0 B16R2.29786 CCOC(=O)C1OC1(C)c2ccccc2 Amb4303823 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.1342 CCNC(=O)[C@H]1C[C@@H]1c2ccccc2 Amb27841339 [1,0,0,0,0,0|2,0,0]=3 2 B15R2.1342 CCNC(=O)[C@H]1C[C@H]1c2ccccc2 Amb28318863 [1,0,0,0,0,0|2,0,0]=3 3 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 Amb2610679 [1,0,0,0,0,0|1,0,0]=2 4 B15R2.1342 CCOC(=O)C1CC1c2cccnc2 Amb22000947 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.1342 CCOC(=O)C1CC1c2ncccn2 Amb35826263 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.1342 CCOC(=O)C1OC1c2ccccc2 Amb6356367 [1,0,0,0,0,0|0,0,0]=1 7 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1c2ccccc2 Amb10075604 [1,0,0,0,0,0|1,0,0]=2 8 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb33523702 [1,0,0,0,0,0|1,0,0]=2 9 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1c2ccncc2 Amb32684556 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.1342 C\C=C\C(=O)C1CC1c2ccccc2 Amb28367862 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.1483 CC1(c2ccccc2)CC1\C=C\CO Amb27805099 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.1483 CC1(c2ccccc2)OC1\C=C\C=O Amb24456668 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.19346 CCC(O)C1CC1(C)c2ccccc2 Amb28077970 [1,0,0,0,0,0|1,0,2]=4 14 B15R2.19346 CCC(O)C1OC1(C)c2ccccc2 Amb27208190 [1,0,0,0,0,0|0,0,2]=3 15 B15R2.19346 CC[C@@H](O)[C@@H]1C[C@@]1(C)c2ccccc2 Amb27980570 [1,0,0,0,0,0|1,0,2]=4 16 B15R2.19346 COC(=O)C1OC1(C)c2ccccc2 Amb24066728 [1,0,0,0,0,0|0,0,0]=1 17 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(Br)cc2 Amb32699001 [0,1,0,0,0,0|0,0,0]=1 18 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(C)cc2 Amb32698909 [0,1,0,0,0,0|0,0,0]=1 19 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(Cl)cc2 Amb32698992 [0,1,0,0,0,0|0,0,0]=1 20 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(F)cc2 Amb32698925 [0,1,0,0,0,0|0,0,0]=1 21 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(F)cn2 Amb32698934 [0,1,0,0,0,0|1,0,0]=2 22 B17R2.6218 CCOC(=O)C1OC1(C)c2ccc(I)cc2 Amb32699010 [0,1,0,0,0,0|0,0,0]=1 23 B17R2.49378 CCOC(=O)C1OC1(CC)c2ccccc2 Amb32698913 [0,1,0,0,0,0|0,0,0]=1 24 B17R2.49383 CCOC(=O)C1OC1(C)c2cccc(Br)c2 Amb32699004 [0,1,0,0,0,0|0,0,0]=1 25 B17R2.49383 CCOC(=O)C1OC1(C)c2cccc(C)c2 Amb32698906 [0,1,0,0,0,0|0,0,0]=1 26 B17R2.49383 CCOC(=O)C1OC1(C)c2cccc(Cl)c2 Amb32698995 [0,1,0,0,0,0|0,0,0]=1 27 B17R2.49383 CCOC(=O)C1OC1(C)c2cccc(F)c2 Amb32698928 [0,1,0,0,0,0|0,0,0]=1 28 B17R2.50366 CCOC(=O)[C@@]1(N)C[C@@]1(C)c2ccccc2 Amb33746770 [0,1,0,0,0,0|1,0,0]=2 29 B17R2.319536 CCOC(=O)C1OC1(C)c2ccccc2Br Amb32699007 [0,1,0,0,0,0|0,0,0]=1 30 B17R2.319536 CCOC(=O)C1OC1(C)c2ccccc2C Amb32698916 [0,1,0,0,0,0|0,0,0]=1 31 B17R2.319536 CCOC(=O)C1OC1(C)c2ccccc2Cl Amb32698989 [0,1,0,0,0,0|0,0,0]=1 32 B17R2.319536 CCOC(=O)C1OC1(C)c2ccccc2F Amb32698922 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.89 CCCC(=O)OCC(C)c1ccccc1 Amb6357445 [0,0,1,0,0,0|3,0,0]=4 34 B15R1.89 CCOC(=O)CCC(=O)c1ccccc1 Amb6305630 [0,0,1,0,0,0|2,0,1]=4 35 B15R1.89 CCOC(=O)CCC(Br)c1ccccc1 Amb24089411 [0,0,1,0,0,0|2,0,0]=3 36 B15R1.89 CCOC(=O)CCC(Cl)c1ccccc1 Amb17217298 [0,0,1,0,0,0|2,0,0]=3 37 B15R1.89 CCOC(=O)CCC(N)c1cccnc1 Amb24117099 [0,0,1,0,0,0|3,0,0]=4 38 B15R1.89 CCOC(=O)CCC(N)c1cccnc1 Amb30876862 [0,0,1,0,0,0|3,0,0]=4 39 B15R1.89 CCOC(=O)CCC(O)c1ccccc1 Amb32666885 [0,0,1,0,0,0|2,0,0]=3 40 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 Amb6356937 [0,0,1,0,0,0|2,0,1]=4 41 B15R1.89 CCOC(=O)CNC(C)c1ccccc1 Amb6706943 [0,0,1,0,0,0|1,0,0]=2 42 B15R1.89 CCOC(=O)CN[C@@H](C)c1ccccc1 Amb17739848 [0,0,1,0,0,0|1,0,0]=2 43 B15R1.89 CCOC(=O)CN[C@H](C)c1ccccc1 Amb17935772 [0,0,1,0,0,0|1,0,0]=2 44 B15R1.89 CCOC(=O)\C=N/[C@@H](C)c1ccccc1 Amb32405805 [0,0,1,0,0,0|1,0,1]=3 45 B15R1.578 CCOC(=O)C(=O)N(C)c1ccccc1 Amb3887122 [0,0,1,0,0,0|1,0,2]=4 46 B15R1.578 CCOC(=O)C(Br)C(=O)c1ccccc1 Amb2608753 [0,0,1,0,0,0|2,0,1]=4 47 B15R1.578 CCOC(=O)C(Br)C(Br)c1ccccc1 Amb2726210 [0,0,1,0,0,0|2,0,0]=3 48 B15R1.578 CCOC(=O)C(C)C(=O)c1ccccc1 Amb10573089 [0,0,1,0,0,0|2,0,1]=4 49 B15R1.578 CCOC(=O)C(C)C(N)c1ccccc1 Amb33740728 [0,0,1,0,0,0|2,0,0]=3 50 B15R1.578 CCOC(=O)C(Cl)C(=O)c1ccccc1 Amb20247663 [0,0,1,0,0,0|2,0,1]=4 51 B15R1.578 CCOC(=O)C(F)C(=O)c1ccccc1 Amb24065617 [0,0,1,0,0,0|2,0,1]=4 52 B15R1.578 CCOC(=O)C(F)S(=O)c1ccccc1 Amb31031235 [0,0,1,0,0,0|3,0,0]=4 53 B15R1.578 CCOC(=O)C(N)C(C)c1ccccc1 Amb33507320 [0,0,1,0,0,0|1,0,0]=2 54 B15R1.578 CCOC(=O)C(N)C(O)c1ccccc1 Amb2697346 [0,0,1,0,0,0|2,0,0]=3 55 B15R1.578 CCOC(=O)C(N)C(O)c1ccccc1 Amb33534208 [0,0,1,0,0,0|2,0,0]=3 56 B15R1.578 CCOC(=O)C(N)C(O)c1ccccn1 Amb32670725 [0,0,1,0,0,0|3,0,0]=4 57 B15R1.578 CCOC(=O)C(N)C(O)c1cccnc1 Amb31146655 [0,0,1,0,0,0|3,0,0]=4 58 B15R1.578 CCOC(=O)C(N)C(O)c1cccnc1 Amb32655808 [0,0,1,0,0,0|3,0,0]=4 59 B15R1.578 CCOC(=O)C(N)C(O)c1ccncc1 Amb28963682 [0,0,1,0,0,0|3,0,0]=4 60 B15R1.578 CCOC(=O)C(N)C(O)c1ccncc1 Amb32670741 [0,0,1,0,0,0|3,0,0]=4 61 B15R1.578 CCOC(=O)C(O)C(N)c1ccccc1 Amb32753535 [0,0,1,0,0,0|1,0,0]=2 62 B15R1.578 CCOC(=O)C(O)C(N)c1ccccc1 Amb32753536 [0,0,1,0,0,0|1,0,0]=2 63 B15R1.578 CCOC(=O)C([NH3+])C(O)c1ccccc1 Amb4241318 [0,0,1,0,0,0|2,0,0]=3 64 B15R1.578 CCOC(=O)[C@H](O)[C@@H](N)c1ccccc1 Amb32684474 [0,0,1,0,0,0|1,0,0]=2 65 B15R1.578 CCOC(=O)[C@H](O)[C@@H](N)c1ccccc1 Amb32684475 [0,0,1,0,0,0|1,0,0]=2 66 B15R1.578 CCOC(=O)[C@H](O)[C@H](N)c1ccccc1 Amb33872534 [0,0,1,0,0,0|1,0,0]=2 67 B15R1.807 CCOC(=O)CC(C)(N)c1ccccc1 Amb23443928 [0,0,1,0,0,0|1,0,0]=2 68 B15R1.807 CCOC(=O)CC(C)(N)c1ccccc1 Amb32729390 [0,0,1,0,0,0|1,0,0]=2 69 B15R1.807 CCOC(=O)CC(C)(N)c1ccccn1 Amb33746108 [0,0,1,0,0,0|2,0,0]=3 70 B15R1.807 CCOC(=O)CC(C)(N)c1cccnc1 Amb33746117 [0,0,1,0,0,0|2,0,0]=3 71 B15R1.807 CCOC(=O)CC(C)(N)c1ccncc1 Amb33748927 [0,0,1,0,0,0|2,0,0]=3 72 B15R1.807 CCOC(=O)CC(C)(O)c1ccccc1 Amb4405322 [0,0,1,0,0,0|0,0,0]=1 73 B15R1.807 CCOC(=O)CS(=O)(=O)c1ccccc1 Amb2408281 [0,0,1,0,0,0|2,0,1]=4 74 B17R3.61509 CC1CC(C)C2OC2(c3ccccc3)C1 Amb32659648 [0,0,0,1,0,0|2,0,1]=4 75 B17R2.49384 CCOC(=O)C1OC1(C)Cc2ccccc2 Amb32698919 [0,0,0,0,0,1|0,0,0]=1 76 B14R1.38 CCOCCNC(C)c1ccccc1 Amb9240998 [1,0,1,0,0,0|1,0,1]=4 77 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb10610596 [1,0,1,0,0,0|2,0,0]=4 78 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [1,0,1,0,0,0|2,0,0]=4 79 B14R1.163 COC(=O)CNC(C)c1ccccc1 Amb4035922 [1,0,1,0,0,0|1,0,0]=3 80 B14R1.163 COC(=O)CN[C@@H](C)c1ccccc1 Amb34158023 [1,0,1,0,0,0|1,0,0]=3 81 B14R1.520 CCCC(=O)CNCc1ccccc1 Amb33308018 [1,0,1,0,0,0|2,0,0]=4 82 B14R1.520 CCCC(=O)COCc1ccccc1 Amb19078959 [1,0,1,0,0,0|1,0,0]=3 83 B14R1.520 CCCC(=O)CSCc1ccccc1 Amb32683101 [1,0,1,0,0,0|1,1,0]=4 84 B14R1.520 CCCC(=O)NOCc1ccccc1 Amb15742562 [1,0,1,0,0,0|2,0,0]=4 85 B14R1.520 CCNC(=N)COCc1ccccc1 Amb28385912 [1,0,1,0,0,0|2,0,0]=4 86 B14R1.520 CCOC(=O)C#CCc1ccccc1 Amb26505964 [1,0,1,0,0,0|1,0,1]=4 87 B14R1.520 CCOC(=O)CCCc1ccccc1 Amb3939013 [1,0,1,0,0,0|1,0,0]=3 88 B14R1.520 CCOC(=O)CCNc1ccccc1 Amb9026190 [1,0,1,0,0,0|2,0,0]=4 89 B14R1.520 CCOC(=O)CCOc1ccccc1 Amb6357771 [1,0,1,0,0,0|2,0,0]=4 90 B14R1.520 CCOC(=O)CCSc1ccccc1 Amb8867120 [1,0,1,0,0,0|2,0,0]=4 91 B14R1.520 CCOC(=O)CNCc1ccccc1 Amb2720025 [1,0,1,0,0,0|1,0,0]=3 92 B14R1.520 CCOC(=O)CNCc1ccccc1 Amb6335212 [1,0,1,0,0,0|1,0,0]=3 93 B14R1.520 CCOC(=O)COCc1ccccc1 Amb7764605 [1,0,1,0,0,0|0,0,0]=2 94 B14R1.520 CCOC(=O)C\C=C\c1ccccc1 Amb34916573 [1,0,1,0,0,0|1,0,1]=4 95 B14R1.520 CCOC(=O)C\N=C\c1ccccc1 Amb8394336 [1,0,1,0,0,0|1,0,1]=4 96 B14R1.520 CCOC(=O)NCCc1ccccc1 Amb6358963 [1,0,1,0,0,0|2,0,0]=4 97 B14R1.520 CCOC(=O)NOCc1ccccc1 Amb27611822 [1,0,1,0,0,0|1,0,0]=3 98 B14R1.520 CCOC(=O)\C=C/Cc1ccccc1 Amb6295788 [1,0,1,0,0,0|1,0,1]=4 99 B14R1.520 CCOC(=O)\C=C\Cc1ccccc1 Amb10873144 [1,0,1,0,0,0|1,0,1]=4 100 B14R1.520 CCO[PH](=O)CNCc1ccccc1 Amb28203972 [1,0,1,0,0,0|2,0,0]=4 101 B14R1.520 CONC(=O)COCc1ccccc1 Amb27483753 [1,0,1,0,0,0|2,0,0]=4 102 B14R1.29 CCNC(=O)CC(N)c1ccccc1 Amb6280643 [1,0,1,0,0,0|2,0,0]=4 103 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 Amb27827991 [1,0,1,0,0,0|2,0,0]=4 104 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 Amb28325812 [1,0,1,0,0,0|2,0,0]=4 105 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 Amb1212681 [1,0,1,0,0,0|0,0,2]=4 106 B14R1.29 CCOC(=O)CC(N)c1ccccc1 Amb4246797 [1,0,1,0,0,0|1,0,0]=3 107 B14R1.29 CCOC(=O)CC(N)c1ccccc1 Amb595536 [1,0,1,0,0,0|1,0,0]=3 108 B14R1.29 CCOC(=O)CC(N)c1ccccn1 Amb7800582 [1,0,1,0,0,0|2,0,0]=4 109 B14R1.29 CCOC(=O)CC(N)c1cccnc1 Amb22496800 [1,0,1,0,0,0|2,0,0]=4 110 B14R1.29 CCOC(=O)CC(N)c1cccnc1 Amb2697507 [1,0,1,0,0,0|2,0,0]=4 111 B14R1.29 CCOC(=O)CC(N)c1ccncc1 Amb22495263 [1,0,1,0,0,0|2,0,0]=4 112 B14R1.29 CCOC(=O)CC(N)c1ccncc1 Amb7800559 [1,0,1,0,0,0|2,0,0]=4 113 B14R1.29 CCOC(=O)CC(O)c1ccccc1 Amb4017744 [1,0,1,0,0,0|0,0,0]=2 114 B14R1.29 CCOC(=O)CC(O)c1cccnc1 Amb9704295 [1,0,1,0,0,0|1,0,0]=3 115 B14R1.29 CCOC(=O)CC([NH3+])c1ccccc1 Amb5722513 [1,0,1,0,0,0|1,0,0]=3 116 B14R1.29 CCOC(=O)CN(C)c1ccccn1 Amb19042528 [1,0,1,0,0,0|2,0,0]=4 117 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb19051013 [1,0,1,0,0,0|1,0,0]=3 118 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb8516393 [1,0,1,0,0,0|1,0,0]=3 119 B14R1.29 CCOC(=O)C[C@@H](N)c1cccnc1 Amb19051578 [1,0,1,0,0,0|2,0,0]=4 120 B14R1.29 CCOC(=O)C[C@@H](N)c1cccnc1 Amb8631181 [1,0,1,0,0,0|2,0,0]=4 121 B14R1.29 CCOC(=O)C[C@@H](O)c1ccccc1 Amb10070415 [1,0,1,0,0,0|0,0,0]=2 122 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 Amb6365658 [1,0,1,0,0,0|1,0,0]=3 123 B14R1.29 CCOC(=O)C[C@H](N)c1cccnc1 Amb19887623 [1,0,1,0,0,0|2,0,0]=4 124 B14R1.29 CCOC(=O)C[C@H](N)c1cccnc1 Amb35788621 [1,0,1,0,0,0|2,0,0]=4 125 B14R1.29 CCOC(=O)C[C@H](O)c1ccccc1 Amb6356330 [1,0,1,0,0,0|0,0,0]=2 126 B14R1.29 CCOC(=O)\C=C(/C)c1ccccc1 Amb8391067 [1,0,1,0,0,0|0,0,2]=4 127 B14R1.29 CCOC(=O)\C=C(\C)c1ccccc1 Amb10566527 [1,0,1,0,0,0|0,0,2]=4 128 B14R1.60 CCNC(=O)C(N)Cc1ccccc1 Amb6272689 [1,0,1,0,0,0|2,0,0]=4 129 B14R1.60 CCNC(=O)C(O)Cc1ccccc1 Amb32663008 [1,0,1,0,0,0|1,0,0]=3 130 B14R1.60 CCNC(=O)[C@@H](N)Cc1ccccc1 Amb17235472 [1,0,1,0,0,0|2,0,0]=4 131 B14R1.60 CCNC(=O)[C@@H](O)Cc1ccccc1 Amb32663961 [1,0,1,0,0,0|1,0,0]=3 132 B14R1.60 CCOC(=O)C(=O)Cc1ccccc1 Amb28989403 [1,0,1,0,0,0|0,0,2]=4 133 B14R1.60 CCOC(=O)C(Br)Cc1ccccc1 Amb2794053 [1,0,1,0,0,0|1,0,0]=3 134 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 Amb17940943 [1,0,1,0,0,0|2,0,0]=4 135 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 Amb6334959 [1,0,1,0,0,0|1,0,0]=3 136 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 Amb7762211 [1,0,1,0,0,0|1,0,0]=3 137 B14R1.60 CCOC(=O)C(N)Cc1ccccn1 Amb22498620 [1,0,1,0,0,0|2,0,0]=4 138 B14R1.60 CCOC(=O)C(N)Cc1ccccn1 Amb3788557 [1,0,1,0,0,0|2,0,0]=4 139 B14R1.60 CCOC(=O)C(N)Cc1cccnc1 Amb3788558 [1,0,1,0,0,0|2,0,0]=4 140 B14R1.60 CCOC(=O)C(N)Cc1ccncc1 Amb20622578 [1,0,1,0,0,0|2,0,0]=4 141 B14R1.60 CCOC(=O)C(N)Cc1ccncc1 Amb3788559 [1,0,1,0,0,0|2,0,0]=4 142 B14R1.60 CCOC(=O)C(O)Cc1ccccc1 Amb19079971 [1,0,1,0,0,0|0,0,0]=2 143 B14R1.60 CCOC(=O)C(O)Nc1ccccn1 Amb24095646 [1,0,1,0,0,0|2,0,0]=4 144 B14R1.60 CCOC(=O)N(C)Cc1ccccc1 Amb3095224 [1,0,1,0,0,0|2,0,0]=4 145 B14R1.60 CCOC(=O)N(O)Cc1ccccc1 Amb28248736 [1,0,1,0,0,0|1,0,0]=3 146 B14R1.60 CCOC(=O)[C@@H](N)Cc1ccccc1 Amb10844617 [1,0,1,0,0,0|1,0,0]=3 147 B14R1.60 CCOC(=O)[C@@H](N)Cc1ccccc1 Amb2725501 [1,0,1,0,0,0|1,0,0]=3 148 B14R1.60 CCOC(=O)[C@@H](N)Cc1ccncc1 Amb33804700 [1,0,1,0,0,0|2,0,0]=4 149 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb19889827 [1,0,1,0,0,0|1,0,0]=3 150 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb3940062 [1,0,1,0,0,0|1,0,0]=3 151 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccn1 Amb33804617 [1,0,1,0,0,0|2,0,0]=4 152 B14R1.85 CNC(=O)C(Cl)C(C)c1ccccc1 Amb27217826 [1,0,1,0,0,0|2,0,0]=4 153 B14R1.85 CNC(=O)C(O)C(C)c1ccccc1 Amb27602292 [1,0,1,0,0,0|1,0,0]=3 154 B14R1.85 CNC(=O)C(O)C(N)c1ccccc1 Amb27224926 [1,0,1,0,0,0|2,0,0]=4 155 B14R1.85 CNC(=O)[C@H](O)[C@@H](N)c1ccccc1 Amb27390027 [1,0,1,0,0,0|2,0,0]=4 156 B14R1.85 COC(=O)C(=O)C(C)c1ccccc1 Amb17139343 [1,0,1,0,0,0|0,0,2]=4 157 B14R1.85 COC(=O)C(C)C(N)c1ccccc1 Amb20623659 [1,0,1,0,0,0|2,0,0]=4 158 B14R1.85 COC(=O)C(C)C(N)c1ccccc1 Amb32644838 [1,0,1,0,0,0|2,0,0]=4 159 B14R1.85 COC(=O)C(Cl)C(C)c1ccccc1 Amb22059076 [1,0,1,0,0,0|1,0,0]=3 160 B14R1.85 COC(=O)C(N)C(C)c1ccccc1 Amb19013065 [1,0,1,0,0,0|1,0,0]=3 161 B14R1.85 COC(=O)C(N)C(C)c1ccccc1 Amb33534536 [1,0,1,0,0,0|1,0,0]=3 162 B14R1.85 COC(=O)[C@@H](O)[C@@H](N)c1ccccc1 Amb23439859 [1,0,1,0,0,0|1,0,0]=3 163 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)c1ccccc1 Amb17844463 [1,0,1,0,0,0|1,0,0]=3 164 B14R1.85 COC(=O)[C@@H](O)[C@H](N)c1ccccc1 Amb22744727 [1,0,1,0,0,0|1,0,0]=3 165 B14R1.85 COC(=O)[C@H](O)[C@@H](N)c1ccccc1 Amb10603125 [1,0,1,0,0,0|1,0,0]=3 166 B14R1.85 COC(=O)[C@H](O)[C@H](N)c1ccccc1 Amb32409396 [1,0,1,0,0,0|1,0,0]=3 167 B14R1.741 CC(O)(CC(=O)NN)c1ccccc1 Amb28137334 [1,0,1,0,0,0|2,0,0]=4 168 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 Amb578902 [1,0,1,0,0,0|1,0,0]=3 169 B14R1.741 COC(=O)CC(C)(N)c1ccccc1 Amb33249700 [1,0,1,0,0,0|1,0,0]=3 170 B14R1.741 COC(=O)CC(C)(N)c1ccccn1 Amb33278257 [1,0,1,0,0,0|2,0,0]=4 171 B14R1.741 COC(=O)CC(C)(N)c1cccnc1 Amb33109790 [1,0,1,0,0,0|2,0,0]=4 172 B14R1.741 COC(=O)CC(C)(N)c1ccncc1 Amb33292532 [1,0,1,0,0,0|2,0,0]=4 173 B14R2.66 ClC\C=C\[C@H]1O[C@@H]1c2ccccc2 Amb27865531 [2,0,0,0,0,0|2,0,0]=4 174 B14R2.66 OC\C=C\C1OC1c2ccccc2 Amb27969017 [2,0,0,0,0,0|2,0,0]=4 175 B14R2.958 CCC(=O)[C@H]1CC1c2ccccc2 Amb28126605 [2,0,0,0,0,0|1,0,0]=3 176 B14R2.958 CNC(=O)[C@H]1O[C@@H]1c2ccccc2 Amb27255278 [2,0,0,0,0,0|1,0,0]=3 177 B14R2.958 COC(=O)C1CC1c2ccccc2 Amb6740592 [2,0,0,0,0,0|1,0,0]=3 178 B14R2.958 COC(=O)C1CC1c2ccccn2 Amb25957540 [2,0,0,0,0,0|2,0,0]=4 179 B14R2.958 COC(=O)C1CC1c2cccnc2 Amb25852071 [2,0,0,0,0,0|2,0,0]=4 180 B14R2.958 COC(=O)C1N=C1c2ccccc2 Amb22325239 [2,0,0,0,0,0|1,0,1]=4 181 B14R2.958 COC(=O)C1NC1c2ccccc2 Amb33624814 [2,0,0,0,0,0|1,0,0]=3 182 B14R2.958 COC(=O)C1OC1c2ccccc2 Amb3940627 [2,0,0,0,0,0|0,0,0]=2 183 B14R2.958 COC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb24526297 [2,0,0,0,0,0|1,0,0]=3 184 B14R2.958 COC(=O)[C@@H]1C[C@H]1c2ccccn2 Amb24617301 [2,0,0,0,0,0|2,0,0]=4 185 B14R2.958 COC(=O)[C@@H]1O[C@@H]1c2ccccc2 Amb27626014 [2,0,0,0,0,0|0,0,0]=2 186 B14R2.958 COC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb25961866 [2,0,0,0,0,0|0,0,0]=2 187 B14R2.958 COC(=O)[C@H]1O[C@H]1c2ccccc2 Amb26612812 [2,0,0,0,0,0|0,0,0]=2 188 B14R2.958 NCC(=O)C1CC1c2ccccc2 Amb27811597 [2,0,0,0,0,0|2,0,0]=4 189 B14R2.958 NNC(=O)C1OC1c2ccccc2 Amb28045849 [2,0,0,0,0,0|2,0,0]=4 190 B14R2.958 NNC(=O)[C@H]1O[C@@H]1c2ccccc2 Amb27650747 [2,0,0,0,0,0|2,0,0]=4 191 B14R2.958 O=C(CBr)[C@@H]1C[C@H]1c2ccccc2 Amb35752595 [2,0,0,0,0,0|2,0,0]=4 192 B14R2.958 O=C(CCl)C1CC1c2ccccc2 Amb27609156 [2,0,0,0,0,0|2,0,0]=4 193 B14R2.9520 CC1(c2ccccc2)CC1C(=O)O Amb4114255 [2,0,0,0,0,0|1,0,0]=3 194 B14R2.9520 CC1(c2ccccc2)OC1C(=O)Cl Amb25799596 [2,0,0,0,0,0|1,0,0]=3 195 B14R2.9520 CC1(c2cccnc2)CC1C(=O)O Amb18285805 [2,0,0,0,0,0|2,0,0]=4 196 B14R2.9520 C[C@@]1(c2ccccc2)O[C@@H]1C(=O)Cl Amb28137822 [2,0,0,0,0,0|1,0,0]=3 197 B14R2.9520 C[C@]1(c2ccccc2)C[C@@H]1C(=O)O Amb26441864 [2,0,0,0,0,0|1,0,0]=3 198 B14R2.9520 C[C@]1(c2ccccc2)C[C@@H]1C(N)=O Amb27876029 [2,0,0,0,0,0|2,0,0]=4 199 B14R2.9520 C[C@]1(c2ccccc2)C[C@H]1C(=O)O Amb25176089 [2,0,0,0,0,0|1,0,0]=3 200 B14R2.9520 C[C@]1(c2ccccc2)O[C@H]1C(=O)Cl Amb27455502 [2,0,0,0,0,0|1,0,0]=3 201 B14R2.9520 O=C(O)C1CC1(Cl)c2ccccc2 Amb27165746 [2,0,0,0,0,0|2,0,0]=4 202 B14R2.9520 O=C(O)C1CC1(F)c2ccccc2 Amb8389489 [2,0,0,0,0,0|2,0,0]=4 203 B14R2.9520 O=C(O)[C@@H]1C[C@@]1(F)c2ccccc2 Amb25213297 [2,0,0,0,0,0|2,0,0]=4 204 B14R2.9520 O=C(O)[C@@H]1C[C@]1(F)c2ccccc2 Amb24538835 [2,0,0,0,0,0|2,0,0]=4 205 B14R2.9520 O=C(O)[C@H]1C[C@]1(F)c2ccccc2 Amb27781075 [2,0,0,0,0,0|2,0,0]=4 206 B16R1.58 CCOC(=O)CCC(Cl)c1ccc(C)cc1 Amb17217299 [0,1,1,0,0,0|2,0,0]=4 207 B16R1.58 CCOC(=O)CCC(Cl)c1ccc(Cl)cc1 Amb17217302 [0,1,1,0,0,0|2,0,0]=4 208 B16R1.58 CCOC(=O)CCC(Cl)c1ccc(F)cc1 Amb17217303 [0,1,1,0,0,0|2,0,0]=4 209 B16R1.59 CCOC(=O)CNC(C)c1cccc(Br)c1 Amb22058821 [0,1,1,0,0,0|1,0,0]=3 210 B16R1.912 CCOC(=O)C(=O)NC(C)c1ccccc1 Amb2716393 [0,1,1,0,0,0|1,0,1]=4 211 B16R1.912 CCOC(=O)C(N)CC(C)c1ccccc1 Amb33804641 [0,1,1,0,0,0|1,0,0]=3 212 B16R1.915 CCOC(=O)CC(N)C(C)c1ccccc1 Amb33495526 [0,1,1,0,0,0|1,0,0]=3 213 B16R1.13666 CCOC(=O)CNC(C#N)c1ccccc1 Amb17621567 [0,1,1,0,0,0|1,0,1]=4 214 B16R1.13666 CCOC(=O)CNC(C#N)c1ccccc1 Amb4421484 [0,1,1,0,0,0|1,0,1]=4 215 B16R1.685 CCOC(=O)C(C)C(C)c1ccc(F)cc1 Amb33465520 [0,1,1,0,0,0|1,0,0]=3 216 B16R1.685 CCOC(=O)C(C)C(N)c1ccc(Br)cc1 Amb33738254 [0,1,1,0,0,0|2,0,0]=4 217 B16R1.685 CCOC(=O)C(N)C(O)c1ccc(Cl)cc1 Amb28556626 [0,1,1,0,0,0|2,0,0]=4 218 B16R1.685 CCOC(=O)C(N)C(O)c1ccc(Cl)cc1 Amb32718703 [0,1,1,0,0,0|2,0,0]=4 219 B16R1.951 CCOC(=O)C(CC)C(O)c1ccccc1 Amb19515279 [0,1,1,0,0,0|2,0,0]=4 220 B16R1.14944 CCOC(=O)C(N)C(F)(F)c1ccccc1 Amb22325273 [0,1,1,0,0,0|2,0,0]=4 221 B16R1.15329 CCOC(=O)C(C)(C)C(N)c1ccccc1 Amb33738889 [0,1,1,0,0,0|2,0,0]=4 222 B16R1.15329 CCOC(=O)C(C)(C)C(O)c1ccccc1 Amb10554650 [0,1,1,0,0,0|2,0,0]=4 223 B16R1.15329 CCOC(=O)C(F)(F)C(N)c1ccccc1 Amb22831238 [0,1,1,0,0,0|2,0,0]=4 224 B16R1.15329 CCOC(=O)C(F)(F)C(N)c1ccccc1 Amb28557258 [0,1,1,0,0,0|2,0,0]=4 225 B16R1.15329 CCOC(=O)C(F)(F)C(O)c1ccccc1 Amb22461033 [0,1,1,0,0,0|2,0,0]=4 226 B16R1.953 CCOC(=O)CC(C)(F)c1ccc(Cl)cc1 Amb22546817 [0,1,1,0,0,0|1,0,0]=3 227 B16R1.953 CCOC(=O)CC(C)(N)c1ccc(Br)cc1 Amb33735229 [0,1,1,0,0,0|1,0,0]=3 228 B16R1.953 CCOC(=O)CC(C)(N)c1ccc(F)cc1 Amb33746490 [0,1,1,0,0,0|1,0,0]=3 229 B16R1.953 CCOC(=O)CC(C)(O)c1ccc(Cl)cc1 Amb32663410 [0,1,1,0,0,0|0,0,0]=2 230 B16R1.953 CCOC(=O)NC(C)(C)c1ccc(Cl)cc1 Amb16902445 [0,1,1,0,0,0|2,0,0]=4 231 B16R1.954 CCOC(=O)CC(C)(N)c1cccc(F)c1 Amb33746491 [0,1,1,0,0,0|1,0,0]=3 232 B16R1.954 CCOC(=O)CC(C)(O)c1cccc(O)c1 Amb19148127 [0,1,1,0,0,0|0,0,0]=2 233 B16R1.15350 CCOC(=O)CC(C)(N)c1ccccc1F Amb33728240 [0,1,1,0,0,0|1,0,0]=3 234 B16R2.723 CCOC(=O)C1CC1c2ccc(C)cc2 Amb1945566 [1,1,0,0,0,0|1,0,0]=3 235 B16R2.723 CCOC(=O)C1CC1c2ccc(Cl)cc2 Amb1946355 [1,1,0,0,0,0|1,0,0]=3 236 B16R2.723 CCOC(=O)C1CC1c2ccc(O)cc2 Amb33714582 [1,1,0,0,0,0|1,0,0]=3 237 B16R2.723 CCOC(=O)[C@@H]1C[C@H]1c2ccc(Br)cc2 Amb33521772 [1,1,0,0,0,0|1,0,0]=3 238 B16R2.723 CCOC(=O)[C@@H]1C[C@H]1c2ccc(Br)nc2 Amb28989667 [1,1,0,0,0,0|2,0,0]=4 239 B16R2.723 CCOC(=O)[C@@H]1C[C@H]1c2ccc(N)cc2 Amb33731854 [1,1,0,0,0,0|1,0,0]=3 240 B16R2.723 CCOC(=O)[C@H]1C[C@@H]1c2ccc(Br)nc2 Amb33805933 [1,1,0,0,0,0|2,0,0]=4 241 B16R2.779 CCOC(=O)C1(C)OC1c2ccccc2 Amb19960033 [1,1,0,0,0,0|0,0,0]=2 242 B16R2.779 CCOC(=O)C1(N)CC1c2ccccc2 Amb22546286 [1,1,0,0,0,0|1,0,0]=3 243 B16R2.28948 CCOC(=O)C1CC1c2cccc(N)c2 Amb33231430 [1,1,0,0,0,0|1,0,0]=3 244 B16R2.29477 CCOC(=O)[C@@H]1C[C@H]1c2cnccc2C Amb33483320 [1,1,0,0,0,0|2,0,0]=4 245 B16R2.1225 COC(=O)C1OC1(C)c2ccc(Br)cc2 Amb24522105 [1,1,0,0,0,0|0,0,0]=2 246 B16R2.1225 COC(=O)C1OC1(C)c2ccc(C)cc2 Amb26395418 [1,1,0,0,0,0|0,0,0]=2 247 B16R2.1225 COC(=O)C1OC1(C)c2ccc(Cl)cc2 Amb26358056 [1,1,0,0,0,0|0,0,0]=2 248 B16R2.1225 COC(=O)C1OC1(C)c2ccc(F)cc2 Amb24361131 [1,1,0,0,0,0|0,0,0]=2 249 B16R2.1225 COC(=O)C1OC1(C)c2ccc(F)cn2 Amb24698527 [1,1,0,0,0,0|1,0,0]=3 250 B16R2.1225 COC(=O)C1OC1(C)c2ccc(I)cc2 Amb24637591 [1,1,0,0,0,0|0,0,0]=2 251 B16R2.33439 CCC1(c2ccccc2)OC1C(=O)OC Amb32698911 [1,1,0,0,0,0|0,0,0]=2 252 B16R2.33444 COC(=O)C1OC1(C)c2cccc(Br)c2 Amb24345357 [1,1,0,0,0,0|0,0,0]=2 253 B16R2.33444 COC(=O)C1OC1(C)c2cccc(C)c2 Amb28054024 [1,1,0,0,0,0|0,0,0]=2 254 B16R2.33444 COC(=O)C1OC1(C)c2cccc(Cl)c2 Amb24429553 [1,1,0,0,0,0|0,0,0]=2 255 B16R2.33444 COC(=O)C1OC1(C)c2cccc(F)c2 Amb25767947 [1,1,0,0,0,0|0,0,0]=2 256 B16R2.34222 COC(=O)C1(C)OC1(C)c2ccccc2 Amb20623392 [1,1,0,0,0,0|0,0,0]=2 257 B16R2.34222 COC(=O)C1(Cl)OC1(C)c2ccccc2 Amb24625456 [1,1,0,0,0,0|0,0,0]=2 258 B16R2.34222 COC(=O)[C@@]1(N)C[C@@]1(C)c2ccccc2 Amb33737679 [1,1,0,0,0,0|1,0,0]=3 259 B16R2.168343 COC(=O)C1OC1(C)c2ccccc2Br Amb25127426 [1,1,0,0,0,0|0,0,0]=2 260 B16R2.168343 COC(=O)C1OC1(C)c2ccccc2C Amb25773531 [1,1,0,0,0,0|0,0,0]=2 261 B16R2.168343 COC(=O)C1OC1(C)c2ccccc2Cl Amb24449863 [1,1,0,0,0,0|0,0,0]=2 262 B16R2.168343 COC(=O)C1OC1(C)c2ccccc2F Amb25712510 [1,1,0,0,0,0|0,0,0]=2 263 B16R2.29468 CCOC(=O)C1OC1(C)c2ccc(C)s2 Amb32698898 [0,1,0,0,1,0|1,0,0]=3 264 B16R2.29468 CCOC(=O)C1OC1(C)c2cn(C)cn2 Amb33071079 [0,1,0,0,1,0|2,0,0]=4 265 B16R2.29468 CCOC(=O)C1OC1(C)c2cnn(C)c2 Amb33071073 [0,1,0,0,1,0|2,0,0]=4 266 B18R2.636404 CCOC(=O)C1(N)CC1(C)c2ccc(Br)cc2 Amb33745676 [0,2,0,0,0,0|1,0,0]=3 267 B18R2.636414 CCOC(=O)C1(C#N)CC1(C)c2ccccc2 Amb32418131 [0,2,0,0,0,0|1,0,0]=3 268 B16R2.7 CCOC1=NCC(c2ccccc2)CC1 Amb24091622 [0,0,1,1,0,0|2,0,0]=4 269 B16R2.14529 CC1(c2ccccc2)CCNC(=O)CC1 Amb28872566 [0,0,1,1,0,0|2,0,0]=4 270 B16R2.154585 CCCC(=O)C1CC(C)c2ccccc21 Amb27630630 [0,0,1,1,0,0|2,0,0]=4 271 B16R2.154585 CCOC(=O)[C@@H]1C[C@H](N)c2ccccc21 Amb33731814 [0,0,1,1,0,0|2,0,0]=4 272 B16R2.757 CCCC(=O)C1Cc2ccccc2C1C Amb29887228 [0,0,1,1,0,0|2,0,0]=4 273 B16R2.757 CCOC(=O)C1Oc2ccccc2C1=O Amb6357844 [0,0,1,1,0,0|1,0,1]=4 274 B16R2.757 CCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1N Amb1994034 [0,0,1,1,0,0|2,0,0]=4 275 B16R2.757 CCOC(=O)c1oc2ccccc2c1C Amb6355794 [0,0,1,1,0,0|0,0,2]=4 276 B16R2.766 CCOC(=O)[C@@H]1NC[C@H]1c2ccccc2 Amb33746763 [0,0,1,1,0,0|1,0,0]=3 277 B16R2.22306 CC1CC(C)(c2ccccc2)OC(C)O1 Amb534715 [0,0,1,1,0,0|1,0,1]=4 278 B16R2.29456 CCOC(=O)C1OC1(C)Cc2cccs2 Amb33071180 [0,0,1,1,0,0|1,0,1]=4 279 B16R2.29456 CCOC(=O)C1OC1(C)Cc2ccsc2 Amb33071185 [0,0,1,1,0,0|1,0,1]=4 280 B16R3.1782 c1ccc(C2OC2C3=NCCN3)cc1 Amb27964497 [1,0,0,1,0,0|2,0,0]=4 281 B16R3.2169 O=C1OCCC12OC2c3ccccc3 Amb25127951 [1,0,0,1,0,0|0,0,0]=2 282 B18R3.1057721 CCOC(=O)C1OC12Cc3ccccc3C2 Amb32698903 [0,0,0,1,0,1|0,0,0]=2 283 B18R3.7827 CCOC(=O)C1OC12CCc3ccccc32 Amb32698900 [0,1,0,1,0,0|0,0,0]=2 284 B14R1.510 CCOC(=O)C(C)(Br)c1ccccc1 Amb3429838 [0,0,1,0,1,0|1,0,0]=3 285 B14R1.510 CCOC(=O)C(C)(C)c1ccccc1 Amb6295785 [0,0,1,0,1,0|1,0,0]=3 286 B14R1.510 CCOC(=O)C(C)(C)c1ccccn1 Amb29762723 [0,0,1,0,1,0|2,0,0]=4 287 B14R1.510 CCOC(=O)C(C)(C)c1cccnc1 Amb19061718 [0,0,1,0,1,0|2,0,0]=4 288 B14R1.510 CCOC(=O)C(C)(F)c1ccccc1 Amb22546816 [0,0,1,0,1,0|1,0,0]=3 289 B14R1.510 CCOC(=O)C(C)(F)c1ccccn1 Amb32641602 [0,0,1,0,1,0|2,0,0]=4 290 B14R1.510 CCOC(=O)C(C)(N)c1ccccc1 Amb3942168 [0,0,1,0,1,0|1,0,0]=3 291 B14R1.510 CCOC(=O)C(C)(N)c1cccnc1 Amb32664199 [0,0,1,0,1,0|2,0,0]=4 292 B14R1.510 CCOC(=O)C(C)(N)c1cccnc1 Amb3942226 [0,0,1,0,1,0|2,0,0]=4 293 B14R1.510 CCOC(=O)C(C)(O)c1ccccc1 Amb2699786 [0,0,1,0,1,0|0,0,0]=2 294 B14R1.510 CCOC(=O)C(C)(O)c1ccccn1 Amb19080604 [0,0,1,0,1,0|1,0,0]=3 295 B14R1.510 CCOC(=O)C(Cl)(Cl)c1ccccc1 Amb22732077 [0,0,1,0,1,0|2,0,0]=4 296 B14R1.510 CCOC(=O)C(F)(F)c1ccccc1 Amb8496551 [0,0,1,0,1,0|2,0,0]=4 297 B14R1.510 CCOC(=O)[C@@](C)(N)c1ccccc1 Amb33744454 [0,0,1,0,1,0|1,0,0]=3 298 B14R1.510 CCOC(=O)[C@](C)(N)c1ccccc1 Amb33745023 [0,0,1,0,1,0|1,0,0]=3 299 B14R2.9811 CCOC(=O)[C@@H]1C[C@H]1c2cccs2 Amb33483319 [1,0,0,0,1,0|2,0,0]=4 300 B16R1.929 CCNC(=O)CCNC(C)c1ccccc1 Amb20171952 [0,0,1,0,0,1|2,0,0]=4 301 B16R1.929 CCOC(=O)CCNC(C)c1ccccc1 Amb9024164 [0,0,1,0,0,1|1,0,0]=3 302 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 Amb8867178 [0,0,1,0,0,1|2,0,0]=4 303 B16R1.945 CCOC(=O)C(C)N(C)Cc1ccccc1 Amb25055069 [0,0,1,0,0,1|2,0,0]=4 304 B16R1.945 CCOC(=O)C(N)C(O)Cc1ccccc1 Amb33803678 [0,0,1,0,0,1|2,0,0]=4 305 B16R1.2180 CCOC(=O)C[N+](C)(C)Cc1ccccc1 Amb9802077 [0,0,1,0,0,1|2,0,0]=4 306 B16R2.725 CCOC(=O)C1CC1Cc2ccccc2 Amb4017495 [1,0,0,0,0,1|1,0,0]=3 307 B16R2.725 CCOC(=O)C1CN1Cc2ccccc2 Amb20242263 [1,0,0,0,0,1|2,0,0]=4 308 B16R2.725 CCOC(=O)[C@@H]1C[C@@H]1Cc2ccccc2 Amb32653134 [1,0,0,0,0,1|1,0,0]=3 309 B16R2.725 CCOC(=O)[C@@H]1C[C@H]1Cc2ccccc2 Amb32652624 [1,0,0,0,0,1|1,0,0]=3 310 B16R2.725 CCOC(=O)[C@H]1C[C@H]1Cc2ccccc2 Amb35746788 [1,0,0,0,0,1|1,0,0]=3 311 B16R2.33445 COC(=O)C1OC1(C)Cc2ccccc2 Amb32698863 [1,0,0,0,0,1|0,0,0]=2 312 B16R2.33507 COC(=O)C1CC(O)(c2ccccc2)C1 Amb22284663 [1,0,0,0,0,1|2,0,0]=4 313 B16R2.33507 COC(=O)[C@H]1C[C@](O)(c2ccccc2)C1 Amb33212633 [1,0,0,0,0,1|2,0,0]=4