0 B22R3.48377 NNC(=O)c1[nH]c2c(c1)cc(cc2)Oc3ccccc3 Amb1777716 [0,0,0,0,0,0|2,0,0]=2 1 B21R3.3317 COCc1[nH]c2ccc(cc2[n]1)Sc3ccccc3 Amb22055714 [1,0,0,0,0,0|1,1,1]=4 2 B21R3.24083 OC(=O)c1[nH]c2c(c1)cc(cc2)Oc3ccccc3 Amb1793945 [1,0,0,0,0,0|0,0,0]=1 3 B23R3.57947 CCOC(=O)c1[nH]c2c(c1)cc(cc2)Oc3ccccc3 Amb1784473 [0,1,0,0,0,0|0,0,0]=1 4 B23R3.1375722 NNC(=O)c1cc2c(n1C)ccc(c2)Oc3ccccc3 Amb1778373 [0,1,0,0,0,0|2,0,0]=3 5 B21R2.20742 Cc1cc(ccc1CCC(=O)OC)Oc2ccccc2 Amb18942789 [0,0,1,0,0,0|1,0,2]=4 6 B21R2.22611 COC(=O)CCc1cc(ccc1O)Oc2ccccc2 Amb18941930 [0,0,1,0,0,0|1,0,2]=4 7 B23R3.1375090 COC(=O)c1cc2c([nH]1)cc(cc2)OCc3ccccc3 Amb1109058 [0,0,0,0,0,1|2,0,0]=3 8 B20R2.347 COC(=O)CCc1ccc(cc1)Oc2ccccc2 Amb18276588 [1,0,1,0,0,0|1,0,1]=4 9 B20R2.347 COC(=O)CNc1ccc(cc1)Oc2ccccc2 Amb1798551 [1,0,1,0,0,0|0,0,1]=3 10 B20R2.392 CC=CC(=O)Nc1ccc(cc1)Oc2ccccc2 Amb22268759 [1,0,1,0,0,0|2,0,0]=4 11 B20R2.2705 C\C(=C/c1ccc(cc1)Oc2ccccc2)\C(=O)O Amb17161858 [1,0,1,0,0,0|1,0,1]=4 12 B20R2.350 COC(=O)\C=C\c1cccc(c1)Oc2ccccc2 Amb23505049 [1,0,1,0,0,0|0,0,0]=2 13 B20R2.2706 OC(=O)C(=O)Cc1cccc(c1)Oc2ccccc2 Amb1139620 [1,0,1,0,0,0|1,0,1]=4 14 B20R2.140370 OC(=O)\C=C\c1ccc(cc1Cl)Oc2ccccc2 Amb13882735 [1,0,1,0,0,0|2,0,0]=4 15 B22R2.1375 CNC(=O)\C(=C\c1cccc(c1)Oc2ccccc2)\C#N Amb1208093 [0,1,1,0,0,0|1,0,1]=4 16 B22R3.65242 OC(=O)c1cc2c(n1C)ccc(c2)Oc3ccccc3 Amb1803485 [1,1,0,0,0,0|0,0,0]=2 17 B22R3.65895 Cc1c([nH]c2ccc(cc21)Oc3ccccc3)C(O)=O Amb18906194 [1,1,0,0,0,0|0,0,0]=2 18 B22R3.670925 Clc1ccccc1Cc2ccc3c(c2)cc(o3)C(=O)O Amb10777528 [1,1,0,0,0,0|2,0,0]=4 19 B22R3.40163 CCOC(=O)c1[n]c2cc(ccc2o1)-c3ccccc3 Amb22462711 [0,1,0,0,1,0|2,0,0]=4 20 B22R3.40163 CCOC(=O)c1c[n]2cc(ccc2[n]1)-c3ccccc3 Amb19957855 [0,1,0,0,1,0|1,0,1]=4 21 B24R3.699604 CCOC(=O)c1[nH]c2c(c1)cc(cc2)OCc3ccccc3 Amb1033234 [0,1,0,0,0,1|0,0,0]=2 22 B24R3.699604 CCOC(=O)c1cc2ccc(cc2[nH]1)OCc3ccccc3 Amb24109564 [0,1,0,0,0,1|2,0,0]=4 23 B24R3.1131747 COC(=O)c1sc2c(c1)cc(cc2)NC(=O)c3ccccc3 Amb2407454 [0,1,0,0,0,1|2,0,0]=4 24 B24R3.3686650 COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c3ccccc3 Amb1816282 [0,1,0,0,0,1|2,0,0]=4 25 B24R3.3686650 COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(c3ccccc3)O Amb17613000 [0,1,0,0,0,1|2,0,0]=4 26 B24R3.123304 CCCNC(=O)c1cc2c([nH]1)ccc(c2)Oc3ccccc3 Amb1809582 [0,2,0,0,0,0|1,0,0]=3 27 B24R3.700377 CCOC(=O)c1cc2c(n1C)ccc(c2)Oc3ccccc3 Amb1769972 [0,2,0,0,0,0|0,0,0]=2 28 B24R3.32538274 CCOC(=O)c1[nH]c2c(c1)cc(cc2)Oc3cccc(c3)C Amb1830134 [0,2,0,0,0,0|0,0,0]=2 29 B22R3.11802 O=C1CCN(c2ccc(cc2)Oc3ccccc3)C1=O Amb18884827 [0,0,1,1,0,0|2,0,0]=4 30 B24R4.32685781 O=C1CCCc2c1[nH]c3c2cc(cc3)Oc4ccccc4 Amb1016578 [0,1,0,1,0,0|1,0,0]=3 31 B20R2.424 COC(=O)C(=O)c1cccc(c1)Oc2ccccc2 Amb22641511 [0,0,1,0,1,0|1,0,0]=3 32 B20R2.424 COC(=O)C(O)c1cccc(c1)Oc2ccccc2 Amb22469409 [0,0,1,0,1,0|1,0,1]=4 33 B20R2.16291 COC(=O)c1ccc(o1)C=CC(=O)c2ccccc2 Amb15730667 [0,0,1,0,1,0|2,0,0]=4 34 B20R2.331080 Cc1cc(ccc1CC(=O)OC)Oc2ccccc2 Amb18277138 [0,0,1,0,1,0|0,0,2]=4 35 B20R2.27190 COC(=O)Cc1cc(ccc1O)Oc2ccccc2 Amb18941933 [0,0,1,0,1,0|1,0,1]=4 36 B20R3.15819 OC(=O)c1[nH]c2c(c1)cc(cc2)c3ccccc3 Amb17137554 [1,0,0,0,1,0|0,0,0]=2 37 B20R3.417074 COC(=O)c1cc2oc(cc2[nH]1)-c3ccccc3 Amb22898849 [0,0,0,0,2,0|1,0,0]=3 38 B22R2.24861 Cc1cc(ccc1\C=C\C(=O)OC)OCc2ccccc2 Amb24088119 [0,0,1,0,0,1|1,0,1]=4 39 B22R3.779534 NC(=O)c1ccc2c(n1)ccc(c2)Oc3ccccc3 Amb17585614 [1,0,0,0,0,1|1,0,1]=4 40 B22R3.781917 CC(=O)c1oc2c(c1)cc(cc2)OCc3ccccc3 Amb17334029 [1,0,0,0,0,1|1,0,0]=3 41 B22R3.781917 CC(=O)c1oc2c(c1)cc(cc2)\N=N\c3ccccc3 Amb1030892 [1,0,0,0,0,1|2,0,0]=4 42 B22R3.781917 OC(=O)c1[nH]c2c(c1)cc(cc2)OCc3ccccc3 Amb1025529 [1,0,0,0,0,1|0,0,0]=2 43 B22R3.781917 OC(=O)c1cc2c([nH]1)cc(cc2)OCc3ccccc3 Amb2235024 [1,0,0,0,0,1|2,0,0]=4 44 B22R3.781917 OC(=O)c1cc2c([nH]1)ccc(n2)OCc3ccccc3 Amb10067644 [1,0,0,0,0,1|1,0,0]=3 45 B22R3.781917 OC(=O)c1cc2ccc(cc2o1)OCc3ccccc3 Amb23555607 [1,0,0,0,0,1|2,0,0]=4 46 B24R3.1131753 COC(=O)c1cc2c([nH]1)cc(cc2)OCCc3ccccc3 Amb2235752 [0,0,0,0,0,2|2,0,0]=4