0 B21R2.93456 CC(C)Oc1ccc(-c2cc(C(=O)O)ccn2)cc1F Amb18077602 [1,0,0,0,0,0|1,1,0]=3 1 B21R2.93456 CC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1F Amb18595465 [1,0,0,0,0,0|0,1,0]=2 2 B21R2.93456 Cc1cc(-c2cc(C(=O)O)ccn2)ccc1OC(C)C Amb18075482 [1,0,0,0,0,0|2,0,0]=3 3 B21R2.93456 Cc1cc(-c2cc(C(=O)O)ncn2)ccc1OC(C)C Amb18075875 [1,0,0,0,0,0|1,0,0]=2 4 B21R2.95450 CC(C)Cc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1 Amb17197462 [1,0,0,0,0,0|2,0,0]=3 5 B21R2.95450 CC(C)Cc1ccc(C2=NC(=O)NC(C(=O)O)=C2)cc1 Amb18034529 [1,0,0,0,0,0|1,1,1]=4 6 B21R2.95450 CC(C)Oc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1 Amb18594682 [1,0,0,0,0,0|1,0,0]=2 7 B21R2.95450 CC(C)Oc1ccc(-c2cc(C(=O)O)nc(O)n2)cc1 Amb18076823 [1,0,0,0,0,0|0,1,0]=2 8 B21R2.95450 CC(C)Oc1ccc(-c2cc(N)cc(C(=O)O)c2)cc1 Amb18594138 [1,0,0,0,0,0|3,0,0]=4 9 B21R2.95450 CC(C)Oc1ccc(C2=CC(C(=O)O)=CC(=O)N2)cc1 Amb18076337 [1,0,0,0,0,0|1,1,1]=4 10 B21R2.95450 Cc1nc(C(=O)O)cc(-c2ccc(CC(C)C)cc2)n1 Amb17197423 [1,0,0,0,0,0|2,0,0]=3 11 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1C Amb18075872 [1,0,0,0,0,0|2,0,0]=3 12 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1F Amb18078055 [1,0,0,0,0,0|1,1,0]=3 13 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1C Amb18594681 [1,0,0,0,0,0|2,0,0]=3 14 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1F Amb18078699 [1,0,0,0,0,0|1,1,0]=3 15 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(O)n2)cc1C Amb18076822 [1,0,0,0,0,0|1,1,0]=3 16 B21R2.12048309 CCOc1ccc(-c2cc(C(=O)O)nc(O)n2)cc1F Amb18079087 [1,0,0,0,0,0|0,2,0]=3 17 B21R2.93449 CC(C)Oc1ccc(-c2cc(C(=O)O)n(C)n2)cc1F Amb18079120 [0,0,0,0,1,0|2,1,0]=4 18 B21R2.93449 Cc1cc(-c2cc(C(=O)O)n(C)n2)ccc1OC(C)C Amb18076949 [0,0,0,0,1,0|3,0,0]=4 19 B21R2.93449 Cc1cc(-c2nc(C)c(C(=O)O)o2)ccc1OC(C)C Amb18234818 [0,0,0,0,1,0|3,0,0]=4 20 B21R2.93449 Cc1nc(-c2ccc(OC(C)C)c(F)c2)oc1C(=O)O Amb18888905 [0,0,0,0,1,0|2,1,0]=4 21 B21R2.93455 CC(C)Oc1ccc(-c2cc(C(=O)O)nn2C)cc1F Amb18079121 [0,0,0,0,1,0|2,1,0]=4 22 B21R2.93455 Cc1cc(-c2cc(C(=O)O)nn2C)ccc1OC(C)C Amb18076950 [0,0,0,0,1,0|3,0,0]=4 23 B21R2.102750 Cc1nc(-c2ccc(OC(C)C)c(C)c2)c(C(=O)O)o1 Amb18077658 [0,0,0,0,1,0|3,0,0]=4 24 B21R2.102750 Cc1nc(-c2ccc(OC(C)C)c(F)c2)c(C(=O)O)o1 Amb18596596 [0,0,0,0,1,0|2,1,0]=4 25 B20R2.66774 CC(C)Oc1ccc(-c2cc(O)nc(N)n2)cc1Cl Amb18596763 [2,0,0,0,0,0|1,1,0]=4 26 B20R2.66774 CC(C)Oc1ccc(-c2cc(O)nc(N)n2)cc1F Amb18590731 [2,0,0,0,0,0|1,1,0]=4 27 B20R2.66774 CC(C)Oc1ccc(-c2cc(O)nc(O)n2)cc1F Amb18591480 [2,0,0,0,0,0|0,2,0]=4 28 B20R2.66774 Cc1cc(-c2cc(O)nc(N)n2)ccc1OC(C)C Amb18587786 [2,0,0,0,0,0|2,0,0]=4 29 B20R2.66774 Cc1cc(-c2cc(O)nc(O)n2)ccc1OC(C)C Amb18588472 [2,0,0,0,0,0|1,1,0]=4 30 B20R2.17727 CC(C)Cc1ccc(-c2cc(C(=O)O)ccn2)cc1 Amb18585379 [2,0,0,0,0,0|2,0,0]=4 31 B20R2.17727 CC(C)Cc1ccc(-c2cc(C(=O)O)ncn2)cc1 Amb18585974 [2,0,0,0,0,0|1,0,0]=3 32 B20R2.17727 CC(C)Oc1ccc(-c2cc(C(=O)O)ccn2)cc1 Amb17265682 [2,0,0,0,0,0|1,0,0]=3 33 B20R2.17727 CC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1 Amb18586896 [2,0,0,0,0,0|0,0,0]=2 34 B20R2.17727 CC(C)Oc1ccc(-c2cccc(C(=O)O)c2)cc1 Amb17162371 [2,0,0,0,0,0|2,0,0]=4 35 B20R2.17727 CC(C)Oc1ccc(-c2ccnc(C(=O)O)c2)cc1 Amb18586243 [2,0,0,0,0,0|1,0,0]=3 36 B20R2.17727 CC(C)Sc1ccc(-c2cc(C(=O)O)ncn2)cc1 Amb18887001 [2,0,0,0,0,0|0,1,0]=3 37 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ccn2)cc1C Amb18586234 [2,0,0,0,0,0|2,0,0]=4 38 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ccn2)cc1Cl Amb18596099 [2,0,0,0,0,0|1,1,0]=4 39 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ccn2)cc1F Amb18589141 [2,0,0,0,0,0|1,1,0]=4 40 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ncn2)cc1C Amb18586895 [2,0,0,0,0,0|1,0,0]=3 41 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl Amb18596490 [2,0,0,0,0,0|0,1,0]=3 42 B20R2.70161 CCOc1ccc(-c2cc(C(=O)O)ncn2)cc1F Amb18589802 [2,0,0,0,0,0|0,1,0]=3 43 B20R2.2219037 CCCc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1 Amb17196822 [2,0,0,0,0,0|2,0,0]=4 44 B20R2.2219037 CCCc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1 Amb17196855 [2,0,0,0,0,0|2,0,0]=4 45 B20R2.2219037 CCOc1ccc(-c2cc(C(=O)O)cc(Cl)n2)cc1 Amb18596096 [2,0,0,0,0,0|2,0,0]=4 46 B20R2.2219037 CCOc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1 Amb5757435 [2,0,0,0,0,0|1,0,0]=3 47 B20R2.2219037 CCOc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1 Amb17196943 [2,0,0,0,0,0|1,0,0]=3 48 B20R2.2219037 CCOc1ccc(C2=NC(=O)NC(C(=O)O)=C2)cc1 Amb18537369 [2,0,0,0,0,0|0,1,1]=4 49 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1C Amb17196881 [2,0,0,0,0,0|2,0,0]=4 50 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1Cl Amb17197835 [2,0,0,0,0,0|1,1,0]=4 51 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(C)n2)cc1F Amb17197096 [2,0,0,0,0,0|1,1,0]=4 52 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(Cl)n2)cc1C Amb17170207 [2,0,0,0,0,0|2,0,0]=4 53 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1C Amb17061177 [2,0,0,0,0,0|2,0,0]=4 54 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1Cl Amb17197856 [2,0,0,0,0,0|1,1,0]=4 55 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(N)n2)cc1F Amb17197180 [2,0,0,0,0,0|1,1,0]=4 56 B20R2.5059234 COc1ccc(-c2cc(C(=O)O)nc(O)n2)cc1Br Amb31094164 [2,0,0,0,0,0|0,1,0]=3 57 B22R3.222367 Cc1nc(C(=O)O)cc(-c2ccc3c(c2)OCCO3)n1 Amb5757444 [1,0,0,1,0,0|2,0,0]=4 58 B22R3.222367 Nc1nc(C(=O)O)cc(-c2ccc3c(c2)OCCO3)n1 Amb17061180 [1,0,0,1,0,0|2,0,0]=4 59 B20R2.65859 CC(C)Oc1ccc(-c2ncoc2C(=O)O)cc1F Amb18592051 [1,0,0,0,1,0|1,1,0]=4 60 B20R2.65859 CC(C)Oc1ccc(-c2ncsc2C(=O)O)cc1N Amb17563690 [1,0,0,0,1,0|2,0,0]=4 61 B20R2.65859 Cc1cc(-c2ncoc2C(=O)O)ccc1OC(C)C Amb18589204 [1,0,0,0,1,0|2,0,0]=4 62 B20R2.65859 Cc1cc(-c2ncsc2C(=O)O)ccc1OC(C)C Amb18595920 [1,0,0,0,1,0|2,0,0]=4 63 B20R2.65864 CC(C)Oc1ccc(-c2cc(C(=O)O)no2)cc1F Amb18592052 [1,0,0,0,1,0|1,1,0]=4 64 B20R2.65864 Cc1cc(-c2cc(C(=O)O)cs2)ccc1OC(C)C Amb18887771 [1,0,0,0,1,0|2,0,0]=4 65 B20R2.65864 Cc1cc(-c2cc(C(=O)O)no2)ccc1OC(C)C Amb18589205 [1,0,0,0,1,0|2,0,0]=4 66 B20R2.66825 CC(C)c1ccc(-c2cc(C(=O)O)cc(Cl)n2)cc1 Amb18595395 [1,0,0,0,1,0|2,0,0]=4 67 B20R2.66825 CC(C)c1ccc(-c2cc(C(=O)O)cc(N)n2)cc1 Amb31186789 [1,0,0,0,1,0|2,0,0]=4 68 B20R2.66825 CC(C)c1ccc(-c2cc(C(=O)O)nc(Cl)n2)cc1 Amb17169440 [1,0,0,0,1,0|1,0,0]=3 69 B20R2.66825 CC(C)c1ccc(-c2cc(C(=O)O)nc(N)n2)cc1 Amb17061167 [1,0,0,0,1,0|1,0,0]=3 70 B20R2.66825 CC(C)c1ccc(-c2cc(O)nc(C(=O)O)c2)cc1 Amb31114677 [1,0,0,0,1,0|1,1,0]=4 71 B20R2.66825 CC(C)c1ccc(C2=CC(C(=O)O)=NC(=S)N2)cc1 Amb18537173 [1,0,0,0,1,0|0,0,2]=4 72 B20R2.66825 CC(C)c1ccc(C2=NC(=O)NC(C(=O)O)=C2)cc1 Amb18529634 [1,0,0,0,1,0|0,1,1]=4 73 B20R2.66825 Cc1nc(C(=O)O)cc(-c2ccc(C(C)C)cc2)n1 Amb5757437 [1,0,0,0,1,0|1,0,0]=3 74 B20R2.69705 CC(C)Oc1ccc(-c2cc(C(=O)O)c(N)s2)cc1 Amb18888175 [1,0,0,0,1,0|2,0,0]=4 75 B20R2.69705 CC(C)Oc1ccc(-c2cc(C(=O)O)n(C)n2)cc1 Amb18588340 [1,0,0,0,1,0|2,0,0]=4 76 B20R2.69705 Cc1nc(-c2ccc(OC(C)C)cc2)oc1C(=O)O Amb18881966 [1,0,0,0,1,0|2,0,0]=4 77 B20R2.69705 Cc1nc(-c2ccc(OC(C)C)cc2)sc1C(=O)O Amb18595925 [1,0,0,0,1,0|2,0,0]=4 78 B20R2.71463 CC(C)Oc1ccc(-c2nc(N)sc2C(=O)O)cc1 Amb18596275 [1,0,0,0,1,0|2,0,0]=4 79 B20R2.71463 Cc1nc(-c2ccc(OC(C)C)cc2)c(C(=O)O)o1 Amb18589206 [1,0,0,0,1,0|2,0,0]=4 80 B20R2.71463 Cc1nc(-c2ccc(OC(C)C)cc2)c(C(=O)O)s1 Amb18595923 [1,0,0,0,1,0|2,0,0]=4 81 B20R2.140338 CC(C)Oc1ccc(-c2cc(C(=O)O)nn2C)cc1 Amb17267605 [1,0,0,0,1,0|2,0,0]=4 82 B20R2.70143 CCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1Br Amb5768898 [1,0,0,0,1,0|2,0,0]=4