0 B21R3.41307345 O=C1C=C(c2ccccc2)Oc3cc(O)cc(O)c31 Amb18511580 [0,0,0,0,0,0|0,0,0]=0 1 B21R3.41307345 O=C1CC(c2ccccc2)Oc3cc(O)cc(O)c31 Amb4005381 [0,0,0,0,0,0|0,0,2]=2 2 B20R3.247868 O=C1C=C(c2ccccc2)Oc3cccc(O)c31 Amb18511587 [1,0,0,0,0,0|0,0,0]=1 3 B20R3.277426 O=C1C=C(c2ccccc2)Oc3cc(Cl)ccc31 Amb22645360 [1,0,0,0,0,0|1,0,0]=2 4 B20R3.277426 O=C1C=C(c2ccccc2)Oc3cc(O)ccc31 Amb18511602 [1,0,0,0,0,0|0,0,0]=1 5 B20R3.277426 O=C1CC(c2ccccc2)Oc3cc(O)ccc31 Amb2719634 [1,0,0,0,0,0|0,0,2]=3 6 B20R3.277426 O=C1NC(c2ccccc2)=Nc3cc(Cl)ccc31 Amb22450380 [1,0,0,0,0,0|3,0,0]=4 7 B20R3.277426 O=C1OC(c2ccccc2)=Nc3cc(O)ccc31 Amb18663381 [1,0,0,0,0,0|2,0,0]=3 8 B20R3.277426 Oc1cc(-c2ccccc2)nc3cc(Br)ccc13 Amb9134476 [1,0,0,0,0,0|2,0,1]=4 9 B22R3.2846088 O=C1C=C(c2ccccc2)Oc3cc(O)c(O)c(O)c31 Amb18511633 [0,1,0,0,0,0|0,0,0]=1 10 B22R3.18332665 COc1cc(O)cc2c1C(=O)C=C(c3ccccc3)O2 Amb19935636 [0,1,0,0,0,0|0,0,0]=1 11 B22R3.18332665 COc1cc(O)cc2c1C(=O)CC(c3ccccc3)O2 Amb2613850 [0,1,0,0,0,0|0,0,2]=3 12 B22R3.43403522 O=C1C=C(c2ccccc2O)Oc3cc(O)cc(O)c31 Amb21928547 [0,1,0,0,0,0|0,0,0]=1 13 B22R3.53618968 O=C1C(O)=C(c2ccccc2)Cc3cc(O)cc(O)c31 Amb17597321 [0,1,0,0,0,0|1,0,0]=2 14 B22R3.53618968 O=C1C(O)=C(c2ccccc2)Oc3cc(O)cc(O)c31 Amb18511617 [0,1,0,0,0,0|0,0,0]=1 15 B22R3.78129056 Nc1c(O)cc(O)c2c1OC(c3ccccc3)=CC2=O Amb24079280 [0,1,0,0,0,0|0,0,0]=1 16 B22R3.98287844 Cc1cc(C)c2c(c1)OC(c3ccc(N)cc3)=CC2=O Amb18034355 [0,1,0,0,0,0|2,0,0]=3 17 B22R3.98287844 O=C1C=C(c2ccc(Cl)cc2)Oc3cc(O)cc(O)c31 Amb20241798 [0,1,0,0,0,0|0,0,0]=1 18 B22R3.98287844 O=C1C=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb18511397 [0,1,0,0,0,0|0,0,0]=1 19 B22R3.98287844 O=C1CC(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb2780753 [0,1,0,0,0,0|0,0,2]=3 20 B22R3.98287844 O=C1C[C@@H](c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb538290 [0,1,0,0,0,0|0,0,2]=3 21 B22R3.98287844 Oc1ccc(C2=CC(O)c3c(O)cc(O)cc3O2)cc1 Amb22584583 [0,1,0,0,0,0|0,0,2]=3 22 B22R3.121441578 COc1cc(O)c2c(c1)OC(c3ccccc3)=CC2=O Amb18011138 [0,1,0,0,0,0|0,0,0]=1 23 B20R2.23087 CC1=CC(O)=C(C(=O)\C=C\c2ccccc2)C(=O)O1 Amb18548626 [0,0,1,0,0,0|2,0,1]=4 24 B20R2.23087 O=C(CCc1ccccc1)c2c(O)cc(O)cc2O Amb6296745 [0,0,1,0,0,0|0,0,2]=3 25 B19R2.4531 Cc1ccc(C(=O)\C=C\c2ccccc2)c(C)c1 Amb2777929 [1,0,1,0,0,0|2,0,0]=4 26 B19R2.4531 O=C(CCc1ccccc1)c2ccc(O)cc2O Amb6298417 [1,0,1,0,0,0|0,0,2]=4 27 B19R2.4531 O=C(COc1ccccc1)c2ccc(O)cc2O Amb546042 [1,0,1,0,0,0|1,0,1]=4 28 B19R2.4531 O=C(NCc1ccccc1)c2ccc(O)cc2O Amb25096883 [1,0,1,0,0,0|1,0,1]=4 29 B19R2.4531 O=C(OCc1ccccc1)c2ccc(O)cc2O Amb7819546 [1,0,1,0,0,0|1,0,1]=4 30 B19R2.4531 O=C(\C=C\c1ccccc1)c2ccc(Cl)cc2Cl Amb4826794 [1,0,1,0,0,0|2,0,0]=4 31 B19R2.4531 O=C(\C=C\c1cccnc1)c2ccc(F)cc2O Amb10766400 [1,0,1,0,0,0|2,0,0]=4 32 B19R2.62092 CC(=O)c1c(O)cccc1OCc2ccccc2 Amb2778474 [1,0,1,0,0,0|0,0,2]=4 33 B19R2.62092 O=C(O)c1c(O)cccc1OCc2ccccc2 Amb18664777 [1,0,1,0,0,0|1,0,1]=4 34 B19R2.103373 CC(=O)c1ccc(O)cc1OCc2ccccc2 Amb25385790 [1,0,1,0,0,0|0,0,2]=4 35 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccc2 Amb569740 [1,0,1,0,0,0|0,0,2]=4 36 B19R2.5647 O=C(\C=C(/O)c1ccccc1)c2ccccc2O Amb18663639 [1,0,1,0,0,0|0,0,0]=2 37 B19R3.4010 Brc1ccc2ccc(-c3ccccc3)nc2c1 Amb21858682 [2,0,0,0,0,0|2,0,0]=4 38 B19R3.4010 Cc1ccc2ccc(-c3ccccc3)nc2c1 Amb21858711 [2,0,0,0,0,0|2,0,0]=4 39 B19R3.4010 Clc1ccc2ccc(-c3ccccc3)nc2c1 Amb22002031 [2,0,0,0,0,0|2,0,0]=4 40 B19R3.4010 Nc1ccc2ccc(-c3ccccc3)nc2c1 Amb17596001 [2,0,0,0,0,0|2,0,0]=4 41 B19R3.4010 Oc1ccc2ccc(-c3ccccc3)nc2c1 Amb21858746 [2,0,0,0,0,0|1,0,0]=3 42 B19R3.8275 Cc1cccc2nc(-c3ccccc3)ccc12 Amb21858723 [2,0,0,0,0,0|2,0,0]=4 43 B19R3.8275 Oc1cccc2nc(-c3ccccc3)ccc12 Amb21858733 [2,0,0,0,0,0|1,0,0]=3 44 B19R3.9171 Brc1cc(-c2ccccc2)nc3ccccc13 Amb10240774 [2,0,0,0,0,0|2,0,0]=4 45 B19R3.9171 Cc1cc(-c2ccccc2)nc3ccccc13 Amb4013116 [2,0,0,0,0,0|2,0,0]=4 46 B19R3.9171 Nc1cc(-c2ccccc2)nc3ccccc13 Amb1104039 [2,0,0,0,0,0|2,0,0]=4 47 B19R3.9171 Nc1cc(-c2ccccc2)nc3ccccc13 Amb32667709 [2,0,0,0,0,0|2,0,0]=4 48 B19R3.9171 O=C1C=C(c2ccccc2)N=C3C=CC=CN13 Amb19551226 [2,0,0,0,0,0|2,0,0]=4 49 B19R3.9171 O=C1C=C(c2ccccc2)Nc3ccccc31 Amb20247405 [2,0,0,0,0,0|1,0,0]=3 50 B19R3.9171 O=C1C=C(c2ccccc2)Oc3ccccc31 Amb18511585 [2,0,0,0,0,0|0,0,0]=2 51 B19R3.9171 O=C1C=C(c2ccccc2)Sc3ccccc31 Amb19666767 [2,0,0,0,0,0|0,1,0]=3 52 B19R3.9171 O=C1C=C(c2cccnc2)Oc3ccccc31 Amb18009821 [2,0,0,0,0,0|1,0,0]=3 53 B19R3.9171 O=C1C=C(c2ccncc2)Oc3ccccc31 Amb20027795 [2,0,0,0,0,0|1,0,0]=3 54 B19R3.9171 O=C1CC(c2ccccc2)Oc3ccccc31 Amb1232854 [2,0,0,0,0,0|0,0,2]=4 55 B19R3.9171 O=C1N=C(c2ccccc2)Nc3ccccc31 Amb20621986 [2,0,0,0,0,0|2,0,0]=4 56 B19R3.9171 O=C1N=C(c2ccccc2)Oc3ccccc31 Amb22366746 [2,0,0,0,0,0|1,0,0]=3 57 B19R3.9171 O=C1NC(c2ccccc2)=Cc3ccccc31 Amb21948315 [2,0,0,0,0,0|2,0,0]=4 58 B19R3.9171 O=C1NC(c2ccccc2)=Nc3ccccc31 Amb17997264 [2,0,0,0,0,0|2,0,0]=4 59 B19R3.9171 O=C1NC(c2ccccc2)Oc3ccccc31 Amb2692287 [2,0,0,0,0,0|1,0,1]=4 60 B19R3.9171 O=C1OC(c2ccccc2)=Cc3ccccc31 Amb19752055 [2,0,0,0,0,0|2,0,0]=4 61 B19R3.9171 O=C1OC(c2ccccc2)=Nc3ccccc31 Amb19115379 [2,0,0,0,0,0|2,0,0]=4 62 B19R3.9171 Oc1cc(-c2ccccc2)cc3ccccc13 Amb2227691 [2,0,0,0,0,0|1,0,1]=4 63 B19R3.9171 Oc1cc(-c2ccccc2)nc3ccccc13 Amb2746876 [2,0,0,0,0,0|1,0,1]=4 64 B19R3.9171 S=c1cc(-c2ccccc2)oc3ccccc13 Amb2755040 [2,0,0,0,0,0|0,1,0]=3 65 B21R2.11679 COc1cc(O)cc(O)c1C(=O)\C=C\c2ccccc2 Amb6298444 [0,1,1,0,0,0|0,0,0]=2 66 B21R2.362231 O=C(CCc1ccc(O)cc1)c2c(O)cc(O)cc2O Amb546370 [0,1,1,0,0,0|0,0,2]=4 67 B21R3.727497 COc1cccc2c1C(=O)C=C(c3ccccc3)O2 Amb18511588 [1,1,0,0,0,0|0,0,0]=2 68 B21R3.23131681 Nc1cccc2c1C(=O)C=C(c3cccc(O)c3)O2 Amb24079260 [1,1,0,0,0,0|1,0,0]=3 69 B21R3.50471385 Nc1cccc2c1C(=O)C=C(c3ccc(O)cc3)O2 Amb24079264 [1,1,0,0,0,0|1,0,0]=3 70 B21R3.50471385 O=C1C=C(c2ccc(O)cc2)Oc3cccc(O)c31 Amb20665355 [1,1,0,0,0,0|0,0,0]=2 71 B21R3.649532 Cc1ccc2c(c1)OC(c3ccc(Cl)cc3)=CC2=O Amb19520565 [1,1,0,0,0,0|1,0,0]=3 72 B21R3.649532 Cc1ccc2c(c1)OC(c3ccc(F)cc3)=CC2=O Amb19520508 [1,1,0,0,0,0|1,0,0]=3 73 B21R3.649532 Nc1ccc(C2=CC(=O)c3ccc(Cl)cc3O2)cc1 Amb18537227 [1,1,0,0,0,0|1,0,0]=3 74 B21R3.649532 Nc1ccc(C2=CC(=O)c3ccc(N)cc3O2)cc1 Amb24079276 [1,1,0,0,0,0|1,0,0]=3 75 B21R3.649532 O=C1C=C(c2ccc(Cl)cc2)Oc3cc(O)ccc31 Amb19952368 [1,1,0,0,0,0|0,0,0]=2 76 B21R3.649532 O=C1CC(c2ccc(O)cc2)Oc3cc(O)ccc31 Amb4477658 [1,1,0,0,0,0|0,0,2]=4 77 B21R3.787770 COc1ccc2c(O)cc(-c3ccccc3)nc2c1 Amb8439160 [1,1,0,0,0,0|1,0,1]=4 78 B21R3.787770 COc1ccc2c(c1)NC(c3ccccc3)=CC2=O Amb18011833 [1,1,0,0,0,0|1,0,0]=3 79 B21R3.787770 COc1ccc2c(c1)OC(c3ccccc3)=CC2=O Amb18511670 [1,1,0,0,0,0|0,0,0]=2 80 B21R3.7155654 CC1=C(c2ccccc2)Oc3cc(O)ccc3C1=O Amb21928493 [1,1,0,0,0,0|0,0,0]=2 81 B21R3.7155654 Nc1ccc2c(c1)OC(c3ccccc3)=C(O)C2=O Amb24079277 [1,1,0,0,0,0|1,0,0]=3 82 B21R3.7155654 O=C1C(O)=C(c2ccccc2)Oc3cc(O)ccc31 Amb18511660 [1,1,0,0,0,0|0,0,0]=2 83 B21R3.7155654 O=C1C(O)=C(c2ccccc2)Oc3cc(O)ccc31 Amb19954843 [1,1,0,0,0,0|0,0,0]=2 84 B21R3.7157788 O=C1C=C(c2ccccc2O)Oc3cc(O)ccc31 Amb20665301 [1,1,0,0,0,0|0,0,0]=2 85 B21R3.7157819 O=C1C=C(c2ccccc2)Nc3c1ccc(Cl)c3F Amb21858615 [1,1,0,0,0,0|2,0,0]=4 86 B21R3.7157819 O=C1C=C(c2ccccc2)Oc3c1ccc(O)c3O Amb18511582 [1,1,0,0,0,0|0,0,0]=2 87 B23R3.2128607 COc1c(O)cc2c(c1O)C(=O)C=C(c3ccccc3)O2 Amb19928490 [0,2,0,0,0,0|0,0,0]=2 88 B23R3.2128607 COc1c(O)cc2c(c1O)C(=O)CC(c3ccccc3)O2 Amb8399267 [0,2,0,0,0,0|0,0,2]=4 89 B23R3.71772102 O=C1C=C(c2ccc(O)cc2)Oc3cc(O)c(O)c(O)c31 Amb18511696 [0,2,0,0,0,0|0,0,0]=2 90 B23R3.73203049 Cc1cc2c(c(C)c1Cl)C(=O)C=C(c3cccc(N)c3)O2 Amb18034322 [0,2,0,0,0,0|2,0,0]=4 91 B23R3.28411805 COc1cc(OC)c2c(c1)OC(c3ccccc3)=CC2=O Amb18480889 [0,2,0,0,0,0|0,0,0]=2 92 B23R3.28411805 COc1cc(OC)c2c(c1)OC(c3ccccc3)CC2=O Amb6350594 [0,2,0,0,0,0|0,0,2]=4 93 B23R3.109257528 CCOc1cc(O)cc2c1C(=O)C=C(c3ccccc3)O2 Amb19935809 [0,2,0,0,0,0|0,0,0]=2 94 B23R3.71361071 O=C1C[C@@H](c2cc(O)cc(O)c2)Oc3cc(O)cc(O)c31 Amb22748379 [0,2,0,0,0,0|0,0,2]=4 95 B23R3.76672529 Cc1cc(C)c2c(c1)OC(c3cc(N)ccc3Cl)=CC2=O Amb18034314 [0,2,0,0,0,0|2,0,0]=4 96 B23R3.184688319 Cc1cc(C)c2c(c1)OC(c3ccc(C)c(N)c3)=CC2=O Amb18034283 [0,2,0,0,0,0|2,0,0]=4 97 B23R3.184688319 Cc1cc(C)c2c(c1)OC(c3ccc(Cl)c(N)c3)=CC2=O Amb18034291 [0,2,0,0,0,0|2,0,0]=4 98 B23R3.184688319 O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb18511398 [0,2,0,0,0,0|0,0,0]=2 99 B23R3.184688319 O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb21929356 [0,2,0,0,0,0|0,0,0]=2 100 B23R3.184688319 O=C1CC(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb6354717 [0,2,0,0,0,0|0,0,2]=4 101 B23R3.87754748 O=C1C(O)=C(c2ccccc2O)Oc3cc(O)cc(O)c31 Amb18511625 [0,2,0,0,0,0|0,0,0]=2 102 B23R3.141435328 O=C1CC(c2c(O)cccc2O)Oc3cc(O)cc(O)c31 Amb22168557 [0,2,0,0,0,0|0,0,2]=4 103 B23R3.71745916 O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb18511400 [0,2,0,0,0,0|0,0,0]=2 104 B23R3.71745916 O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb32652524 [0,2,0,0,0,0|0,0,0]=2 105 B23R3.71745916 O=C1c2c(O)cc(O)cc2O[C@H](c3ccc(O)cc3)[C@H]1O Amb16192992 [0,2,0,0,0,0|0,0,2]=4 106 B23R3.6468498 COc1c(O)cc(O)c2c1OC(c3ccccc3)=CC2=O Amb18511675 [0,2,0,0,0,0|0,0,0]=2 107 B23R3.9068341 COc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)cc1 Amb18511409 [0,2,0,0,0,0|0,0,0]=2 108 B23R3.199765921 COc1cc(O)c2c(c1)OC(c3ccc(O)cc3)CC2=O Amb6356986 [0,2,0,0,0,0|0,0,2]=4 109 B21R3.4952563 O=C1C=C(c2ccccc2)c3c(O)cc(O)cc3O1 Amb17987788 [0,0,1,1,0,0|2,0,0]=4 110 B21R3.12379150 Cc1cc(O)c2c(c1)O\C(=C/c3ccccc3)C2=O Amb5789682 [0,0,1,1,0,0|1,0,0]=3 111 B21R3.12379150 Cc1cc(O)cc2c1C(=O)\C(=C\c3ccccc3)O2 Amb570107 [0,0,1,1,0,0|1,0,0]=3 112 B21R3.12379150 Cc1cc(O)cc2c1C(=O)\C(=C\c3cccnc3)O2 Amb799865 [0,0,1,1,0,0|2,0,0]=4 113 B21R3.12379150 Cc1cc(O)cc2c1C(=O)\C(=C\c3ccncc3)O2 Amb799046 [0,0,1,1,0,0|2,0,0]=4 114 B21R3.437724 Cc1c(C(=O)c2ccccc2)oc3cc(O)ccc13 Amb2613403 [0,0,1,1,0,0|1,0,1]=4 115 B21R3.7123795 O=C1c2c(O)cc(O)cc2Oc3c(O)ccc(O)c31 Amb20622148 [0,0,1,1,0,0|2,0,0]=4 116 B21R3.10410423 COc1cccc2c1Oc3cc(O)cc(O)c3C2=O Amb19119975 [0,0,1,1,0,0|1,0,1]=4 117 B19R2.60510 O=C(Cc1ccccc1)c2c(O)cc(O)cc2O Amb545869 [0,0,1,0,1,0|0,0,1]=3 118 B21R3.29513194 Cc1cc(O)cc2c1C(=O)C(c3ccccc3)=CO2 Amb20621416 [0,0,0,0,1,1|1,0,0]=3 119 B21R3.29513194 O=C1C(c2ccccc2)=COc3cc(O)cc(O)c31 Amb18048930 [0,0,0,0,1,1|0,0,0]=2