc1 Amb27946877 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.337 CC(=O)\C=C\C=C\c1ccncc1 Amb31161650 [1,0,0,0,0,0|2,0,1]=4 62 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb19890403 [1,0,0,0,0,0|2,0,1]=4 63 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb2118507 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.337 CC(N)CC\C=C\c1ccccc1 Amb32954844 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.337 CC(O)CC\C=C\c1ccccc1 Amb18808901 [1,0,0,0,0,0|1,0,2]=4 66 B13R1.337 CS(=O)\C=C\C=C\c1ccccc1 Amb2612174 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.337 C[C@@H](N)CC\C=C\c1ccccc1 Amb33080794 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.337 C[C@@H](O)CC\C=C\c1ccccc1 Amb33080791 [1,0,0,0,0,0|1,0,2]=4 69 B13R1.337 C[C@H](N)CC\C=C\c1ccccc1 Amb33080760 [1,0,0,0,0,0|2,0,1]=4 70 B13R1.337 C[C@H](O)CC\C=C\c1ccccc1 Amb33081535 [1,0,0,0,0,0|1,0,2]=4 71 B13R1.337 N=C(N)NC\C=C/c1ccccc1 Amb27778507 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.337 N=C(N)SC\C=C/c1ccccc1 Amb23556552 [1,0,0,0,0,0|2,1,0]=4 73 B13R1.337 NC(=O)NC\C=C\c1ccccc1 Amb24407866 [1,0,0,0,0,0|2,0,0]=3 74 B13R1.337 NC(=O)OCCCc1ccccc1 Amb8629108 [1,0,0,0,0,0|1,0,2]=4 75 B13R1.337 NC(=O)\C=C\C=C\c1ccccc1 Amb27204218 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.337 O=C(Cl)OCC#Cc1ccccc1 Amb33297045 [1,0,0,0,0,0|1,0,2]=4 77 B13R1.337 O=C(Cl)OCCOc1ccccc1 Amb4135975 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.337 O=C(Cl)\C=C\C=C\c1ccccc1 Amb17143115 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.337 O=C(O)CC\C=C\c1ccccc1 Amb17233184 [1,0,0,0,0,0|2,0,0]=3 80 B13R1.337 O=C(O)CS\C=C\c1ccccc1 Amb2725413 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 Amb28068456 [1,0,0,0,0,0|2,0,1]=4 82 B15R1.26 CCC(=O)CCCSc1ccc(Br)cc1 Amb32682983 [0,1,0,0,0,0|2,0,1]=4 83 B15R1.26 CCC(=O)CCCSc1ccc(C)cc1 Amb32682980 [0,1,0,0,0,0|2,0,1]=4 84 B15R1.26 CCC(=O)CCCSc1ccc(Cl)cc1 Amb32682963 [0,1,0,0,0,0|2,0,1]=4 85 B15R1.26 CCC(=O)CCCSc1ccc(F)cc1 Amb32682992 [0,1,0,0,0,0|2,0,1]=4 86 B15R1.452 CCC(CO)NC\C=C\c1ccccc1 Amb838038 [0,1,0,0,0,0|1,0,2]=4 87 B15R1.741 COC(=O)CC(=O)\C=C\c1ccccc1 Amb34913397 [0,1,0,0,0,0|2,0,1]=4 88 B15R1.778 CCCC(=O)CCNCc1ccccc1 Amb33131468 [0,1,0,0,0,0|2,0,1]=4 89 B15R1.778 CCCC(=O)OCCCc1ccccc1 Amb22732786 [0,1,0,0,0,0|0,0,2]=3 90 B15R1.778 CCCC(=O)OCCOc1ccccc1 Amb21964300 [0,1,0,0,0,0|1,0,1]=3 91 B15R1.778 CCCC(=O)OC\C=C\c1ccccc1 Amb6297856 [0,1,0,0,0,0|0,0,0]=1 92 B15R1.778 CCOC(=O)CCCOc1ccccc1 Amb22730739 [0,1,0,0,0,0|2,0,1]=4 93 B15R1.778 CCOC(=O)CCCSc1ccccc1 Amb19888704 [0,1,0,0,0,0|2,0,1]=4 94 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb1930738 [0,1,0,0,0,0|2,0,1]=4 95 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb33280205 [0,1,0,0,0,0|2,0,1]=4 96 B15R1.778 CCOC(=O)CCOCc1ccccc1 Amb9026131 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.778 CNCC(=O)NCCCc1ccccc1 Amb24115171 [0,1,0,0,0,0|1,0,2]=4 98 B15R1.778 COCC(=O)CCNCc1ccccc1 Amb33131395 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.778 N#CCC(=O)OCCCc1ccccc1 Amb17210530 [0,1,0,0,0,0|0,0,3]=4 100 B15R1.778 N#CCC(=O)OCCOc1ccccc1 Amb17210529 [0,1,0,0,0,0|1,0,2]=4 101 B15R1.778 NCCC(=O)NCCCc1ccccc1 Amb5785069 [0,1,0,0,0,0|1,0,2]=4 102 B15R1.778 NCCC(=O)NCCOc1ccccc1 Amb17239848 [0,1,0,0,0,0|2,0,1]=4 103 B15R1.778 O=C(CCCl)NCCCc1ccccc1 Amb9330447 [0,1,0,0,0,0|1,0,2]=4 104 B15R1.778 O=C(CCCl)NCCOc1ccccc1 Amb17326988 [0,1,0,0,0,0|2,0,1]=4 105 B15R1.778 O=C(CCCl)NCCSc1ccccc1 Amb10975200 [0,1,0,0,0,0|2,0,1]=4 106 B15R1.942 CCC(=O)CCCSc1cccc(Br)c1 Amb32682979 [0,1,0,0,0,0|2,0,1]=4 107 B15R1.942 CCC(=O)CCCSc1cccc(C)c1 Amb32682954 [0,1,0,0,0,0|2,0,1]=4 108 B15R1.942 CCC(=O)CCCSc1cccc(Cl)c1 Amb32682989 [0,1,0,0,0,0|2,0,1]=4 109 B15R1.942 CCC(=O)CCCSc1cccc(F)c1 Amb32682993 [0,1,0,0,0,0|2,0,1]=4 110 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 Amb2720741 [0,1,0,0,0,0|2,0,1]=4 111 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 Amb684817 [0,1,0,0,0,0|3,0,0]=4 112 B15R1.964 CCC(=O)NNC(=O)Cc1ccccc1 Amb3097319 [0,1,0,0,0,0|2,0,1]=4 113 B15R1.964 CCC(C)NC\C(C)=C\c1ccccc1 Amb19891306 [0,1,0,0,0,0|2,0,1]=4 114 B15R1.964 CCC(C)NC\C(C)=C\c1ccccc1 Amb20673630 [0,1,0,0,0,0|2,0,1]=4 115 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 Amb6345853 [0,1,0,0,0,0|3,0,0]=4 116 B15R1.964 NCC(=O)NCC(=O)Nc1ccccc1 Amb5782450 [0,1,0,0,0,0|3,0,0]=4 117 B15R1.964 O=C(CCl)NCC(=O)Nc1ccccc1 Amb24115196 [0,1,0,0,0,0|3,0,0]=4 118 B15R1.1091 CCC(=O)CCCSc1ccccc1Br Amb32682985 [0,1,0,0,0,0|2,0,1]=4 119 B15R1.1091 CCC(=O)CCCSc1ccccc1C Amb32682960 [0,1,0,0,0,0|2,0,1]=4 120 B15R1.1091 CCC(=O)CCCSc1ccccc1Cl Amb32682987 [0,1,0,0,0,0|2,0,1]=4 121 B15R1.1091 CCC(=O)CCCSc1ccccc1F Amb32682991 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.1321 CCC(=O)C(C)COCc1ccccc1 Amb25307969 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.1321 CCC(=O)[C@@H](C)COCc1ccccc1 Amb26622039 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.3664 C=C(C)C(=O)OCCCc1ccccc1 Amb17934136 [0,1,0,0,0,0|0,0,3]=4 125 B15R1.3664 CC(C)C(=O)CCNCc1ccccc1 Amb33131383 [0,1,0,0,0,0|2,0,1]=4 126 B15R1.3664 CC(C)C(=O)OCCOc1ccccc1 Amb4018563 [0,1,0,0,0,0|1,0,1]=3 127 B15R1.3664 CC(Cl)C(=O)NCCCc1ccccc1 Amb9241599 [0,1,0,0,0,0|1,0,2]=4 128 B15R1.3664 CN(C)C(=O)CC\C=C\c1ccccc1 Amb24110297 [0,1,0,0,0,0|2,0,0]=3 129 B15R2.4 C=C(CC)Cn1ccc2ccccc21 Amb28126097 [0,0,0,1,0,0|3,0,0]=4 130 B15R2.4 CCC(=O)NC1CCc2ccccc21 Amb8340525 [0,0,0,1,0,0|1,0,2]=4 131 B15R2.4 CCC(=O)Nc1csc2ccccc12 Amb27872371 [0,0,0,1,0,0|2,0,1]=4 132 B15R2.4 CCC(=O)Nn1cnc2ccccc21 Amb25245878 [0,0,0,1,0,0|3,0,0]=4 133 B15R2.4 COC(=O)Cn1ccc2ccccc21 Amb3703082 [0,0,0,1,0,0|3,0,0]=4 134 B15R2.4 NCC(=O)NC1C=Cc2ccccc21 Amb26383963 [0,0,0,1,0,0|2,0,0]=3 135 B15R2.4 NCC(=O)Nn1ccc2ccccc21 Amb27259484 [0,0,0,1,0,0|3,0,0]=4 136 B15R2.4 NNC(=O)CC1C=Cc2ccccc21 Amb27407249 [0,0,0,1,0,0|3,0,0]=4 137 B15R2.4 O=C(CCl)OC1COc2ccccc21 Amb27387949 [0,0,0,1,0,0|2,0,1]=4 138 B15R2.17 CCc1cccc(-c2ccccc2)[o+]1 Amb4019339 [0,0,0,1,0,0|1,0,2]=4 139 B15R2.17 CCc1cccc(-c2ccccc2)c1 Amb4019290 [0,0,0,1,0,0|2,0,1]=4 140 B15R2.17 CCc1cccc(-c2ccccc2)n1 Amb4019340 [0,0,0,1,0,0|2,0,1]=4 141 B15R2.29 CC1CCC(=Cc2ccccc2)CC1 Amb4036507 [0,0,0,1,0,0|2,0,1]=4 142 B15R2.29 O=C1CCC(=Nc2ccccc2)CC1 Amb27228881 [0,0,0,1,0,0|2,0,0]=3 143 B15R2.29 O=C1CCC(Cc2ccccc2)CC1 Amb13777318 [0,0,0,1,0,0|1,0,2]=4 144 B15R2.29 O=C1CCC(Cc2ccccc2)CN1 Amb27388034 [0,0,0,1,0,0|1,0,2]=4 145 B15R2.29 O=C1CCC(Oc2ccccc2)CC1 Amb25825595 [0,0,0,1,0,0|2,0,1]=4 146 B15R2.29 O=C1CCC(Sc2ccccc2)CC1 Amb26855446 [0,0,0,1,0,0|2,0,1]=4 147 B15R2.29 O=C1CCN(Cc2ccccc2)CC1 Amb2684677 [0,0,0,1,0,0|2,0,1]=4 148 B15R2.29 O=C1NCC(Cc2ccccc2)CO1 Amb28346309 [0,0,0,1,0,0|1,0,2]=4 149 B15R2.29 O=C1OCC(Nc2ccccc2)CO1 Amb28121065 [0,0,0,1,0,0|2,0,1]=4 150 B15R2.32 CC1C(=O)CCNC1c2ccccc2 Amb1778613 [0,0,0,1,0,0|2,0,1]=4 151 B15R2.32 C[C@@H]1C(=O)CCN[C@H]1c2ccccc2 Amb27199721 [0,0,0,1,0,0|2,0,1]=4 152 B15R2.32 O=C1OCC=C(c2ccccc2)C1O Amb28455649 [0,0,0,1,0,0|1,0,0]=2 153 B15R2.283 O=C1CC(\C=C\c2ccccc2)CN1 Amb33083000 [0,0,0,1,0,0|2,0,0]=3 154 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [0,0,0,1,0,0|1,0,2]=4 155 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [0,0,0,1,0,0|1,0,2]=4 156 B15R2.283 O=C1CCC(OCc2ccccc2)C1 Amb27465409 [0,0,0,1,0,0|2,0,1]=4 157 B15R2.283 O=C1CCC(\C=C\c2ccccc2)N1 Amb26436597 [0,0,0,1,0,0|1,0,0]=2 158 B15R2.283 O=C1CC[C@@H](COc2ccccc2)N1 Amb27960874 [0,0,0,1,0,0|2,0,1]=4 159 B15R2.283 O=C1NC(\C=C\c2ccccc2)CO1 Amb33081796 [0,0,0,1,0,0|2,0,0]=3 160 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [0,0,0,1,0,0|1,0,2]=4 161 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [0,0,0,1,0,0|2,0,1]=4 162 B15R2.283 O=C1NCC(COc2ccccc2)O1 Amb25861694 [0,0,0,1,0,0|2,0,1]=4 163 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [0,0,0,1,0,0|2,0,1]=4 164 B15R2.283 O=C1NCC(\C=C\c2ccccc2)O1 Amb32951534 [0,0,0,1,0,0|1,0,0]=2 165 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [0,0,0,1,0,0|2,0,1]=4 166 B15R2.283 OC1CCC(\C=C\c2ccccc2)O1 Amb22752563 [0,0,0,1,0,0|0,0,2]=3 167 B15R2.283 O[C@H]1CC[C@H](\C=C\c2ccccc2)C1 Amb27650454 [0,0,0,1,0,0|1,0,2]=4 168 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,0,0,1,0,0|2,0,1]=4 169 B15R2.548 O=C1CCC(c2ccccc2)CCN1 Amb9316852 [0,0,0,1,0,0|1,0,2]=4 170 B15R2.548 O=C1CCC(c2ccccc2)CCO1 Amb22337540 [0,0,0,1,0,0|0,0,2]=3 171 B15R2.548 O=C1CCCC(c2ccccc2)CC1 Amb26602313 [0,0,0,1,0,0|1,0,2]=4 172 B15R2.597 CC1C(=O)NC1SCc2ccccc2 Amb27783354 [0,0,0,1,0,0|2,0,1]=4 173 B15R2.597 C[C@@H]1C(=O)N[C@@H]1\C=C\c2ccccc2 Amb27614249 [0,0,0,1,0,0|1,0,0]=2 174 B15R2.597 C[C@H]1C(=O)N[C@H]1\C=C\c2ccccc2 Amb28287731 [0,0,0,1,0,0|1,0,0]=2 175 B15R2.597 NC1C(=O)NC1\C=C\c2ccccc2 Amb27849882 [0,0,0,1,0,0|2,0,0]=3 176 B15R2.597 O=C1NC(\C=C\c2ccccc2)C1O Amb28408992 [0,0,0,1,0,0|2,0,0]=3 177 B15R2.597 O=C1N[C@@H](\C=C\c2ccccc2)[C@H]1O Amb27841632 [0,0,0,1,0,0|2,0,0]=3 178 B15R2.1561 CCC(O)C1C\C1=C/c2ccccc2 Amb28190325 [0,0,0,1,0,0|1,0,2]=4 179 B15R2.1621 CCC(=O)NC1CC1c2ccccc2 Amb25141389 [0,0,0,1,0,0|1,0,2]=4 180 B15R2.4083 CC1C(=O)CCC1Sc2ccccc2 Amb27181526 [0,0,0,1,0,0|2,0,1]=4 181 B15R2.4083 CC1C(=O)CCN1Cc2ccccc2 Amb17609111 [0,0,0,1,0,0|2,0,1]=4 182 B15R2.4083 CC1C(=O)C[N-]\[N+]1=C\c2ccccc2 Amb2613053 [0,0,0,1,0,0|3,0,0]=4 183 B15R2.4083 CC1C(=O)NCC1Cc2ccccc2 Amb28056220 [0,0,0,1,0,0|1,0,2]=4 184 B15R2.4083 CC1C(=O)OCC1Nc2ccccc2 Amb27813303 [0,0,0,1,0,0|1,0,1]=3 185 B15R2.4083 CN1C(=O)OCC1Cc2ccccc2 Amb18559293 [0,0,0,1,0,0|1,0,2]=4 186 B15R2.4083 CN1C(=O)ON=C1Cc2ccccc2 Amb28070482 [0,0,0,1,0,0|2,0,1]=4 187 B15R2.4083 O=C1OC[C@@H](Cc2ccccc2)[C@H]1O Amb27184414 [0,0,0,1,0,0|1,0,2]=4 188 B15R2.4083 O=C1OC\C(=N/c2ccccc2)C1Cl Amb25678608 [0,0,0,1,0,0|2,0,0]=3 189 B15R2.7945 NC1(CC\C=C\c2ccccc2)CC1 Amb33081485 [0,0,0,1,0,0|2,0,1]=4 190 B15R2.7945 OC1(CC\C=C\c2ccccc2)CC1 Amb33081108 [0,0,0,1,0,0|1,0,2]=4 191 B15R2.27836 C(=C\c1ccccc1)/COC2CNC2 Amb32941292 [0,0,0,1,0,0|2,0,1]=4 192 B15R2.79765 CCC(=O)C1COCc2ccccc21 Amb28119530 [0,0,0,1,0,0|2,0,1]=4 193 B15R2.79765 CCC(=O)N1CCCc2ccccc21 Amb2754748 [0,0,0,1,0,0|1,0,2]=4 194 B15R2.79765 CCC(=O)N1CCOc2ccccc21 Amb18400325 [0,0,0,1,0,0|2,0,1]=4 195 B15R2.79765 CCC(=O)c1cccc2ccccc12 Amb8471601 [0,0,0,1,0,0|1,0,1]=3 196 B15R2.79765 CCC(=O)c1cccc2cccnc12 Amb25814485 [0,0,0,1,0,0|2,0,1]=4 197 B15R2.79765 CCC(=O)c1cccc2ccncc12 Amb26585974 [0,0,0,1,0,0|2,0,1]=4 198 B15R2.79765 CCC(=O)c1cccc2cnccc12 Amb19057909 [0,0,0,1,0,0|2,0,1]=4 199 B15R2.79765 CCC(=O)c1cccc2ncccc12 Amb26512501 [0,0,0,1,0,0|2,0,1]=4 200 B15R2.79765 CCC(=O)c1ccnc2ccccc12 Amb26980615 [0,0,0,1,0,0|2,0,1]=4 201 B15R2.79765 CCC(=O)c1ncnc2ccccc12 Amb27635881 [0,0,0,1,0,0|3,0,0]=4 202 B15R2.79765 CNC(=O)c1cccc2ccccc12 Amb13957947 [0,0,0,1,0,0|2,0,1]=4 203 B15R2.79765 COC(=O)c1cccc2ccccc12 Amb33531516 [0,0,0,1,0,0|2,0,1]=4 204 B15R2.79765 COC(=O)c1nccc2ccccc12 Amb19070706 [0,0,0,1,0,0|3,0,0]=4 205 B15R2.79765 COC(=O)c1nccc2ccccc12 Amb30625742 [0,0,0,1,0,0|3,0,0]=4 206 B15R2.79765 NCC(=O)c1cccc2ccccc12 Amb13952115 [0,0,0,1,0,0|2,0,1]=4 207 B15R2.79765 NCC(=O)c1cccc2ccccc12 Amb17940589 [0,0,0,1,0,0|2,0,1]=4 208 B15R2.79765 O=C(CBr)c1cccc2ccccc12 Amb508150 [0,0,0,1,0,0|2,0,1]=4 209 B15R2.79765 O=C(CBr)c1nccc2ccccc12 Amb25834980 [0,0,0,1,0,0|3,0,0]=4 210 B15R2.79765 O=C(CCl)c1cccc2ccccc12 Amb8471605 [0,0,0,1,0,0|2,0,1]=4 211 B15R2.79765 O=C(CF)c1cccc2ccccc12 Amb27611881 [0,0,0,1,0,0|2,0,1]=4 212 B15R2.79765 O=C(CO)c1cccc2ccccc12 Amb23556451 [0,0,0,1,0,0|2,0,1]=4 213 B13R1.718 C=C(CC)CNCc1ccccc1 Amb27951926 [0,0,0,0,1,0|2,0,1]=4 214 B13R1.718 CCC(=O)CNCc1ccccc1 Amb33131575 [0,0,0,0,1,0|1,0,1]=3 215 B13R1.718 CCC(=O)COCc1ccccc1 Amb18186198 [0,0,0,0,1,0|1,0,1]=3 216 B13R1.718 CCC(=O)CSCc1ccccc1 Amb4165971 [0,0,0,0,1,0|1,0,1]=3 217 B13R1.718 CCC(=O)NCCc1ccncc1 Amb24073074 [0,0,0,0,1,0|2,0,1]=4 218 B13R1.718 CCC(=O)N\N=C\c1ccccc1 Amb6775189 [0,0,0,0,1,0|2,0,0]=3 219 B13R1.718 CCC(=O)N\N=C\c1ccncc1 Amb6775477 [0,0,0,0,1,0|3,0,0]=4 220 B13R1.718 CCC(=O)OCCc1ccccc1 Amb6357956 [0,0,0,0,1,0|0,0,1]=2 221 B13R1.718 CCC(=O)\C=N\Nc1ccccc1 Amb25979225 [0,0,0,0,1,0|2,0,1]=4 222 B13R1.718 CNC(=O)CCCc1ccccc1 Amb3886751 [0,0,0,0,1,0|1,0,2]=4 223 B13R1.718 CNC(=O)CNCc1ccccc1 Amb32674790 [0,0,0,0,1,0|2,0,1]=4 224 B13R1.718 CNC(=O)CNCc1ccccc1 Amb6707691 [0,0,0,0,1,0|2,0,1]=4 225 B13R1.718 CNC(=O)C\C=C\c1ccccc1 Amb25857434 [0,0,0,0,1,0|1,0,0]=2 226 B13R1.718 CNC(=O)NCCc1ccccc1 Amb2132768 [0,0,0,0,1,0|2,0,1]=4 227 B13R1.718 CNC(=O)O\N=C\c1ccccc1 Amb27827371 [0,0,0,0,1,0|2,0,0]=3 228 B13R1.718 CNC(=O)\C=C\Sc1ccccc1 Amb27443864 [0,0,0,0,1,0|2,0,1]=4 229 B13R1.718 COC(=O)C=C=Cc1ccccc1 Amb27635444 [0,0,0,0,1,0|1,0,2]=4 230 B13R1.718 COC(=O)CCCc1ccccc1 Amb2720838 [0,0,0,0,1,0|1,0,2]=4 231 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,0,0,0,1,0|2,0,1]=4 232 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,0,0,0,1,0|2,0,1]=4 233 B13R1.718 COC(=O)CNCc1ccccc1 Amb6687129 [0,0,0,0,1,0|2,0,1]=4 234 B13R1.718 COC(=O)COCc1ccccc1 Amb7755418 [0,0,0,0,1,0|2,0,1]=4 235 B13R1.718 COC(=O)N\C=C\c1cccnc1 Amb27751361 [0,0,0,0,1,0|3,0,0]=4 236 B13R1.718 COC(=O)N\N=C\c1ccccc1 Amb2411289 [0,0,0,0,1,0|3,0,0]=4 237 B13R1.718 COC(=O)\C=C\Cc1ccccc1 Amb30647398 [0,0,0,0,1,0|1,0,2]=4 238 B13R1.718 COC(=O)\C=C\Nc1ccccc1 Amb2386662 [0,0,0,0,1,0|2,0,1]=4 239 B13R1.718 COC(=O)\C=C\Sc1ccccc1 Amb33473610 [0,0,0,0,1,0|2,0,1]=4 240 B13R1.718 C\C(=C/C=C/c1ccccc1)CBr Amb28140679 [0,0,0,0,1,0|2,0,1]=4 241 B13R1.718 C\C(=C/C=C/c1ccccc1)CCl Amb27455495 [0,0,0,0,1,0|2,0,1]=4 242 B13R1.718 NC(CO)C\C=C\c1ccccc1 Amb33081461 [0,0,0,0,1,0|2,0,1]=4 243 B13R1.718 NCC(=O)CCCc1ccccc1 Amb33129308 [0,0,0,0,1,0|1,0,2]=4 244 B13R1.718 NCC(=O)NCCc1ccccc1 Amb13951619 [0,0,0,0,1,0|2,0,1]=4 245 B13R1.718 NCC(=O)NCCc1ccccc1 Amb5783058 [0,0,0,0,1,0|2,0,1]=4 246 B13R1.718 NCC(O)C\C=C\c1ccccc1 Amb33081075 [0,0,0,0,1,0|1,0,2]=4 247 B13R1.718 NNC(=O)C\C=C\c1ccccc1 Amb24540797 [0,0,0,0,1,0|2,0,0]=3 248 B13R1.718 O=C(CBr)NCCc1ccccc1 Amb2089064 [0,0,0,0,1,0|2,0,1]=4 249 B13R1.718 O=C(CCl)CCCc1ccccc1 Amb22395307 [0,0,0,0,1,0|1,0,2]=4 250 B13R1.718 O=C(CCl)NCCc1ccccc1 Amb6315505 [0,0,0,0,1,0|2,0,1]=4 251 B13R1.718 O=C(CI)NCCc1ccccc1 Amb32455597 [0,0,0,0,1,0|2,0,1]=4 252 B13R1.718 O=C(CO)CCCc1ccccc1 Amb33129305 [0,0,0,0,1,0|1,0,2]=4 253 B13R1.718 O=C(CO)NCCc1ccccc1 Amb1111400 [0,0,0,0,1,0|2,0,1]=4 254 B15R1.962 CCC(=O)CCCSCc1ccccc1 Amb32682994 [0,0,0,0,0,1|1,0,2]=4 255 B15R1.962 CCC(=O)OCCNCc1ccccc1 Amb18266491 [0,0,0,0,0,1|0,0,2]=3 256 B15R1.962 COC(=O)CCO\N=C\c1ccccc1 Amb32434936 [0,0,0,0,0,1|3,0,0]=4 257 B15R1.962 COC(=O)COCCOc1ccccc1 Amb9206367 [0,0,0,0,0,1|2,0,1]=4 258 B12R1.8 BrCCC\C=C\c1ccccc1 Amb33081215 [2,0,0,0,0,0|1,0,1]=4 259 B12R1.8 BrC\C=C\C=C\c1ccccc1 Amb8394285 [2,0,0,0,0,0|1,0,1]=4 260 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [2,0,0,0,0,0|0,0,1]=3 261 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [2,0,0,0,0,0|1,0,1]=4 262 B12R1.8 CCNC\C=C\c1ccccc1 Amb6864716 [2,0,0,0,0,0|1,0,0]=3 263 B12R1.8 CCNC\C=C\c1ccccc1 Amb837817 [2,0,0,0,0,0|1,0,0]=3 264 B12R1.8 CCOCOCc1ccccc1 Amb27830530 [2,0,0,0,0,0|1,0,1]=4 265 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [2,0,0,0,0,0|1,0,1]=4 266 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [2,0,0,0,0,0|1,0,1]=4 267 B12R1.8 NC\C=C\C=C\c1ccccc1 Amb32953332 [2,0,0,0,0,0|1,0,1]=4 268 B12R1.8 O=C=NC\C=C\c1ccccc1 Amb26439771 [2,0,0,0,0,0|1,0,1]=4 269 B12R1.8 O=CCC\C=C\c1ccccc1 Amb18645368 [2,0,0,0,0,0|1,0,0]=3 270 B12R1.8 O=COC\C=C\c1ccccc1 Amb6357969 [2,0,0,0,0,0|0,0,0]=2 271 B12R1.8 O=C\C=C\C=C\c1ccccc1 Amb17593956 [2,0,0,0,0,0|1,0,1]=4 272 B12R1.8 OCCC\C=C\c1ccccc1 Amb33082089 [2,0,0,0,0,0|1,0,1]=4 273 B12R1.8 OC\C=C\C=C\c1ccccc1 Amb33081530 [2,0,0,0,0,0|1,0,1]=4 274 B12R1.8 S=CNC\C=C\c1ccccc1 Amb27232732 [2,0,0,0,0,0|1,1,0]=4 275 B12R1.8 SCCC\C=C\c1ccccc1 Amb33081102 [2,0,0,0,0,0|1,0,1]=4 276 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb6864531 [1,1,0,0,0,0|1,0,1]=4 277 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb8450614 [1,1,0,0,0,0|1,0,1]=4 278 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [1,1,0,0,0,0|1,0,1]=4 279 B14R1.123 COCCNC\C=C\c1ccccc1 Amb6865440 [1,1,0,0,0,0|1,0,1]=4 280 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [1,1,0,0,0,0|0,0,1]=3 281 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,1,0,0,0,0|0,0,2]=4 282 B14R1.123 OCCC#CC\C=C\c1ccccc1 Amb28249103 [1,1,0,0,0,0|1,0,1]=4 283 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [1,1,0,0,0,0|1,0,1]=4 284 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [1,1,0,0,0,0|1,0,1]=4 285 B14R1.123 OCCNCC\C=C/c1ccccc1 Amb17143093 [1,1,0,0,0,0|2,0,0]=4 286 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb19890261 [1,1,0,0,0,0|1,0,1]=4 287 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb20673527 [1,1,0,0,0,0|1,0,1]=4 288 B14R1.158 CC\C=C/CC(=O)Nc1ccccc1 Amb27754026 [1,1,0,0,0,0|2,0,0]=4 289 B14R1.158 CC\C=C\CC(=O)Nc1ccccc1 Amb27423080 [1,1,0,0,0,0|2,0,0]=4 290 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb1922701 [1,1,0,0,0,0|1,0,1]=4 291 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb6864739 [1,1,0,0,0,0|1,0,1]=4 292 B14R1.422 CC(O)C#CC\C=C\c1ccccc1 Amb28399005 [1,1,0,0,0,0|1,0,1]=4 293 B14R1.422 CC(O)CNC\C=C\c1ccccc1 Amb837929 [1,1,0,0,0,0|1,0,1]=4 294 B14R1.520 CCOC(=O)C\C=C\c1ccccc1 Amb34916573 [1,1,0,0,0,0|2,0,0]=4 295 B14R1.148 CC(=O)OCCCc1cccc(N)c1 Amb28653244 [1,1,0,0,0,0|0,0,2]=4 296 B14R1.148 CC(=O)\C=C\C=C\c1cccc(Br)c1 Amb31141061 [1,1,0,0,0,0|1,0,1]=4 297 B14R1.148 CC(=O)\C=C\C=C\c1cccc(C)c1 Amb31185801 [1,1,0,0,0,0|1,0,1]=4 298 B14R1.148 CC(=O)\C=C\C=C\c1cccc(Cl)c1 Amb31117340 [1,1,0,0,0,0|1,0,1]=4 299 B14R1.148 CC(=O)\C=C\C=C\c1cccc(F)c1 Amb31135002 [1,1,0,0,0,0|1,0,1]=4 300 B14R1.148 Cc1cccc(\C=C\CCC(=O)O)c1 Amb17234914 [1,1,0,0,0,0|2,0,0]=4 301 B14R1.148 O=C(O)CC\C=C\c1cccc(Cl)c1 Amb17240748 [1,1,0,0,0,0|2,0,0]=4 302 B14R1.148 O=C(O)CC\C=C\c1cccc(F)c1 Amb17235891 [1,1,0,0,0,0|2,0,0]=4 303 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Br Amb31141064 [1,1,0,0,0,0|1,0,1]=4 304 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1C Amb31185800 [1,1,0,0,0,0|1,0,1]=4 305 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Cl Amb31117339 [1,1,0,0,0,0|1,0,1]=4 306 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1F Amb31135000 [1,1,0,0,0,0|1,0,1]=4 307 B14R1.159 Cc1ccccc1\C=C\CCC(=O)O Amb8398526 [1,1,0,0,0,0|2,0,0]=4 308 B14R1.159 O=C(O)CC\C=C\c1ccccc1Cl Amb17240745 [1,1,0,0,0,0|2,0,0]=4 309 B14R1.159 O=C(O)CC\C=C\c1ccccc1F Amb17235888 [1,1,0,0,0,0|2,0,0]=4 310 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 Amb10562812 [1,1,0,0,0,0|2,0,0]=4 311 B14R1.420 C\C(=C/CCC(=O)O)c1ccccc1 Amb17234905 [1,1,0,0,0,0|2,0,0]=4 312 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 Amb8440130 [1,1,0,0,0,0|2,0,0]=4 313 B14R1.423 CC(=O)CC\C(C)=C\c1ccccc1 Amb33381234 [1,1,0,0,0,0|1,0,0]=3 314 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 Amb8332419 [1,1,0,0,0,0|2,0,0]=4 315 B14R1.423 CC(=O)ONC(=O)Nc1ccccc1 Amb28325851 [1,1,0,0,0,0|2,0,0]=4 316 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 Amb27585790 [1,1,0,0,0,0|1,1,0]=4 317 B14R1.423 CC(=O)\C=C\C(C)=C\c1ccccc1 Amb33381231 [1,1,0,0,0,0|1,0,1]=4 318 B14R1.423 C\C(=C/c1ccccc1)CCC(=O)O Amb32951236 [1,1,0,0,0,0|2,0,0]=4 319 B14R1.677 CC(=O)CC\C=C\c1ccc(Br)cc1 Amb18228461 [1,1,0,0,0,0|1,0,0]=3 320 B14R1.677 CC(=O)CC\C=C\c1ccc(C)cc1 Amb18224841 [1,1,0,0,0,0|1,0,0]=3 321 B14R1.677 CC(=O)CC\C=C\c1ccc(Cl)cc1 Amb18865910 [1,1,0,0,0,0|1,0,0]=3 322 B14R1.677 CC(=O)CC\C=C\c1ccc(F)cc1 Amb18863723 [1,1,0,0,0,0|1,0,0]=3 323 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [1,1,0,0,0,0|0,0,2]=4 324 B14R1.677 CC(=O)OCCOc1ccc(Br)cc1 Amb22493613 [1,1,0,0,0,0|1,0,1]=4 325 B14R1.677 CC(=O)OCCOc1ccc(C)cc1 Amb22735029 [1,1,0,0,0,0|1,0,1]=4 326 B14R1.677 CC(=O)\C=C\C=C\c1ccc(Br)cc1 Amb31141062 [1,1,0,0,0,0|1,0,1]=4 327 B14R1.677 CC(=O)\C=C\C=C\c1ccc(C)cc1 Amb31185802 [1,1,0,0,0,0|1,0,1]=4 328 B14R1.677 CC(=O)\C=C\C=C\c1ccc(Cl)cc1 Amb31117341 [1,1,0,0,0,0|1,0,1]=4 329 B14R1.677 CC(=O)\C=C\C=C\c1ccc(F)cc1 Amb31135001 [1,1,0,0,0,0|1,0,1]=4 330 B14R1.677 Cc1ccc(\C=C\CCC(=O)O)cc1 Amb17234906 [1,1,0,0,0,0|2,0,0]=4 331 B14R1.677 O=C(O)CC\C=C\c1ccc(Br)cc1 Amb17264238 [1,1,0,0,0,0|2,0,0]=4 332 B14R1.677 O=C(O)CC\C=C\c1ccc(Cl)cc1 Amb17240737 [1,1,0,0,0,0|2,0,0]=4 333 B14R1.677 O=C(O)CC\C=C\c1ccc(F)cc1 Amb17235885 [1,1,0,0,0,0|2,0,0]=4 334 B14R1.818 C=C(\C=C\c1ccccc1)NC(C)=O Amb27210869 [1,1,0,0,0,0|1,0,1]=4 335 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [1,1,0,0,0,0|1,0,1]=4 336 B14R1.818 CC(=O)OC(C)C#Cc1ccccc1 Amb25676953 [1,1,0,0,0,0|0,0,2]=4 337 B14R1.818 CC(=O)OC(C)CCc1ccccc1 Amb4034624 [1,1,0,0,0,0|0,0,2]=4 338 B14R1.818 CC(\C=C\c1ccccc1)CC(=O)O Amb32952094 [1,1,0,0,0,0|2,0,0]=4 339 B14R1.818 NC(\C=C\c1ccccc1)CC(=O)O Amb32954178 [1,1,0,0,0,0|2,0,0]=4 340 B14R1.818 O=C(O)CC(O)\C=C\c1ccccc1 Amb32954523 [1,1,0,0,0,0|2,0,0]=4 341 B14R1.818 O=C(O)C[C@@H](O)\C=C\c1ccccc1 Amb33082662 [1,1,0,0,0,0|2,0,0]=4 342 B14R1.818 O=C(O)C[C@H](O)\C=C\c1ccccc1 Amb32954719 [1,1,0,0,0,0|2,0,0]=4 343 B14R1.3331 NS(=O)(=O)OC\C=C\c1ccccc1 Amb33081761 [1,1,0,0,0,0|2,0,0]=4 344 B14R1.6449 CC(=O)\C(C)=C\C=C\c1ccccc1 Amb28401501 [1,1,0,0,0,0|1,0,1]=4 345 B14R1.6449 CC(C\C=C\c1ccccc1)C(=O)O Amb33082406 [1,1,0,0,0,0|2,0,0]=4 346 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O Amb6270143 [1,1,0,0,0,0|2,0,0]=4 347 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(=O)O Amb22746168 [1,1,0,0,0,0|2,0,0]=4 348 B14R1.6449 N[C@H](C\C=C\c1ccccc1)C(=O)O Amb34912482 [1,1,0,0,0,0|2,0,0]=4 349 B14R1.6449 O=C(O)C(=O)C\C=C\c1ccccc1 Amb33081312 [1,1,0,0,0,0|2,0,0]=4 350 B14R1.6449 O=C(O)C(O)C\C=C\c1ccccc1 Amb32954515 [1,1,0,0,0,0|2,0,0]=4 351 B14R1.13 CCC(=O)CSCc1ccc(Cl)cc1 Amb32682969 [0,1,0,0,1,0|1,0,1]=4 352 B14R1.13 CCC(=O)NCCc1ccc(N)cc1 Amb17139366 [0,1,0,0,1,0|1,0,1]=4 353 B14R1.13 CCC(=O)NCCc1ccc(O)cc1 Amb5797466 [0,1,0,0,1,0|1,0,1]=4 354 B14R1.163 C=C(CC)CNC(=O)c1ccccc1 Amb24072044 [0,1,0,0,1,0|2,0,0]=4 355 B14R1.163 CCC(=O)NCC(=O)c1ccccc1 Amb17336295 [0,1,0,0,1,0|1,0,0]=3 356 B14R1.163 CCC(=O)NCC(O)c1ccccc1 Amb4035680 [0,1,0,0,1,0|1,0,1]=4 357 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 Amb3097318 [0,1,0,0,1,0|2,0,0]=4 358 B14R1.163 CNC(=O)CCC(=O)c1ccccc1 Amb17336307 [0,1,0,0,1,0|1,0,1]=4 359 B14R1.163 CNC(=O)O\N=C(\C)c1ccccc1 Amb27830169 [0,1,0,0,1,0|2,0,0]=4 360 B14R1.163 CNC(=O)O\N=C(\N)c1ccccc1 Amb27860246 [0,1,0,0,1,0|2,0,0]=4 361 B14R1.163 COC(=O)CCC(=O)c1ccccc1 Amb2720969 [0,1,0,0,1,0|1,0,1]=4 362 B14R1.163 COC(=O)CNC(=O)c1ccccc1 Amb1006962 [0,1,0,0,1,0|2,0,0]=4 363 B14R1.163 COC(=O)CNC(=S)c1ccccc1 Amb22495668 [0,1,0,0,1,0|2,0,0]=4 364 B14R1.163 COC(=O)\C=C\C(=O)c1ccccc1 Amb2435415 [0,1,0,0,1,0|1,0,1]=4 365 B14R1.163 N\C(=N\OC(=O)CCl)c1ccccc1 Amb24121345 [0,1,0,0,1,0|2,0,0]=4 366 B14R1.163 O=C(CBr)NCC(=O)c1ccccc1 Amb23536418 [0,1,0,0,1,0|2,0,0]=4 367 B14R1.163 O=C(CCl)NCC(=O)c1ccccc1 Amb2099654 [0,1,0,0,1,0|2,0,0]=4 368 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 Amb27453598 [0,1,0,0,1,0|1,0,0]=3 369 B14R1.743 CCC(=O)NC(=O)Nc1ccccc1 Amb4010076 [0,1,0,0,1,0|2,0,0]=4 370 B14R1.743 CCC(=O)NC(=S)Nc1ccccc1 Amb6346289 [0,1,0,0,1,0|2,0,0]=4 371 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 Amb2689984 [0,1,0,0,1,0|1,0,1]=4 372 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 Amb6811741 [0,1,0,0,1,0|2,0,0]=4 373 B14R1.743 O=C(CBr)CC(=O)Nc1ccccc1 Amb836952 [0,1,0,0,1,0|2,0,0]=4 374 B14R1.756 CCC(=O)C(C)OCc1ccccc1 Amb25708039 [0,1,0,0,1,0|1,0,1]=4 375 B14R1.756 CCC(=O)C(C)SCc1ccccc1 Amb32683030 [0,1,0,0,1,0|1,0,1]=4 376 B14R1.756 CNC(=O)C(O)\C=C\c1ccccc1 Amb25243537 [0,1,0,0,1,0|1,0,0]=3 377 B14R1.756 COC(=O)C(=O)\C=C\c1ccccc1 Amb31029020 [0,1,0,0,1,0|1,0,1]=4 378 B14R1.756 COC(=O)C(C)\N=C\c1ccccc1 Amb2426902 [0,1,0,0,1,0|2,0,0]=4 379 B14R1.756 COC(=O)C(N)\C=C\c1ccccc1 Amb33081314 [0,1,0,0,1,0|1,0,0]=3 380 B14R1.756 COC(=O)C(O)\C=C\c1ccccc1 Amb32952079 [0,1,0,0,1,0|1,0,0]=3 381 B14R1.756 COC(=O)[C@@H](N)\C=C\c1ccccc1 Amb30647374 [0,1,0,0,1,0|1,0,0]=3 382 B14R1.837 CCC(=O)CSCc1ccccc1C Amb32682986 [0,1,0,0,1,0|1,0,1]=4 383 B14R1.837 CCC(=O)CSCc1ccccc1Cl Amb32682968 [0,1,0,0,1,0|1,0,1]=4 384 B14R1.837 COC(=O)N\C=C\c1ccccc1Cl Amb26078541 [0,1,0,0,1,0|2,0,0]=4 385 B14R1.1025 CCC(=O)CSCc1cccc(C)c1 Amb32682984 [0,1,0,0,1,0|1,0,1]=4 386 B16R1.7 CCC(=O)OCCNCc1ccc(C)cc1 Amb18929212 [0,1,0,0,0,1|0,0,2]=4 387 B16R1.7 CCC(=O)OCCNCc1ccc(Cl)cc1 Amb18929159 [0,1,0,0,0,1|0,0,2]=4 388 B16R1.849 CCC(=O)OC(C)CNCc1ccccc1 Amb18929271 [0,1,0,0,0,1|0,0,2]=4 389 B16R1.932 CCCC(=O)OCCNCc1ccccc1 Amb18266503 [0,1,0,0,0,1|0,0,2]=4 390 B16R1.932 CCOC(=O)COCCOc1ccccc1 Amb9206366 [0,1,0,0,0,1|1,0,1]=4 391 B16R1.932 COCC(=O)OCCNCc1ccccc1 Amb18266484 [0,1,0,0,0,1|0,0,2]=4 392 B16R1.1343 CCC(=O)CCC(=O)NCc1ccccc1 Amb27876297 [0,1,0,0,0,1|1,0,1]=4 393 B16R1.4131 CC(C)C(=O)OCCNCc1ccccc1 Amb18929292 [0,1,0,0,0,1|0,0,2]=4 394 B16R1.10 COC(=O)C(O)C\C=C\c1ccc(F)cc1 Amb33202034 [0,2,0,0,0,0|2,0,0]=4 395 B16R1.850 COC(=O)CC(O)\C=C\c1ccc(F)cc1 Amb33202411 [0,2,0,0,0,0|2,0,0]=4 396 B16R1.850 COC(=O)C[C@@H](O)\C=C\c1ccc(F)cc1 Amb33202413 [0,2,0,0,0,0|2,0,0]=4 397 B16R1.850 COC(=O)C[C@H](O)\C=C\c1ccc(F)cc1 Amb33202412 [0,2,0,0,0,0|2,0,0]=4 398 B16R1.1570 CCOC(=O)CC(=O)\C=C\c1ccccc1 Amb17529751 [0,2,0,0,0,0|1,0,1]=4 399 B16R1.929 CCOC(=O)CCCC(=O)c1ccccc1 Amb4034700 [0,2,0,0,0,0|1,0,1]=4 400 B16R1.934 CCOC(=O)CCC(=O)Cc1ccccc1 Amb28556365 [0,2,0,0,0,0|1,0,1]=4 401 B16R1.1465 CCCCC(=O)OCCCc1ccccc1 Amb24094189 [0,2,0,0,0,0|0,0,2]=4 402 B16R1.6929 CC(=O)CC(=O)OC\C=C\c1ccccc1 Amb22235088 [0,2,0,0,0,0|0,0,0]=2 403 B16R1.6929 CC(C)CC(=O)OCCCc1ccccc1 Amb22338473 [0,2,0,0,0,0|0,0,2]=4 404 B16R1.6929 C\C(N)=C/C(=O)OC\C=C\c1ccccc1 Amb33512728 [0,2,0,0,0,0|0,0,1]=3 405 B16R1.6929 C\C(N)=C\C(=O)OC\C=C\c1ccccc1 Amb8629309 [0,2,0,0,0,0|0,0,1]=3 406 B16R1.1660 C\C(=C/c1ccccc1)CN(C)C(=O)CBr Amb17331800 [0,2,0,0,0,0|2,0,0]=4 407 B16R1.4132 C[C@@H](N)C(=O)NCC(=O)Nc1ccccc1 Amb18527764 [0,2,0,0,0,0|2,0,0]=4 408 B14R1.77 CCC(=O)NCc1cccc(C=O)c1 Amb32658946 [0,0,1,1,0,0|2,0,0]=4 409 B14R2.6 C(=C1CCCCC1)c2ccccc2 Amb4035202 [1,0,0,1,0,0|1,0,1]=4 410 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb20622494 [1,0,0,1,0,0|2,0,0]=4 411 B14R2.6 C(=C1CCNCC1)c2ccccc2 Amb32412174 [1,0,0,1,0,0|2,0,0]=4 412 B14R2.14 CCc1ocnc1-c2ccccc2 Amb28321142 [1,0,0,1,0,0|1,0,1]=4 413 B14R2.14 NCc1occc1-c2ccccc2 Amb18908922 [1,0,0,1,0,0|1,0,1]=4 414 B14R2.30 CC1NCC\C1=C/c2ccccc2 Amb18127119 [1,0,0,1,0,0|2,0,0]=4 415 B14R2.87 OCC1OC1\C=C\c2ccccc2 Amb28205977 [1,0,0,1,0,0|1,0,1]=4 416 B14R2.101 C(=C/[C@H]1CCNC1)/c2ccccc2 Amb28243252 [1,0,0,1,0,0|2,0,0]=4 417 B14R2.101 C(=C\C1CCCN1)/c2ccccc2 Amb23536589 [1,0,0,1,0,0|1,0,1]=4 418 B14R2.101 C(=C\C1CCCO1)/c2ccccc2 Amb4103388 [1,0,0,1,0,0|0,0,1]=3 419 B14R2.101 C(=C\C1CCNC1)/c2ccccc2 Amb33081224 [1,0,0,1,0,0|2,0,0]=4 420 B14R2.101 C(=C\C1OCCO1)/c2ccccc2 Amb26483959 [1,0,0,1,0,0|1,0,1]=4 421 B14R2.101 C(=C\[C@@H]1CCNC1)/c2ccccc2 Amb28057010 [1,0,0,1,0,0|2,0,0]=4 422 B14R2.101 C(=C\[C@H]1CCNC1)/c2ccccc2 Amb27459920 [1,0,0,1,0,0|2,0,0]=4 423 B14R2.101 C(=N\C1CCCO1)/c2ccccc2 Amb26008253 [1,0,0,1,0,0|1,0,1]=4 424 B14R2.1253 C1=C(c2ccccc2)CCCCC1 Amb4001532 [1,0,0,1,0,0|1,0,1]=4 425 B14R2.1253 C1=C(c2ccccc2)CCNCC1 Amb18563997 [1,0,0,1,0,0|2,0,0]=4 426 B14R2.2014 CCN1CCC=Cc2ccccc21 Amb27766289 [1,0,0,1,0,0|2,0,0]=4 427 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb6865439 [1,0,0,1,0,0|1,0,1]=4 428 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb9172372 [1,0,0,1,0,0|1,0,1]=4 429 B14R2.2 CC(=O)Cn1ccc2ccccc21 Amb18185769 [1,0,0,1,0,0|2,0,0]=4 430 B14R2.2 CC(=O)Nn1ccc2ccccc21 Amb27491614 [1,0,0,1,0,0|2,0,0]=4 431 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [1,0,0,1,0,0|0,0,2]=4 432 B14R2.2 CC(=O)Oc1coc2ccccc12 Amb6357855 [1,0,0,1,0,0|1,0,1]=4 433 B14R2.2 O=C(O)CC1C=Cc2ccccc21 Amb17470502 [1,0,0,1,0,0|2,0,0]=4 434 B14R2.19 O=C1C=C(Sc2ccccc2)CO1 Amb21928058 [1,0,0,1,0,0|1,0,1]=4 435 B14R2.19 O=C1CC(Cc2ccccc2)=NO1 Amb1099037 [1,0,0,1,0,0|1,0,1]=4 436 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [1,0,0,1,0,0|0,0,2]=4 437 B14R2.19 O=C1CC(Nc2ccccc2)CO1 Amb27415556 [1,0,0,1,0,0|1,0,1]=4 438 B14R2.19 O=C1CN(Cc2ccccc2)CO1 Amb27861590 [1,0,0,1,0,0|1,0,1]=4 439 B14R2.19 O=C1N\C(=C/c2ccccc2)CO1 Amb27815226 [1,0,0,1,0,0|1,0,0]=3 440 B14R2.19 O=C1N\C(=C\c2ccccc2)CO1 Amb27981988 [1,0,0,1,0,0|1,0,0]=3 441 B14R2.19 OC1C\C(=C\c2ccccc2)CO1 Amb22522086 [1,0,0,1,0,0|0,0,2]=4 442 B14R2.21 O=C1C=C(c2ccccc2)C=CO1 Amb27480961 [1,0,0,1,0,0|0,0,2]=4 443 B14R2.21 O=C1CC(c2ccccc2)CCO1 Amb22499444 [1,0,0,1,0,0|0,0,2]=4 444 B14R2.21 O=C1C[C@@H](c2ccccc2)CCO1 Amb27187321 [1,0,0,1,0,0|0,0,2]=4 445 B14R2.764 CC(=O)C1C\C1=C/c2ccccc2 Amb27854648 [1,0,0,1,0,0|1,0,0]=3 446 B14R2.780 CC(=O)C1=C(c2ccccc2)CC1 Amb28062994 [1,0,0,1,0,0|1,0,1]=4 447 B14R2.31137 CC(=O)OCC1Cc2ccccc21 Amb27774602 [1,0,0,1,0,0|0,0,2]=4 448 B14R2.31359 CC(=O)N1CC=Cc2ccccc21 Amb26639322 [1,0,0,1,0,0|1,0,0]=3 449 B14R2.31359 CC(=O)c1cccc2ccccc12 Amb2792763 [1,0,0,1,0,0|1,0,1]=4 450 B14R2.31359 CC(=O)c1nccc2ccccc12 Amb19104782 [1,0,0,1,0,0|2,0,0]=4 451 B14R2.31359 O=C(O)C1CC=Cc2ccccc21 Amb25139390 [1,0,0,1,0,0|2,0,0]=4 452 B14R2.252 O=C1CCC(\C=C\c2ccco2)N1 Amb27868409 [0,0,0,1,1,0|2,0,0]=4 453 B14R2.8 CCc1nc(-c2ccccc2)cs1 Amb27879316 [0,0,0,1,1,0|1,1,0]=4 454 B14R2.8 CCc1nc(-c2ccccc2)no1 Amb25872220 [0,0,0,1,1,0|2,0,0]=4 455 B14R2.8 CNc1nc(-c2ccccc2)co1 Amb22301262 [0,0,0,1,1,0|2,0,0]=4 456 B14R2.8 ClCc1nc(-c2ccccc2)co1 Amb27179229 [0,0,0,1,1,0|2,0,0]=4 457 B14R2.8 NCc1nc(-c2ccccc2)co1 Amb18065511 [0,0,0,1,1,0|2,0,0]=4 458 B14R2.68 CN1CC=C(c2ccccc2)CC1 Amb1876235 [0,0,0,1,1,0|2,0,0]=4 459 B14R2.68 CN1CC=C(c2ccccc2)CC1 Amb6365410 [0,0,0,1,1,0|2,0,0]=4 460 B14R2.68 ClC1CC=C(c2ccccc2)CC1 Amb27401819 [0,0,0,1,1,0|1,0,1]=4 461 B14R2.68 NC1CC=C(c2ccccc2)CC1 Amb28985720 [0,0,0,1,1,0|1,0,1]=4 462 B14R2.68 O=C1C=CC(c2ccccc2)=CO1 Amb28319529 [0,0,0,1,1,0|0,0,2]=4 463 B14R2.68 O=C1C=CC(c2ccccc2)CC1 Amb28131957 [0,0,0,1,1,0|0,0,2]=4 464 B14R2.68 O=C1C=C[C@@H](c2ccccc2)CC1 Amb27772525 [0,0,0,1,1,0|0,0,2]=4 465 B14R2.68 O=C1CC=C(c2ccccc2)CC1 Amb34104182 [0,0,0,1,1,0|0,0,0]=2 466 B14R2.68 O=C1CC=C(c2ccccc2)OC1 Amb27599462 [0,0,0,1,1,0|1,0,0]=3 467 B14R2.68 O=C1CCC(c2ccccc2)=NN1 Amb1017246 [0,0,0,1,1,0|2,0,0]=4 468 B14R2.68 O=C1CCC(c2ccccc2)CC1 Amb1208394 [0,0,0,1,1,0|0,0,2]=4 469 B14R2.68 O=C1CCC(c2ccccc2)CN1 Amb17400501 [0,0,0,1,1,0|1,0,1]=4 470 B14R2.68 O=C1CCC(c2ccccc2)CO1 Amb28122923 [0,0,0,1,1,0|0,0,1]=3 471 B14R2.68 O=C1CCN(c2ccccc2)CC1 Amb6280694 [0,0,0,1,1,0|1,0,1]=4 472 B14R2.68 O=C1CNC(c2ccccc2)=NO1 Amb28398006 [0,0,0,1,1,0|2,0,0]=4 473 B14R2.68 O=C1CN[C@@H](c2ccccc2)CO1 Amb24052958 [0,0,0,1,1,0|1,0,1]=4 474 B14R2.68 O=C1CN[C@@H](c2ccccc2)CO1 Amb8629097 [0,0,0,1,1,0|1,0,1]=4 475 B14R2.68 O=C1CN[C@H](c2ccccc2)CO1 Amb22748846 [0,0,0,1,1,0|1,0,1]=4 476 B14R2.68 O=C1CN[C@H](c2ccccc2)CO1 Amb8629096 [0,0,0,1,1,0|1,0,1]=4 477 B14R2.68 O=C1CSC(c2ccccc2)CO1 Amb28289733 [0,0,0,1,1,0|1,0,1]=4 478 B14R2.68 O=C1NCC(c2ccccc2)CO1 Amb28208260 [0,0,0,1,1,0|1,0,1]=4 479 B14R2.68 O=C1NN=C(c2ccccc2)CO1 Amb24715861 [0,0,0,1,1,0|2,0,0]=4 480 B14R2.95 CCC(=O)C1COc2ccccc21 Amb27780720 [0,0,0,1,1,0|1,0,1]=4 481 B14R2.95 CCC(=O)N1CCc2ccccc21 Amb1672516 [0,0,0,1,1,0|1,0,1]=4 482 B14R2.95 CCC(=O)c1coc2ccccc12 Amb25086526 [0,0,0,1,1,0|1,0,1]=4 483 B14R2.95 CCC(=O)c1csc2ccccc12 Amb9212755 [0,0,0,1,1,0|1,0,1]=4 484 B14R2.95 CCC(=O)n1cnc2ccccc21 Amb1205539 [0,0,0,1,1,0|2,0,0]=4 485 B14R2.95 COC(=O)C1C=Cc2ccncc21 Amb27165289 [0,0,0,1,1,0|2,0,0]=4 486 B14R2.95 NCC(=O)n1ccc2ccccc21 Amb28385549 [0,0,0,1,1,0|2,0,0]=4 487 B14R2.95 O=C(CCl)n1ccc2ccccc21 Amb25257982 [0,0,0,1,1,0|2,0,0]=4 488 B14R2.95 O=CC(=O)C1C=Cc2ccccc21 Amb27842130 [0,0,0,1,1,0|1,0,1]=4 489 B14R2.143 CCC1CC=Cc2ccccc2N1 Amb27759294 [0,0,0,1,1,0|1,0,1]=4 490 B14R2.279 CC1C(=O)CCOc2ccccc21 Amb27421869 [0,0,0,1,1,0|1,0,1]=4 491 B14R2.279 CC1C(=O)CCSc2ccccc21 Amb28326247 [0,0,0,1,1,0|1,0,1]=4 492 B14R2.280 O=C1CCc2ccccc2CCN1 Amb6359613 [0,0,0,1,1,0|1,0,1]=4 493 B14R2.427 CC1C(=O)CN1Cc2ccccc2 Amb28070005 [0,0,0,1,1,0|1,0,1]=4 494 B14R2.427 C[C@@H]1C(=O)N[C@H]1Cc2ccccc2 Amb27623877 [0,0,0,1,1,0|1,0,1]=4 495 B14R2.427 C[C@H]1C(=O)C[C@@H]1Cc2ccccc2 Amb28202308 [0,0,0,1,1,0|0,0,2]=4 496 B14R2.427 C[C@H]1C(=O)N[C@H]1Cc2ccccc2 Amb27203336 [0,0,0,1,1,0|1,0,1]=4 497 B14R2.958 CCC(=O)[C@H]1CC1c2ccccc2 Amb28126605 [0,0,0,1,1,0|0,0,2]=4 498 B14R2.958 COC(=O)C1N=C1c2ccccc2 Amb22325239 [0,0,0,1,1,0|2,0,0]=4 499 B14R2.4514 CC1=C(c2ccccc2)CNC1=O Amb27625681 [0,0,0,1,1,0|1,0,1]=4 500 B14R2.4514 CC1C(=O)C=CN1c2ccccc2 Amb27972975 [0,0,0,1,1,0|1,0,1]=4 501 B14R2.4514 CC1C(=O)CCC1c2ccccc2 Amb24051457 [0,0,0,1,1,0|0,0,2]=4 502 B14R2.4514 CC1C(=O)NCC1c2ccccc2 Amb24312552 [0,0,0,1,1,0|1,0,1]=4 503 B14R2.4514 CC1C(c2ccccc2)=CCN1C Amb27788502 [0,0,0,1,1,0|2,0,0]=4 504 B14R2.4514 CN1C(=O)NC=C1c2ccccc2 Amb26619647 [0,0,0,1,1,0|2,0,0]=4 505 B14R2.4514 CN1C(=O)OC[C@H]1c2ccccc2 Amb28463841 [0,0,0,1,1,0|1,0,1]=4 506 B14R2.4514 CN1C(=O)ON=C1c2ccccc2 Amb27599244 [0,0,0,1,1,0|2,0,0]=4 507 B14R2.4514 C[C@@H]1C(=O)C=C[C@H]1c2ccccc2 Amb28054304 [0,0,0,1,1,0|0,0,2]=4 508 B14R2.4514 C[C@@H]1C(=O)NC[C@H]1c2ccccc2 Amb27197156 [0,0,0,1,1,0|1,0,1]=4 509 B14R2.4514 C[C@H]1C(=O)CC[C@@H]1c2ccccc2 Amb27428256 [0,0,0,1,1,0|0,0,2]=4 510 B14R2.4514 O=C1OCC(c2ccccc2)C1O Amb27653185 [0,0,0,1,1,0|1,0,1]=4 511 B14R2.4881 NC1(C\C=C\c2ccccc2)CC1 Amb30030535 [0,0,0,1,1,0|1,0,1]=4 512 B14R2.4881 OC1(C\C=C\c2ccccc2)CC1 Amb33081106 [0,0,0,1,1,0|0,0,2]=4 513 B16R2.14 NCC(=O)NCC1=CCc2ccccc21 Amb31159975 [0,0,0,1,0,1|2,0,0]=4 514 B16R2.14 NCC(=O)NCC1C=Cc2ccccc21 Amb31104536 [0,0,0,1,0,1|2,0,0]=4 515 B16R2.148 COC(=O)c1occc1-c2ccccc2 Amb22058739 [0,0,0,1,0,1|1,0,1]=4 516 B16R2.2832 O=C1NCC(C\C=C\c2ccccc2)N1 Amb23560183 [0,0,0,1,0,1|2,0,0]=4 517 B16R2.5952 CC1C(=O)OC[C@@H]1NCc2ccccc2 Amb27254279 [0,0,0,1,0,1|0,0,2]=4 518 B16R2.170412 CCC(=O)Cc1cccc2ccccc12 Amb17476926 [0,0,0,1,0,1|1,0,1]=4 519 B16R2.170412 CCC(=O)Oc1cccc2ccccc12 Amb2193627 [0,0,0,1,0,1|0,0,1]=3 520 B16R2.170412 CNC(=O)Oc1cccc2ccccc12 Amb1215314 [0,0,0,1,0,1|1,0,1]=4 521 B16R2.170412 NCC(=O)Oc1cccc2ccccc12 Amb17337652 [0,0,0,1,0,1|1,0,1]=4 522 B16R2.137 O=C1CC(\C=C\c2ccc(F)cc2)CN1 Amb33171753 [0,1,0,1,0,0|2,0,0]=4 523 B16R2.137 O=C1NC(\C=C\c2ccc(F)cc2)CO1 Amb33201388 [0,1,0,1,0,0|2,0,0]=4 524 B16R2.137 O=C1NCC(\C=C\c2ccc(F)cc2)O1 Amb33201387 [0,1,0,1,0,0|1,0,0]=3 525 B16R2.3261 O=C1CCC(c2ccc(F)cc2)CCO1 Amb32428299 [0,1,0,1,0,0|0,0,2]=4 526 B16R2.176359 CCC(=O)Cn1ccc2ccc(C)cc21 Amb18334182 [0,1,0,1,0,0|2,0,0]=4 527 B16R2.252 O=C1C=C(\C=C\c2ccccc2)CCC1 Amb17778858 [0,1,0,1,0,0|1,0,1]=4 528 B16R2.312 CC1OC(=O)OC[C@@H]1[Se]c2ccccc2 Amb28463599 [0,1,0,1,0,0|1,0,1]=4 529 B16R2.312 O=C1CC\C(=C/c2ccccc2)C(=O)O1 Amb17471013 [0,1,0,1,0,0|0,0,1]=3 530 B16R2.312 O=C1CC\C(=C/c2ccccn2)C(=O)O1 Amb17471022 [0,1,0,1,0,0|1,0,1]=4 531 B16R2.312 O=C1CC\C(=C/c2cccnc2)C(=O)O1 Amb17471023 [0,1,0,1,0,0|1,0,1]=4 532 B16R2.312 O=C1CC\C(=C/c2ccncc2)C(=O)O1 Amb17471024 [0,1,0,1,0,0|1,0,1]=4 533 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 Amb9205990 [0,1,0,1,0,0|1,0,1]=4 534 B16R2.5347 NCC(=O)NC1C=Cc2ccccc2C1 Amb31104553 [0,1,0,1,0,0|2,0,0]=4 535 B16R2.5347 NCC(=O)Oc1ccc2ccccc2c1 Amb17337651 [0,1,0,1,0,0|1,0,1]=4 536 B16R2.45398 CC1(COc2ccccc2)CCC(=O)O1 Amb29856067 [0,1,0,1,0,0|1,0,1]=4 537 B16R2.5 CNCC(=O)NC1C=Cc2ccccc21 Amb31104502 [0,1,0,1,0,0|1,0,0]=3 538 B16R2.5 NCCC(=O)NC1C=Cc2ccccc21 Amb31104500 [0,1,0,1,0,0|1,0,0]=3 539 B16R2.2904 NC1CC(=O)OC1OCc2ccccc2 Amb27854589 [0,1,0,1,0,0|1,0,1]=4 540 B16R2.3250 O=C1CSCC1C\C=C\c2ccccc2 Amb27980850 [0,1,0,1,0,0|1,0,0]=3 541 B16R2.160202 CCOC(=O)N1CC=Cc2ccccc21 Amb24103520 [0,1,0,1,0,0|1,0,0]=3 542 B16R2.160202 CCOC(=O)c1cccc2ccccc12 Amb3940564 [0,1,0,1,0,0|1,0,1]=4 543 B16R2.160202 CCOC(=O)c1nccc2ccccc12 Amb19087733 [0,1,0,1,0,0|2,0,0]=4 544 B16R2.160202 CNCC(=O)c1cccc2ccccc12 Amb26413818 [0,1,0,1,0,0|1,0,1]=4 545 B16R2.160202 NCCC(=O)c1cccc2ccccc12 Amb26580633 [0,1,0,1,0,0|1,0,1]=4 546 B16R2.3257 O=C1CCC(c2cccc(F)c2)CCO1 Amb32428300 [0,1,0,1,0,0|0,0,2]=4 547 B16R2.34357 Cc1ccc2c(c1)C=CC2NC(=O)CN Amb31104538 [0,1,0,1,0,0|2,0,0]=4 548 B16R2.34357 NCC(=O)NC1C=Cc2cc(Cl)ccc21 Amb31104752 [0,1,0,1,0,0|2,0,0]=4 549 B16R2.34357 NCC(=O)NC1C=Cc2cc(F)ccc21 Amb31104604 [0,1,0,1,0,0|2,0,0]=4 550 B16R2.176317 Cc1cccc2c1C(NC(=O)CN)C=C2 Amb31104546 [0,1,0,1,0,0|2,0,0]=4 551 B16R2.176317 NCC(=O)NC1C=Cc2cccc(Cl)c21 Amb31104759 [0,1,0,1,0,0|2,0,0]=4 552 B16R2.176317 NCC(=O)NC1C=Cc2cccc(F)c21 Amb31104610 [0,1,0,1,0,0|2,0,0]=4 553 B16R2.120 O=C1CCN(C(=O)c2ccccc2)CC1 Amb2732478 [0,1,0,1,0,0|2,0,0]=4 554 B16R2.141 CCC(=O)c1ccc(-c2ccccc2)o1 Amb19086191 [0,1,0,1,0,0|1,0,1]=4 555 B16R2.141 CCC(=O)c1ccc(-c2ccccc2)s1 Amb2642895 [0,1,0,1,0,0|1,0,1]=4 556 B16R2.33942 CCC(=O)c1ccc(O)c2ccccc12 Amb18054454 [0,1,0,1,0,0|1,0,1]=4 557 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 Amb8237280 [0,1,0,1,0,0|2,0,0]=4 558 B16R2.1181 NCC(=O)NCc1cc2ccccc2s1 Amb31103842 [0,1,0,1,0,0|2,0,0]=4 559 B16R2.2843 C\C(=C/c1ccccc1)C2CNC(=O)C2 Amb32954624 [0,1,0,1,0,0|2,0,0]=4 560 B16R2.2843 C\C(=C/c1ccccc1)C2CNC(=O)O2 Amb33381489 [0,1,0,1,0,0|1,0,0]=3 561 B16R2.2843 C\C(=C/c1ccccc1)C2COC(=O)N2 Amb33381488 [0,1,0,1,0,0|2,0,0]=4 562 B16R2.2843 O=C1CCC(C(=O)Nc2ccccc2)N1 Amb2236124 [0,1,0,1,0,0|2,0,0]=4 563 B16R2.33951 CCC(=O)N1CC(=O)Nc2ccccc21 Amb1566846 [0,1,0,1,0,0|2,0,0]=4 564 B16R2.14496 O=C1CCC(c2ccccc2F)CCO1 Amb32428301 [0,1,0,1,0,0|0,0,2]=4 565 B16R2.244415 CC(C)C(=O)c1cccc2ccccc12 Amb19066997 [0,1,0,1,0,0|1,0,1]=4 566 B16R2.244415 CC(N)C(=O)c1cccc2ccccc12 Amb25698024 [0,1,0,1,0,0|1,0,1]=4 567 B16R2.244415 CC(O)C(=O)c1cccc2ccccc12 Amb27967733 [0,1,0,1,0,0|1,0,1]=4 568 B16R2.244415 C[C@@H](N)C(=O)c1cccc2ccccc12 Amb35588723 [0,1,0,1,0,0|1,0,1]=4 569 B16R2.244415 C[C@H](N)C(=O)c1cccc2ccccc12 Amb35738085 [0,1,0,1,0,0|1,0,1]=4 570 B16R3.2271 O=C1OC2CC1N(c3ccccc3)C2 Amb5719809 [0,0,0,2,0,0|1,0,1]=4 571 B16R3.335 O=C1Cc2c(ccc3ccccc23)O1 Amb2608678 [0,0,0,2,0,0|0,0,2]=4 572 B16R3.17392 O=C1CCc2ccc3ccccc3c21 Amb8388293 [0,0,0,2,0,0|1,0,1]=4 573 B16R3.17428 O=C1OCc2cc3ccccc3cc21 Amb4010632 [0,0,0,2,0,0|0,0,2]=4 574 B16R3.153 O=C1CCc2cccc3cccc1c23 Amb2732181 [0,0,0,2,0,0|1,0,1]=4 575 B12R1.252 CC(=O)CC#Cc1ccccc1 Amb28122481 [1,0,0,0,1,0|0,0,2]=4 576 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [1,0,0,0,1,0|0,0,2]=4 577 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [1,0,0,0,1,0|1,0,1]=4 578 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [1,0,0,0,1,0|1,0,1]=4 579 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [1,0,0,0,1,0|1,0,1]=4 580 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [1,0,0,0,1,0|1,0,1]=4 581 B12R1.252 CC(=O)CONc1ccccc1 Amb28243855 [1,0,0,0,1,0|2,0,0]=4 582 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [1,0,0,0,1,0|1,0,1]=4 583 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [1,0,0,0,1,0|0,0,0]=2 584 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [1,0,0,0,1,0|1,0,0]=3 585 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [1,0,0,0,1,0|1,0,1]=4 586 B12R1.252 CC(=O)NCSc1ccccc1 Amb27797274 [1,0,0,0,1,0|2,0,0]=4 587 B12R1.252 CC(=O)N\N=C\c1ccccc1 Amb2732164 [1,0,0,0,1,0|2,0,0]=4 588 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [1,0,0,0,1,0|0,0,1]=3 589 B12R1.252 CC(=O)OCCc1ccccn1 Amb8391177 [1,0,0,0,1,0|1,0,1]=4 590 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [1,0,0,0,1,0|0,0,0]=2 591 B12R1.252 CC(=O)\C=C/Nc1ccccc1 Amb28461253 [1,0,0,0,1,0|1,0,1]=4 592 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [1,0,0,0,1,0|0,0,2]=4 593 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [1,0,0,0,1,0|1,0,1]=4 594 B12R1.252 CC(=O)\C=C\Oc1ccccc1 Amb26528572 [1,0,0,0,1,0|1,0,1]=4 595 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb35789855 [1,0,0,0,1,0|1,0,1]=4 596 B12R1.252 CC(Br)C\C=C\c1ccccc1 Amb33080969 [1,0,0,0,1,0|1,0,1]=4 597 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb28143072 [1,0,0,0,1,0|1,0,1]=4 598 B12R1.252 CC(N)C\C=C\c1ccccc1 Amb25970039 [1,0,0,0,1,0|1,0,1]=4 599 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb32954303 [1,0,0,0,1,0|0,0,2]=4 600 B12R1.252 CN(O)C\C=C\c1ccccc1 Amb33081135 [1,0,0,0,1,0|1,0,1]=4 601 B12R1.252 C[C@@H](N)C\C=C\c1ccccc1 Amb33080763 [1,0,0,0,1,0|1,0,1]=4 602 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb32954522 [1,0,0,0,1,0|0,0,2]=4 603 B12R1.252 C[C@H](N)C\C=C\c1ccccc1 Amb33080767 [1,0,0,0,1,0|1,0,1]=4 604 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb32954836 [1,0,0,0,1,0|0,0,2]=4 605 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [1,0,0,0,1,0|2,0,0]=4 606 B12R1.252 N=C(N)C\C=C\c1ccccc1 Amb27652946 [1,0,0,0,1,0|2,0,0]=4 607 B12R1.252 NC(=S)C\C=C\c1ccccc1 Amb25112081 [1,0,0,0,1,0|1,1,0]=4 608 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [1,0,0,0,1,0|1,0,0]=3 609 B12R1.252 O=C(Cl)OCCc1ccccc1 Amb32661047 [1,0,0,0,1,0|1,0,1]=4 610 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [1,0,0,0,1,0|1,0,0]=3 611 B12R1.252 O=C(O)C\C=C\c1ccccn1 Amb25073201 [1,0,0,0,1,0|2,0,0]=4 612 B12R1.252 O=C(O)C\C=C\c1cccnc1 Amb26478515 [1,0,0,0,1,0|2,0,0]=4 613 B12R1.252 O=C(O)C\C=C\c1ccncc1 Amb24571194 [1,0,0,0,1,0|2,0,0]=4 614 B12R1.255 CC(=O)CC\C=C\c1cccs1 Amb18224700 [1,0,0,0,1,0|2,0,0]=4 615 B12R1.27 C#CC(=O)OCc1ccccc1 Amb24057136 [0,0,0,0,2,0|0,0,2]=4 616 B12R1.27 C=C(\C=C\c1ccccc1)CBr Amb33081080 [0,0,0,0,2,0|2,0,0]=4 617 B12R1.27 C=C(\C=C\c1ccccc1)CCl Amb33081096 [0,0,0,0,2,0|2,0,0]=4 618 B12R1.27 C=C(\C=C\c1ccccc1)CN Amb33080787 [0,0,0,0,2,0|2,0,0]=4 619 B12R1.27 C=CC(=O)OCc1ccccc1 Amb10807780 [0,0,0,0,2,0|0,0,2]=4 620 B12R1.27 C=CC(=O)\C=C\c1ccccc1 Amb33503118 [0,0,0,0,2,0|0,0,2]=4 621 B12R1.27 CCC(=N)NCc1ccccc1 Amb24388885 [0,0,0,0,2,0|2,0,0]=4 622 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [0,0,0,0,2,0|0,0,2]=4 623 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,0,0,0,2,0|0,0,1]=3 624 B12R1.27 CCC(=O)CNc1ccccc1 Amb27643385 [0,0,0,0,2,0|1,0,0]=3 625 B12R1.27 CCC(=O)CSc1ccccc1 Amb4165963 [0,0,0,0,2,0|1,0,0]=3 626 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [0,0,0,0,2,0|1,0,0]=3 627 B12R1.27 CCC(=O)NCc1ccccn1 Amb17736593 [0,0,0,0,2,0|2,0,0]=4 628 B12R1.27 CCC(=O)NNc1ccccc1 Amb2720825 [0,0,0,0,2,0|2,0,0]=4 629 B12R1.27 CCC(=O)NOc1ccccc1 Amb27827163 [0,0,0,0,2,0|2,0,0]=4 630 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [0,0,0,0,2,0|0,0,0]=2 631 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [0,0,0,0,2,0|0,0,0]=2 632 B12R1.27 CCC(=O)\C=C\c1ccncc1 Amb25962375 [0,0,0,0,2,0|1,0,0]=3 633 B12R1.27 CCC(=S)OCc1ccccc1 Amb28078330 [0,0,0,0,2,0|0,1,0]=3 634 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [0,0,0,0,2,0|0,0,2]=4 635 B12R1.27 CCS(=O)\N=C\c1ccccc1 Amb35726562 [0,0,0,0,2,0|2,0,0]=4 636 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [0,0,0,0,2,0|0,0,2]=4 637 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [0,0,0,0,2,0|1,0,1]=4 638 B12R1.27 CNC(=O)CSc1ccccc1 Amb33545141 [0,0,0,0,2,0|2,0,0]=4 639 B12R1.27 CNC(=O)OCc1ccccc1 Amb26883461 [0,0,0,0,2,0|1,0,0]=3 640 B12R1.27 CNC(=O)OCc1ccccn1 Amb27616729 [0,0,0,0,2,0|2,0,0]=4 641 B12R1.27 CNC(=O)OCc1cccnc1 Amb24532586 [0,0,0,0,2,0|2,0,0]=4 642 B12R1.27 CNC(=O)OCc1ccncc1 Amb27798878 [0,0,0,0,2,0|2,0,0]=4 643 B12R1.27 CNC(=O)SCc1ccccc1 Amb28243771 [0,0,0,0,2,0|1,1,0]=4 644 B12R1.27 CNC(=O)\C=C\c1ccncc1 Amb28454984 [0,0,0,0,2,0|2,0,0]=4 645 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,0,0,0,2,0|1,0,1]=4 646 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [0,0,0,0,2,0|2,0,0]=4 647 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [0,0,0,0,2,0|2,0,0]=4 648 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [0,0,0,0,2,0|2,0,0]=4 649 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [0,0,0,0,2,0|2,0,0]=4 650 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [0,0,0,0,2,0|2,0,0]=4 651 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,0,0,0,2,0|1,0,0]=3 652 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb33716217 [0,0,0,0,2,0|1,0,0]=3 653 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb8515074 [0,0,0,0,2,0|1,0,0]=3 654 B12R1.27 COC(=O)\C=C\c1ccccn1 Amb25036096 [0,0,0,0,2,0|2,0,0]=4 655 B12R1.27 COC(=O)\C=C\c1cccnc1 Amb17844385 [0,0,0,0,2,0|2,0,0]=4 656 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb20668041 [0,0,0,0,2,0|2,0,0]=4 657 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb24074160 [0,0,0,0,2,0|2,0,0]=4 658 B12R1.27 CSC(=S)OCc1ccccc1 Amb4035354 [0,0,0,0,2,0|1,1,0]=4 659 B12R1.27 C\N=C(\C)OCc1ccccc1 Amb27784725 [0,0,0,0,2,0|2,0,0]=4 660 B12R1.27 N#CC(=O)OCc1ccccc1 Amb9786353 [0,0,0,0,2,0|1,0,1]=4 661 B12R1.27 N=C(CO)OCc1ccccc1 Amb27598593 [0,0,0,0,2,0|2,0,0]=4 662 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,0,0,0,2,0|1,0,1]=4 663 B12R1.27 NCC(=O)CCc1ccccc1 Amb35788694 [0,0,0,0,2,0|1,0,1]=4 664 B12R1.27 NCC(=O)NCc1ccccc1 Amb6477742 [0,0,0,0,2,0|2,0,0]=4 665 B12R1.27 NCC(=O)NCc1ccccc1 Amb7969763 [0,0,0,0,2,0|2,0,0]=4 666 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,0,0,0,2,0|1,0,0]=3 667 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,0,0,0,2,0|1,0,0]=3 668 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb32954851 [0,0,0,0,2,0|1,0,0]=3 669 B12R1.27 NNC(=O)OCc1ccccc1 Amb33422006 [0,0,0,0,2,0|2,0,0]=4 670 B12R1.27 NNC(=O)OCc1ccccc1 Amb8516532 [0,0,0,0,2,0|2,0,0]=4 671 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb9817076 [0,0,0,0,2,0|2,0,0]=4 672 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,0,0,0,2,0|1,0,1]=4 673 B12R1.27 O=C(CBr)COc1ccccc1 Amb20668077 [0,0,0,0,2,0|2,0,0]=4 674 B12R1.27 O=C(CBr)NCc1ccccc1 Amb2221074 [0,0,0,0,2,0|2,0,0]=4 675 B12R1.27 O=C(CBr)OCc1ccccc1 Amb2720586 [0,0,0,0,2,0|1,0,0]=3 676 B12R1.27 O=C(CCl)CCc1ccccc1 Amb17139043 [0,0,0,0,2,0|1,0,1]=4 677 B12R1.27 O=C(CCl)COc1ccccc1 Amb17139095 [0,0,0,0,2,0|2,0,0]=4 678 B12R1.27 O=C(CCl)CSc1ccccc1 Amb32435047 [0,0,0,0,2,0|2,0,0]=4 679 B12R1.27 O=C(CCl)NCc1ccccc1 Amb6324481 [0,0,0,0,2,0|2,0,0]=4 680 B12R1.27 O=C(CCl)OCc1ccccc1 Amb844249 [0,0,0,0,2,0|1,0,0]=3 681 B12R1.27 O=C(CF)NCc1ccccc1 Amb27237611 [0,0,0,0,2,0|2,0,0]=4 682 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,0,0,0,2,0|2,0,0]=4 683 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,0,0,0,2,0|1,0,0]=3 684 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [0,0,0,0,2,0|1,0,1]=4 685 B12R1.27 O=C(CO)COc1ccccc1 Amb18563713 [0,0,0,0,2,0|2,0,0]=4 686 B12R1.27 O=C(CO)NCc1ccccc1 Amb1111331 [0,0,0,0,2,0|2,0,0]=4 687 B12R1.27 O=C(CO)OCc1ccccc1 Amb3939223 [0,0,0,0,2,0|1,0,0]=3 688 B12R1.27 O=C(CS)OCc1ccccc1 Amb9786411 [0,0,0,0,2,0|1,0,0]=3 689 B12R1.27 O=C(NCl)OCc1ccccc1 Amb21948731 [0,0,0,0,2,0|2,0,0]=4 690 B12R1.27 O=C(NO)OCc1ccccc1 Amb2445312 [0,0,0,0,2,0|2,0,0]=4 691 B12R1.27 O=C(\C=C\c1ccccc1)CBr Amb17596167 [0,0,0,0,2,0|1,0,0]=3 692 B12R1.27 O=C(\C=C\c1ccccc1)CCl Amb17594640 [0,0,0,0,2,0|1,0,0]=3 693 B12R1.27 O=C(\C=C\c1ccccc1)N[O-] Amb27185829 [0,0,0,0,2,0|2,0,0]=4 694 B12R1.27 O=CC(=O)OCc1ccccc1 Amb18645967 [0,0,0,0,2,0|1,0,1]=4 695 B12R1.27 OCC(=S)OCc1ccccc1 Amb27835138 [0,0,0,0,2,0|1,1,0]=4 696 B12R1.27 [NH3+]CC(=O)OCc1ccccc1 Amb4037912 [0,0,0,0,2,0|1,0,0]=3 697 B16R1.1166 CCC(=O)OCCCNCc1ccccc1 Amb18266488 [0,0,0,0,0,2|0,0,2]=4