0 B20R2.2881207 O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl Amb13882806 [0,0,0,0,0,0|0,0,0]=0 1 B20R2.2881207 O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl Amb2696554 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.2881207 O=C([O-])Cc1ccccc1Nc2c(Cl)cccc2Cl Amb596511 [0,0,0,0,0,0|0,0,1]=1 3 B20R2.2881207 O=C([O-])Cc1ccccc1Nc2c(Cl)cccc2Cl Amb6296768 [0,0,0,0,0,0|0,0,1]=1 4 B21R2.968752 COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl Amb17612674 [0,1,0,0,0,0|0,0,0]=1 5 B21R2.968752 O=C(Cc1ccccc1Nc2c(Cl)cccc2Cl)O[Na] Amb2709181 [0,1,0,0,0,0|0,0,0]=1 6 B21R2.3286539 Cc1cccc(C)c1Nc2ccc(F)cc2CC(=O)O Amb18594707 [0,1,0,0,0,0|2,0,0]=3 7 B21R2.3554388 Cc1cccc(C)c1Nc2cccc(F)c2CC(=O)O Amb18594698 [0,1,0,0,0,0|2,0,0]=3 8 B21R2.4584166 CC(=O)Oc1ccccc1C(=O)c2c(Cl)cccc2Cl Amb6300775 [0,1,0,0,0,0|3,0,0]=4 9 B19R2.61556 Cc1cccc(C)c1Nc2ccccc2C(=O)O Amb2700701 [0,0,0,0,1,0|2,0,0]=3 10 B19R2.61556 Cc1cccc(C)c1Nc2cnccc2C(=O)O Amb31186414 [0,0,0,0,1,0|3,0,0]=4 11 B19R2.61556 Cc1cccc(C)c1Nc2ncccc2C(=O)O Amb6630932 [0,0,0,0,1,0|3,0,0]=4 12 B19R2.61556 O=C(O)c1ccccc1Nc2c(Cl)cccc2Cl Amb17597507 [0,0,0,0,1,0|0,0,0]=1 13 B19R2.61556 O=C(O)c1cccnc1Nc2c(F)cccc2Cl Amb35789597 [0,0,0,0,1,0|1,1,0]=3 14 B19R2.101179 O=C(O)Cc1cscc1Nc2c(Cl)cccc2Cl Amb17613638 [0,0,0,0,1,0|1,0,0]=2 15 B18R2.7181 CC(=O)Cc1ccccc1Oc2ccccc2 Amb32954733 [2,0,0,0,0,0|2,0,0]=4 16 B18R2.7181 O=C(O)Cc1ccccc1Cc2ccccc2 Amb5718384 [2,0,0,0,0,0|1,0,0]=3 17 B18R2.7181 O=C(O)Cc1ccccc1Nc2ccccc2 Amb5519015 [2,0,0,0,0,0|0,0,0]=2 18 B18R2.7181 O=C(O)Cc1ccccc1Oc2ccccc2 Amb2690248 [2,0,0,0,0,0|1,0,0]=3 19 B18R2.7181 O=C(O)Cc1ccccc1Oc2ccncc2 Amb32675057 [2,0,0,0,0,0|2,0,0]=4 20 B18R2.7181 O=C(O)Cc1ccccc1Sc2ccccc2 Amb2610539 [2,0,0,0,0,0|1,0,0]=3 21 B18R2.113512 O=Cc1ccccc1Nc2c(Cl)cccc2Cl Amb17612632 [2,0,0,0,0,0|0,0,0]=2 22 B18R2.113512 OCc1ccccc1Nc2c(Cl)cccc2Cl Amb17597315 [2,0,0,0,0,0|0,0,0]=2 23 B20R2.76051 Cc1ccccc1Nc2ccc(F)cc2CC(=O)O Amb18587653 [1,1,0,0,0,0|1,0,0]=3 24 B20R2.76051 O=C(O)Cc1cc(F)ccc1Nc2ccccc2Cl Amb18596752 [1,1,0,0,0,0|0,0,0]=2 25 B20R2.76051 O=C(O)Cc1cc(F)ccc1Nc2ccccc2F Amb18590676 [1,1,0,0,0,0|0,1,0]=3 26 B20R2.148568 Cc1ccccc1Nc2cccc(F)c2CC(=O)O Amb18587621 [1,1,0,0,0,0|1,0,0]=3 27 B20R2.148568 O=C(O)Cc1c(F)cccc1Nc2ccccc2Cl Amb18596738 [1,1,0,0,0,0|0,0,0]=2 28 B20R2.148568 O=C(O)Cc1c(F)cccc1Nc2ccccc2F Amb18590670 [1,1,0,0,0,0|0,1,0]=3 29 B20R2.23088 Cc1cc(C)c(Nc2ncccc2C(=O)O)c(Cl)c1 Amb17279748 [0,1,0,0,1,0|2,0,0]=4 30 B20R2.76060 Cc1ccc(C(=O)O)c(Nc2c(C)cccc2C)c1 Amb31186666 [0,1,0,0,1,0|2,0,0]=4 31 B20R2.76060 Cc1cccc(C)c1Nc2cc(F)ccc2C(=O)O Amb31121339 [0,1,0,0,1,0|2,0,0]=4 32 B20R2.156109 Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl Amb9813738 [0,1,0,0,1,0|0,0,1]=3 33 B20R2.634996 Cc1cccc(C)c1Nc2c(F)cccc2C(=O)O Amb18267731 [0,1,0,0,1,0|2,0,0]=4 34 B20R2.659987 Cc1cccc(C)c1Nc2ccc(F)cc2C(=O)O Amb18587648 [0,1,0,0,1,0|2,0,0]=4 35 B20R2.2881208 O=S(=O)(O)c1cccnc1Nc2c(Cl)cccc2Cl Amb2644210 [0,1,0,0,1,0|2,0,0]=4 36 B20R2.2881267 Cc1cccc(C)c1Nc2cccc(F)c2C(=O)O Amb18587615 [0,1,0,0,1,0|2,0,0]=4 37 B22R2.4540275 CC(C)(C(=O)O)c1ccccc1Nc2c(F)cccc2F Amb18268585 [0,2,0,0,0,0|0,2,0]=4 38 B20R3.298877 Cc1cccc(C)c1N2C(=O)Cc3ccccc32 Amb17158403 [1,0,0,1,0,0|2,0,0]=4 39 B20R3.298877 O=C1Cc2ccccc2N1c3c(Cl)cccc3Cl Amb1038304 [1,0,0,1,0,0|0,0,0]=2 40 B18R2.4011 Cc1ccccc1-c2ccccc2CC(=O)O Amb4226451 [1,0,0,0,1,0|1,0,0]=3 41 B18R2.4011 Cc1ccccc1-c2cccnc2CC(=O)O Amb31136769 [1,0,0,0,1,0|2,0,0]=4 42 B18R2.4011 Cc1ccccc1-c2cnccc2CC(=O)O Amb31136775 [1,0,0,0,1,0|2,0,0]=4 43 B18R2.4011 O=C(O)Cc1ccccc1-c2ccccc2Cl Amb2685786 [1,0,0,0,1,0|0,0,0]=2 44 B18R2.4011 O=C(O)Cc1ccncc1-c2ccccc2Br Amb31123439 [1,0,0,0,1,0|1,1,0]=4 45 B18R2.4011 O=C(O)Cc1ccncc1-c2ccccc2Cl Amb31140549 [1,0,0,0,1,0|1,0,0]=3 46 B18R2.4011 O=C(O)Cc1ccncc1-c2ccccc2F Amb31118941 [1,0,0,0,1,0|1,1,0]=4 47 B18R2.4011 O=C(O)Cc1ncccc1-c2ccccc2Br Amb31123433 [1,0,0,0,1,0|1,1,0]=4 48 B18R2.4011 O=C(O)Cc1ncccc1-c2ccccc2Cl Amb31140532 [1,0,0,0,1,0|1,0,0]=3 49 B18R2.4011 O=C(O)Cc1ncccc1-c2ccccc2F Amb31118935 [1,0,0,0,1,0|1,1,0]=4 50 B18R2.4750 Cc1ccccc1Nc2ccccc2C(=O)O Amb2700755 [1,0,0,0,1,0|1,0,0]=3 51 B18R2.4750 Cc1ccccc1Nc2cnccc2C(=O)O Amb31137087 [1,0,0,0,1,0|2,0,0]=4 52 B18R2.4750 Cc1ccccc1Nc2ncccc2C(=O)O Amb5380212 [1,0,0,0,1,0|2,0,0]=4 53 B18R2.4750 Cc1ccccc1Oc2ccccc2C(=O)O Amb3978841 [1,0,0,0,1,0|2,0,0]=4 54 B18R2.4750 Cc1ccccc1Sc2ccccc2C(=O)O Amb2754556 [1,0,0,0,1,0|2,0,0]=4 55 B18R2.4750 NC(=O)c1cccnc1Nc2ccccc2Cl Amb2644105 [1,0,0,0,1,0|2,0,0]=4 56 B18R2.4750 Nc1ccccc1Nc2ccccc2C(=O)O Amb23453306 [1,0,0,0,1,0|1,0,0]=3 57 B18R2.4750 Nc1ccccc1Sc2ccccc2C(=O)O Amb24093579 [1,0,0,0,1,0|2,0,0]=4 58 B18R2.4750 Nc1ccccc1Sc2ccccc2C(=O)O Amb5722253 [1,0,0,0,1,0|2,0,0]=4 59 B18R2.4750 O=C(O)c1ccccc1Nc2ccccc2F Amb2757063 [1,0,0,0,1,0|0,1,0]=3 60 B18R2.4750 O=C(O)c1ccccc1Oc2ccccc2Br Amb6718107 [1,0,0,0,1,0|1,1,0]=4 61 B18R2.4750 O=C(O)c1ccccc1Oc2ccccc2Cl Amb2819521 [1,0,0,0,1,0|1,0,0]=3 62 B18R2.4750 O=C(O)c1ccccc1Oc2ccccc2F Amb6718231 [1,0,0,0,1,0|1,1,0]=4 63 B18R2.4750 O=C(O)c1ccccc1Sc2ccccc2Cl Amb32429108 [1,0,0,0,1,0|1,0,0]=3 64 B18R2.4750 O=C(O)c1ccccc1Sc2ccccc2F Amb2617127 [1,0,0,0,1,0|1,1,0]=4 65 B18R2.4750 O=C(O)c1cccnc1Nc2ccccc2Cl Amb6644444 [1,0,0,0,1,0|1,0,0]=3 66 B18R2.4750 O=C(O)c1cccnc1Nc2ccccc2F Amb19728 [1,0,0,0,1,0|1,1,0]=4 67 B18R2.4750 O=C(O)c1cccnc1Nc2ccccc2I Amb7785886 [1,0,0,0,1,0|1,1,0]=4 68 B18R2.4750 O=C(O)c1cccnc1Oc2ccccc2Cl Amb1136554 [1,0,0,0,1,0|2,0,0]=4 69 B18R2.4750 O=C(O)c1cccnc1Sc2ccccc2Cl Amb2318048 [1,0,0,0,1,0|2,0,0]=4 70 B18R2.4750 O=C(O)c1ccncc1Nc2ccccc2Br Amb31123543 [1,0,0,0,1,0|1,1,0]=4 71 B18R2.4750 O=C(O)c1ccncc1Nc2ccccc2Cl Amb31140801 [1,0,0,0,1,0|1,0,0]=3 72 B18R2.4750 O=C(O)c1ccncc1Nc2ccccc2F Amb31119302 [1,0,0,0,1,0|1,1,0]=4 73 B18R2.4750 O=C(O)c1cncnc1Nc2ccccc2Cl Amb17072585 [1,0,0,0,1,0|2,0,0]=4 74 B18R2.4750 O=[N+]([O-])c1ccccc1Nc2ccccc2Cl Amb21812041 [1,0,0,0,1,0|1,0,1]=4 75 B18R2.4750 [NH3+]c1ccccc1Nc2ccccc2C(=O)O Amb23453327 [1,0,0,0,1,0|1,0,0]=3 76 B18R2.6490 O=C(O)c1ccccc1-c2c(O)cccc2Cl Amb33068502 [0,0,0,0,2,0|1,0,0]=3 77 B20R2.8697 O=C(O)Cc1ccccc1OCc2ccncc2Cl Amb32671340 [1,0,0,0,0,1|2,0,0]=4 78 B22R2.6124824 O=C(O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl Amb5777795 [0,0,0,0,0,2|1,0,1]=4