0 B19R2.814602 CC1=CC(=O)Oc2cc(OCC)c(cc12)OCC Amb18475324 [0,0,0,0,0,0|0,0,0]=0 1 B19R2.814602 CCOc1cc2c(cc1OCC)NC(=O)NC2=O Amb22346688 [0,0,0,0,0,0|3,0,0]=3 2 B19R2.814602 CCOc1cc2oc(=O)cc(c2cc1OCC)C Amb1539447 [0,0,0,0,0,0|0,0,0]=0 3 B19R2.814602 Cc1cc(N)c2cc(OCC)c(cc2[n]1)OCC Amb24109705 [0,0,0,0,0,0|3,0,0]=3 4 B18R2.13955 CCOc1cc2C=CC(=O)Oc2cc1OCC Amb20660843 [1,0,0,0,0,0|0,0,0]=1 5 B18R2.14406 CCOc1cc2N=CNC(=O)c2cc1OCC Amb21858006 [1,0,0,0,0,0|3,0,0]=4 6 B18R2.14406 CCOc1cc2NC=CC(=O)c2cc1OCC Amb22263337 [1,0,0,0,0,0|2,0,0]=3 7 B18R2.14406 CCOc1cc2NC=CC(=S)c2cc1OCC Amb24109709 [1,0,0,0,0,0|2,0,0]=3 8 B18R2.14406 CCOc1cc2NC=NC(=O)c2cc1OCC Amb20242116 [1,0,0,0,0,0|3,0,0]=4 9 B18R2.14406 CCOc1cc2[n]c[n]c(Cl)c2cc1OCC Amb22295857 [1,0,0,0,0,0|3,0,0]=4 10 B18R2.14406 CCOc1cc2[n]ccc(N)c2cc1OCC Amb24109701 [1,0,0,0,0,0|2,0,0]=3 11 B18R2.14406 CCOc1cc2[n]ccc(O)c2cc1OCC Amb20657480 [1,0,0,0,0,0|2,0,0]=3 12 B18R2.46694 CC1=CC(=O)Oc2cc(OCC)c(CC)cc12 Amb19527511 [1,0,0,0,0,0|0,0,0]=1 13 B18R1.134920 CC=CC(=O)Nc1cc(OCC)c(cc1)OCC Amb22268739 [0,0,1,0,0,0|1,0,0]=2 14 B18R1.134920 CCOc1cc(ccc1OCC)NC(=O)OCC Amb22285172 [0,0,1,0,0,0|2,0,1]=4 15 B18R1.134920 CNCC(=O)Nc1ccc(c(c1)OCC)OCC Amb2276788 [0,0,1,0,0,0|2,0,1]=4 16 B18R1.189995 CC(=O)NC(C)c1cc(OCC)c(cc1)OCC Amb21123221 [0,0,1,0,0,0|2,0,1]=4 17 B17R1.81927 COC(=O)Cc1cc(OCC)c(cc1)OCC Amb18276344 [1,0,1,0,0,0|2,0,0]=4 18 B17R1.11913 CCOc1cc(CCC(=O)O)ccc1OCC Amb1050275 [1,0,1,0,0,0|0,0,2]=4 19 B17R1.11913 CCOc1cc(\C=C\C(=O)Cl)ccc1OCC Amb17145753 [1,0,1,0,0,0|1,0,0]=3 20 B17R1.11913 CCOc1cc(\C=C\C(=O)N)ccc1OCC Amb11222592 [1,0,1,0,0,0|1,0,0]=3 21 B17R1.11913 CCOc1cc(\C=C\C(=O)O)ccc1OCC Amb1210263 [1,0,1,0,0,0|0,0,0]=2 22 B17R1.11913 CCOc1cc(ccc1OCC)\C=C\[N+](=O)[O-] Amb1047026 [1,0,1,0,0,0|1,0,1]=4 23 B17R2.9660 COc1cc2OC(=O)C=Cc2cc1CCC Amb21993753 [2,0,0,0,0,0|1,0,0]=3 24 B17R2.29149 CC1=CC(=O)Oc2cc(OCC)c(Cl)cc12 Amb18475878 [2,0,0,0,0,0|1,0,0]=3 25 B17R2.29149 CCNc1cc2OC(=O)C=C(C)c2cc1C Amb19652298 [2,0,0,0,0,0|1,0,0]=3 26 B17R2.29149 CCOc1cc2oc(=O)cc(c2cc1N)C Amb1760998 [2,0,0,0,0,0|1,0,0]=3 27 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(CC)cc12 Amb22357591 [2,0,0,0,0,0|0,0,0]=2 28 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(cc12)C=O Amb19527546 [2,0,0,0,0,0|1,0,1]=4 29 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(cc12)OC Amb19131943 [2,0,0,0,0,0|0,0,0]=2 30 B17R2.139606 CC=1NC(=O)C=C2C=C(OC)C(=CC12)OC Amb22358964 [2,0,0,0,0,0|2,0,0]=4 31 B17R2.139606 COc1cc2[nH]c(=O)cc(c2cc1OC)O Amb10817390 [2,0,0,0,0,0|2,0,0]=4 32 B17R2.139606 COc1cc2nc(Cl)cc(c2cc1OC)C Amb10608583 [2,0,0,0,0,0|2,0,0]=4 33 B17R2.222596 CC1=CC(=O)Oc2cc(Cl)c(cc12)OCC Amb19802695 [2,0,0,0,0,0|1,0,0]=3 34 B19R1.211632 CC(C)=CC(=O)Nc1cc(OCC)c(cc1)OCC Amb23911512 [0,1,1,0,0,0|1,0,0]=3 35 B19R1.306203 CCOc1cc(ccc1OCC)C(CC(=O)O)CN Amb1050588 [0,1,1,0,0,0|0,0,2]=4 36 B19R2.693390 Cc1cc2cc(OCC)c(cc2[n]c1Cl)OCC Amb23963670 [1,1,0,0,0,0|2,0,0]=4 37 B19R2.20387 CCOc1cc2c(cc1OCC)[n]ccc2NN Amb24109712 [1,1,0,0,0,0|2,0,0]=4 38 B19R2.138740 CC1=CC(=O)Oc2cc(OCC=C)c(CC)cc12 Amb19770112 [1,1,0,0,0,0|0,0,1]=3 39 B19R2.692967 CC1=CC(=O)Oc2cc(OCC)c(cc12)[N+]([O-])=O Amb19542721 [1,1,0,0,0,0|2,0,0]=4 40 B19R2.1605136 CC(=O)Oc1cc2OC(=O)C=C(C)c2cc1CC Amb19527487 [1,1,0,0,0,0|0,0,1]=3 41 B19R2.2400903 CC1=CC(=O)Oc2cc(OC)c(cc12)C(=O)OC Amb21993757 [1,1,0,0,0,0|2,0,0]=4 42 B21R2.14572058 CC1=CC(=O)Oc2c1cc(c(OCC)c2C)C(=O)CC Amb21992334 [0,2,0,0,0,0|1,0,0]=3 43 B21R2.728026 CC1=CC(=O)Oc2cc(OCC=C)c(cc21)OCC=C Amb21928396 [0,2,0,0,0,0|0,0,2]=4 44 B21R2.60750608 CC(=O)Oc1cc2OC(=O)C=C(C)c2cc1OC(C)=O Amb17974801 [0,2,0,0,0,0|0,0,2]=4 45 B21R2.60750608 CC(=O)Oc1cc2oc(=O)cc(c2cc1OC(=O)C)C Amb1008960 [0,2,0,0,0,0|0,0,2]=4 46 B19R2.119345 CCOc1cc(ccc1OCC)-c2cc(O)o[n]2 Amb20672996 [0,0,1,1,0,0|1,0,1]=4 47 B19R2.6257160 CCOc1cc(ccc1OCC)C2CC2C(=O)O Amb17568226 [0,0,1,1,0,0|0,0,2]=4 48 B19R3.2530675 Clc1cc(C)c2c(n1)cc3c(c2)OCCCO3 Amb17318989 [1,0,0,1,0,0|2,0,0]=4 49 B19R3.7792947 CC1=CC(=O)Oc2cc3OC(=O)CCc3cc21 Amb19120033 [1,0,0,1,0,0|1,0,1]=4 50 B19R3.8155948 CC1=CC(=O)Oc2cc3oc(C)c(C)c3cc12 Amb17974852 [1,0,0,1,0,0|0,0,2]=4 51 B19R1.211532 CCOc1cc(ccc1OCC)C(=O)CCC(=O)O Amb2370525 [0,0,1,0,0,1|1,0,1]=4 52 B19R1.211532 CCOc1cc(ccc1OCC)C(=O)NCC(=O)O Amb1102856 [0,0,1,0,0,1|1,0,1]=4 53 B19R1.211532 CN(CCC(O)=O)c1cc(OCC)c(cc1)OCC Amb18609176 [0,0,1,0,0,1|1,0,1]=4 54 B19R2.693047 CC1=CC(=O)Oc2cc(cc(OCC)c12)OCC Amb18007987 [0,0,0,0,1,1|0,0,0]=2