0 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000730704_100010199036 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000730704_200010163580 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.120971 C=C(C)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000730704_100010199035 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.120971 C=C(C)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000730704_100012353730 [0,0,0,0,0,0|4,0,0]=4 4 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000038029_200025704644 [0,0,0,0,0,0|0,0,0]=0 5 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 7a_100000038029_200025704644 [0,0,0,0,0,0|0,0,0]=0 6 B18R2.120971 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)C#N 4a_100000189765_100000687985 [0,0,0,0,0,0|3,0,1]=4 7 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCC=C(C)C 62a_100000761012_200010163580 [0,0,0,0,0,0|4,0,0]=4 8 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(=O)C 62a_100000053229_200010163580 [0,0,0,0,0,0|3,0,0]=3 9 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(=O)N 62a_100000744528_200010163580 [0,0,0,0,0,0|4,0,0]=4 10 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCOC(=O)C 62a_100000076356_200010163580 [0,0,0,0,0,0|3,0,0]=3 11 B18R2.120971 COc1ccc2[nH]cc(c2c1)C=NNC(=O)C 4a_100000189765_100000748866 [0,0,0,0,0,0|1,0,1]=2 12 B18R2.120971 COc1ccc2[nH]cc(c2c1)C=NNC(C)C 4a_100000741168_100000748866 [0,0,0,0,0,0|2,0,2]=4 13 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 240690a_100000755253_100015343762 [0,0,0,0,0,0|0,0,0]=0 14 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_200000210301 [0,0,0,0,0,0|0,0,0]=0 15 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 527a_100000755253_100103153847 [0,0,0,0,0,0|0,0,0]=0 16 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_200000210301 [0,0,0,0,0,0|0,0,0]=0 17 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000755253_100000210206 [0,0,0,0,0,0|1,0,1]=2 18 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCOC(C)C 34a_200011933912_100000210206 [0,0,0,0,0,0|2,0,1]=3 19 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000084035_100000210432 [0,0,0,0,0,0|3,0,1]=4 20 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000210953_100000748866 [0,0,0,0,0,0|3,0,1]=4 21 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100000748866 [0,0,0,0,0,0|2,0,2]=4 22 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCC=C(C)C 62a_100000761012_100010199035 [0,0,0,0,0,0|4,0,0]=4 23 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(=O)C 62a_100000053229_100010199035 [0,0,0,0,0,0|3,0,0]=3 24 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(=O)N 62a_100000744528_100010199035 [0,0,0,0,0,0|4,0,0]=4 25 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCOC(=O)C 62a_100000076356_100010199035 [0,0,0,0,0,0|3,0,0]=3 26 B18R2.120971 COc1ccc2[nH]nc(c2c1)C=NNC(=O)C 4a_100000189765_100000084273 [0,0,0,0,0,0|2,0,1]=3 27 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCC=C(C)C 62a_100000761012_100012353730 [0,0,0,0,0,0|4,0,0]=4 28 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(=O)C 62a_100000053229_100012353730 [0,0,0,0,0,0|3,0,0]=3 29 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(=O)N 62a_100000744528_100012353730 [0,0,0,0,0,0|4,0,0]=4 30 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCOC(=O)C 62a_100000076356_100012353730 [0,0,0,0,0,0|3,0,0]=3 31 B18R2.120971 COc1ccc2[nH]nc(c2n1)SCCC(=O)C 62a_100000053229_200010246295 [0,0,0,0,0,0|4,0,0]=4 32 B18R2.120971 COc1ccc2[nH]nc(c2n1)SCOC(=O)C 62a_100000076356_200010246295 [0,0,0,0,0,0|4,0,0]=4 33 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCC=C(C)C 62a_100000761012_100010199036 [0,0,0,0,0,0|4,0,0]=4 34 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(=O)C 62a_100000053229_100010199036 [0,0,0,0,0,0|3,0,0]=3 35 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(=O)N 62a_100000744528_100010199036 [0,0,0,0,0,0|4,0,0]=4 36 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCOC(=O)C 62a_100000076356_100010199036 [0,0,0,0,0,0|3,0,0]=3 37 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [1,0,0,0,0,0|2,0,0]=3 38 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)C 62a_100000053229_100010246215 [1,0,0,0,0,0|3,0,0]=4 39 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)C 62a_100000053229_100010212567 [1,0,0,0,0,0|3,0,0]=4 40 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)C 62a_100000053229_100000123028 [1,0,0,0,0,0|3,0,0]=4 41 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [1,0,0,0,0,0|1,0,0]=2 42 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [1,0,0,0,0,0|1,0,0]=2 43 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [1,0,0,0,0,0|0,0,0]=1 44 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [1,0,0,0,0,0|0,0,0]=1 45 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [1,0,0,0,0,0|0,0,0]=1 46 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [1,0,0,0,0,0|1,0,0]=2 47 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [1,0,0,0,0,0|1,0,0]=2 48 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [1,0,0,0,0,0|1,0,0]=2 49 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [1,0,0,0,0,0|1,0,0]=2 50 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [1,0,0,0,0,0|1,0,0]=2 51 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [1,0,0,0,0,0|1,0,0]=2 52 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [1,0,0,0,0,0|0,0,0]=1 53 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [1,0,0,0,0,0|0,0,0]=1 54 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 11a_100016989105_100015343762 [1,0,0,0,0,0|2,0,0]=3 55 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 1626a_100016989105_100015343762 [1,0,0,0,0,0|2,0,0]=3 56 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100015343762 [1,0,0,0,0,0|2,0,0]=3 57 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100103153847 [1,0,0,0,0,0|2,0,0]=3 58 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)Br 4a_100000189765_100000187850 [1,0,0,0,0,0|2,0,1]=4 59 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)C 4a_100000189765_100000757390 [1,0,0,0,0,0|1,0,1]=3 60 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)Cl 4a_100000189765_100011218521 [1,0,0,0,0,0|2,0,1]=4 61 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)F 4a_100000189765_100000747633 [1,0,0,0,0,0|2,0,1]=4 62 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)I 4a_100000189765_100010871809 [1,0,0,0,0,0|2,0,1]=4 63 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cc2)O 4a_100000189765_100000059740 [1,0,0,0,0,0|1,0,1]=3 64 B17R2.25462 CC(=O)NN=Cc1c[nH]c2c1cc(cn2)C 4a_100000189765_100000118124 [1,0,0,0,0,0|2,0,1]=4 65 B17R2.25462 CC(=O)NN=Cc1n[nH]c2c1cc(cc2)C 4a_100000189765_100000050950 [1,0,0,0,0,0|2,0,1]=4 66 B17R2.25462 CC(=O)OCSc1c[nH]c2c1cc(cn2)C 62a_100000076356_100010246215 [1,0,0,0,0,0|3,0,0]=4 67 B17R2.25462 CC(=O)OCSc1c[nH]c2c1nc(cc2)C 62a_100000076356_100010212567 [1,0,0,0,0,0|3,0,0]=4 68 B17R2.25462 CC(=O)OCSc1n[nH]c2c1cc(cc2)C 62a_100000076356_100000123028 [1,0,0,0,0,0|3,0,0]=4 69 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000210206 [1,0,0,0,0,0|2,0,1]=4 70 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000210206 [1,0,0,0,0,0|2,0,1]=4 71 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000210206 [1,0,0,0,0,0|2,0,1]=4 72 B17R2.25462 Cc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000008874_100000210206 [1,0,0,0,0,0|1,0,1]=3 73 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B17R2.1231010 C/C=C/CSc1c[nH]c2c1cc(cn2)OC 62a_100102629194_100010199036 [1,0,0,0,0,0|3,0,0]=4 75 B17R2.1231010 C/C=C/CSc1c[nH]c2c1cc(nc2)OC 62a_100102629194_200010163580 [1,0,0,0,0,0|3,0,0]=4 76 B17R2.1231010 C/C=C/CSc1c[nH]c2c1nc(cc2)OC 62a_100102629194_100010199035 [1,0,0,0,0,0|3,0,0]=4 77 B17R2.1231010 C/C=C/CSc1n[nH]c2c1cc(cc2)OC 62a_100102629194_100012353730 [1,0,0,0,0,0|3,0,0]=4 78 B17R2.1231010 C=CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020586998_100000748866 [1,0,0,0,0,0|2,0,1]=4 79 B17R2.1231010 CC=CCSc1c[nH]c2c1cc(cn2)OC 62a_100000070051_100010199036 [1,0,0,0,0,0|3,0,0]=4 80 B17R2.1231010 CC=CCSc1c[nH]c2c1cc(nc2)OC 62a_100000070051_200010163580 [1,0,0,0,0,0|3,0,0]=4 81 B17R2.1231010 CC=CCSc1c[nH]c2c1nc(cc2)OC 62a_100000070051_100010199035 [1,0,0,0,0,0|3,0,0]=4 82 B17R2.1231010 CC=CCSc1n[nH]c2c1cc(cc2)OC 62a_100000070051_100012353730 [1,0,0,0,0,0|3,0,0]=4 83 B17R2.1231010 CCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020643023_100000748866 [1,0,0,0,0,0|2,0,1]=4 84 B17R2.1231010 CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000210202 [1,0,0,0,0,0|0,0,1]=2 85 B17R2.1231010 CCNN=Cc1c[nH]c2c1cc(cc2)OC 4a_100000756455_100000748866 [1,0,0,0,0,0|1,0,2]=4 86 B17R2.1231010 CCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000210202 [1,0,0,0,0,0|1,0,1]=3 87 B17R2.1231010 COc1ccc2[nH]cc(c2c1)CCOCF 34a_200011933912_100015361967 [1,0,0,0,0,0|2,0,1]=4 88 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 34a_100000038029_100015361967 [0,1,0,0,0,0|0,0,0]=1 89 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 7a_100000038029_100015361967 [0,1,0,0,0,0|0,0,0]=1 90 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)C=NNC(=O)C 4a_100000189765_100102524904 [0,1,0,0,0,0|1,0,1]=3 91 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100000210202 [0,1,0,0,0,0|0,0,0]=1 92 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100000210202 [0,1,0,0,0,0|0,0,0]=1 93 B19R2.195242 COc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)C 40a_100000755253_100000738038 [0,1,0,0,0,0|1,0,0]=2 94 B19R2.195242 COc1ccc2[nH]cc(c2c1)CCOC(C)(C)C 34a_200011933912_100000210625 [0,1,0,0,0,0|2,0,1]=4 95 B19R2.296928 COc1ccc2[nH]c(c(c2c1)C=NNC(=O)C)C 4a_100000189765_100011998116 [0,1,0,0,0,0|1,0,1]=3 96 B19R2.1547536 C=C(C)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000748629 [0,1,0,0,0,0|3,0,0]=4 97 B19R2.1547536 COc1ccc2c(c1)c(cn2C)C=NNC(=O)C 4a_100000189765_100000012615 [0,1,0,0,0,0|1,0,1]=3 98 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(=O)N 34a_100000077082_100000187820 [0,1,0,0,0,0|3,0,0]=4 99 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(=O)[O-] 34a_100000077082_100020667443 [0,1,0,0,0,0|3,0,0]=4 100 B19R2.1547536 COc1ccc2c(c1)c(nn2C)SCCC(=O)C 62a_100000053229_100010988832 [0,1,0,0,0,0|3,0,0]=4 101 B19R2.1547536 COc1ccc2c(c1)c(nn2C)SCOC(=O)C 62a_100000076356_100010988832 [0,1,0,0,0,0|3,0,0]=4 102 B19R2.1645485 C#CC(C)OCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000035995 [0,1,0,0,0,0|2,0,1]=4 103 B19R2.1645485 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_200121576911 [0,1,0,0,0,0|0,0,1]=2 104 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210414 [0,1,0,0,0,0|0,0,0]=1 105 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000210414 [0,1,0,0,0,0|0,0,0]=1 106 B19R2.1645485 CCC(=O)NN=Cc1c[nH]c2c1cc(cc2)OC 4a_100000183195_100000748866 [0,1,0,0,0,0|1,0,1]=3 107 B19R2.1645485 CCC(=O)NN=Cc1n[nH]c2c1cc(cc2)OC 4a_100000183195_100000084273 [0,1,0,0,0,0|2,0,1]=4 108 B19R2.1645485 CCC(C)NCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000758301 [0,1,0,0,0,0|1,0,1]=3 109 B19R2.1645485 CCC(C)OCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100011215416 [0,1,0,0,0,0|2,0,1]=4 110 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000737683_100010199036 [0,1,0,0,0,0|3,0,0]=4 111 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000737683_200010163580 [0,1,0,0,0,0|3,0,0]=4 112 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000737683_100010199035 [0,1,0,0,0,0|3,0,0]=4 113 B19R2.1645485 CNC(=O)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000737683_100012353730 [0,1,0,0,0,0|3,0,0]=4 114 B19R2.1645485 CNC(=O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100000693194_100000748866 [0,1,0,0,0,0|2,0,0]=3 115 B19R2.1645485 CNC(=O)CNCc1n[nH]c2c1cc(cc2)OC 207a_100000693194_100000084273 [0,1,0,0,0,0|3,0,0]=4 116 B19R2.1645485 CNC(=O)CNCc1n[nH]c2c1cc(cc2)OC 270004a_100000693194_100000084273 [0,1,0,0,0,0|3,0,0]=4 117 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100000755253_106832991635 [0,1,0,0,0,0|0,0,0]=1 118 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000755253 [0,1,0,0,0,0|0,0,0]=1 119 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000755253 [0,1,0,0,0,0|0,0,0]=1 120 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100000755253_100102657272 [0,1,0,0,0,0|0,0,0]=1 121 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000755253 [0,1,0,0,0,0|0,0,0]=1 122 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000204255_100010199036 [0,1,0,0,0,0|3,0,0]=4 123 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000204255_200010163580 [0,1,0,0,0,0|3,0,0]=4 124 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000204255_100010199035 [0,1,0,0,0,0|3,0,0]=4 125 B19R2.1645485 COC(=O)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000204255_100012353730 [0,1,0,0,0,0|3,0,0]=4 126 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 240690a_100000755253_100000210174 [0,1,0,0,0,0|0,0,0]=1 127 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 527a_100000755253_100000210174 [0,1,0,0,0,0|0,0,0]=1 128 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(C)C#N 2230a_100000755253_100000184139 [0,1,0,0,0,0|1,0,1]=3 129 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(C)CO 2230a_100000755253_100012180447 [0,1,0,0,0,0|0,0,2]=3 130 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCOC(C)CO 34a_200011933912_100012180447 [0,1,0,0,0,0|1,0,2]=4 131 B19R2.1645486 C=C(C)C(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000185857 [0,1,0,0,0,0|3,0,0]=4 132 B19R2.1645486 COc1cc2c(c[nH]c2cn1)SCC(=O)C(=O)C 62a_100011261029_200010163580 [0,1,0,0,0,0|3,0,0]=4 133 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)C(C)C 1458a_100010000191_100000210206 [0,1,0,0,0,0|2,0,1]=4 134 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 11a_100102631434_100010000191 [0,1,0,0,0,0|3,0,0]=4 135 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 240690a_100102631434_100010000191 [0,1,0,0,0,0|3,0,0]=4 136 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 527a_100102631434_100010000191 [0,1,0,0,0,0|3,0,0]=4 137 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)C(=O)N 240690a_100000084035_100011215815 [0,1,0,0,0,0|3,0,0]=4 138 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000748866 [0,1,0,0,0,0|3,0,0]=4 139 B19R2.1645486 COc1ccc2[nH]cc(c2n1)SCC(=O)C(=O)C 62a_100011261029_100010199035 [0,1,0,0,0,0|3,0,0]=4 140 B19R2.1645486 COc1ccc2[nH]nc(c2c1)SCC(=O)C(=O)C 62a_100011261029_100012353730 [0,1,0,0,0,0|3,0,0]=4 141 B19R2.1645486 COc1cnc2[nH]cc(c2c1)SCC(=O)C(=O)C 62a_100011261029_100010199036 [0,1,0,0,0,0|3,0,0]=4 142 B19R2.1645535 C=C(C)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000748629 [0,1,0,0,0,0|2,0,1]=4 143 B19R2.1645535 C=C(C)CN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000225649_100000748866 [0,1,0,0,0,0|3,0,0]=4 144 B19R2.1645535 COc1cc2c(c[nH]c2cn1)SC(C)OC(=O)C 62a_100009818208_200010163580 [0,1,0,0,0,0|3,0,0]=4 145 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)N 1458a_100000739362_100000187820 [0,1,0,0,0,0|2,0,1]=4 146 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)[O-] 1458a_100000739362_100020667443 [0,1,0,0,0,0|2,0,1]=4 147 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)NC(C)C 240690a_100138425928_100000739362 [0,1,0,0,0,0|1,0,2]=4 148 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)NC(C)C 527a_100138425928_100000739362 [0,1,0,0,0,0|1,0,2]=4 149 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CN(C)CC(=O)N 270004a_100000739694_100000748866 [0,1,0,0,0,0|3,0,0]=4 150 B19R2.1645535 COc1ccc2[nH]cc(c2n1)SC(C)OC(=O)C 62a_100009818208_100010199035 [0,1,0,0,0,0|3,0,0]=4 151 B19R2.1645535 COc1ccc2[nH]nc(c2c1)SC(C)OC(=O)C 62a_100009818208_100012353730 [0,1,0,0,0,0|3,0,0]=4 152 B19R2.1645535 COc1cnc2[nH]cc(c2c1)SC(C)OC(=O)C 62a_100009818208_100010199036 [0,1,0,0,0,0|3,0,0]=4 153 B17R1.2 COc1ccc(cc1)CCNCCNC(=O)C 2230a_100000209853_100011713689 [0,0,1,0,0,0|2,0,1]=4 154 B17R1.2 COc1ccc(cc1)CCNCCNC(=O)C 2230a_100000210796_100000189650 [0,0,1,0,0,0|2,0,1]=4 155 B17R1.2 COc1ccc(cc1)CCOCCNC(=O)C 34a_100000158858_100000184700 [0,0,1,0,0,0|2,0,1]=4 156 B17R1.2 COc1ccc(cc1)CCOCCNC(=O)C 7a_100011219623_100000189650 [0,0,1,0,0,0|2,0,1]=4 157 B17R1.2 COc1ccc(cc1)CCSCCNC(=O)C 62a_100000189650_100011713689 [0,0,1,0,0,0|2,0,1]=4 158 B17R1.2 COc1ccc(cc1)CCSCCNC(=O)C 62a_100011713689_100000189650 [0,0,1,0,0,0|2,0,1]=4 159 B17R1.2 COc1ccc(cc1)CNCCCNC(=O)C 207a_100000736810_100000169835 [0,0,1,0,0,0|2,0,1]=4 160 B17R1.2 COc1ccc(cc1)CNCCCNC(=O)C 270004a_100000736810_100000169835 [0,0,1,0,0,0|2,0,1]=4 161 B17R1.2 COc1ccc(cc1)CNCCCNC(=O)C 34a_100000736810_100000742318 [0,0,1,0,0,0|2,0,1]=4 162 B17R1.2 COc1ccc(cc1)COCCCNC(=O)C 34a_100000752032_100000742318 [0,0,1,0,0,0|2,0,1]=4 163 B17R1.2 COc1ccc(cc1)NCCCCOC(=O)C 34a_100000184247_100000033659 [0,0,1,0,0,0|1,0,2]=4 164 B17R1.2 COc1ccc(cc1)NCCCCSC(=O)C 34a_100000184247_200010402107 [0,0,1,0,0,0|1,0,2]=4 165 B17R1.2 COc1ccc(cc1)NCOCCOC(=O)C 34a_100000184247_100000076355 [0,0,1,0,0,0|2,0,1]=4 166 B17R1.6244 CCN(CCNC(=O)C)c1cccc(c1)OC 2230a_100000219733_100000189650 [0,0,1,0,0,0|2,0,1]=4 167 B17R1.6244 CCN(CCNC(=O)C)c1cccc(c1)OC 269982a_100000219733_100000189650 [0,0,1,0,0,0|2,0,1]=4 168 B17R1.6677 COc1ccc(c(c1)NCCNC(=O)C)C#N 2230a_100000687564_100000189650 [0,0,1,0,0,0|3,0,0]=4 169 B17R1.6677 COc1ccc(c(c1)NCCNC(=O)C)C#N 7a_100000687564_100000189650 [0,0,1,0,0,0|3,0,0]=4 170 B17R1.6677 COc1ccc(c(c1)NCCNC(=O)C)OC 2230a_100000184736_100000189650 [0,0,1,0,0,0|2,0,1]=4 171 B17R1.6677 COc1ccc(c(c1)OCCNC(=O)C)C#N 7a_100011999188_100000189650 [0,0,1,0,0,0|3,0,0]=4 172 B17R1.6677 COc1ccc(c(c1)OCCNC(=O)C)N=O 7a_200010658452_100000189650 [0,0,1,0,0,0|2,0,1]=4 173 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)C#N 62a_100000189650_100012355471 [0,0,1,0,0,0|3,0,0]=4 174 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)C=O 62a_100000189650_100000723261 [0,0,1,0,0,0|3,0,0]=4 175 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)C=O 62a_100000723261_100000189650 [0,0,1,0,0,0|3,0,0]=4 176 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)CO 62a_100000189650_100011982768 [0,0,1,0,0,0|3,0,0]=4 177 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)CO 62a_100011982768_100000189650 [0,0,1,0,0,0|3,0,0]=4 178 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)OC 62a_100000189650_100011215452 [0,0,1,0,0,0|2,0,1]=4 179 B17R1.6677 COc1ccc(c(c1)SCCNC(=O)C)OC 62a_100011215452_100000189650 [0,0,1,0,0,0|2,0,1]=4 180 B17R1.6732 CCc1ccc(c(c1)C(=O)CCNC(=O)C)O 1458a_200000748397_100000189650 [0,0,1,0,0,0|3,0,0]=4 181 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)Br 1458a_100000211723_100011215641 [0,0,1,0,0,0|3,0,0]=4 182 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)C 1458a_100011399813_100011215641 [0,0,1,0,0,0|3,0,0]=4 183 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)Cl 1458a_100000763818_100011215641 [0,0,1,0,0,0|3,0,0]=4 184 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)F 1458a_100011217016_100011215641 [0,0,1,0,0,0|3,0,0]=4 185 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)I 1458a_100012339533_100011215641 [0,0,1,0,0,0|3,0,0]=4 186 B17R1.6732 COc1ccc(c(c1)C(=O)CCCC(=O)C)O 1458a_100000211986_100011215641 [0,0,1,0,0,0|3,0,0]=4 187 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)Br 1458a_100000211723_100000189650 [0,0,1,0,0,0|2,0,0]=3 188 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)C 1458a_100011399813_100000189650 [0,0,1,0,0,0|2,0,0]=3 189 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)Cl 1458a_100000763818_100000189650 [0,0,1,0,0,0|2,0,0]=3 190 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)F 1458a_100011217016_100000189650 [0,0,1,0,0,0|2,0,0]=3 191 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)I 1458a_100012339533_100000189650 [0,0,1,0,0,0|2,0,0]=3 192 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)O 1458a_100000211986_100000189650 [0,0,1,0,0,0|2,0,0]=3 193 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)Br 1458a_100000211723_200000034859 [0,0,1,0,0,0|3,0,0]=4 194 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)C 1458a_100011399813_200000034859 [0,0,1,0,0,0|3,0,0]=4 195 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)Cl 1458a_100000763818_200000034859 [0,0,1,0,0,0|3,0,0]=4 196 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)F 1458a_100011217016_200000034859 [0,0,1,0,0,0|3,0,0]=4 197 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)I 1458a_100012339533_200000034859 [0,0,1,0,0,0|3,0,0]=4 198 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)N)O 1458a_100000211986_200000034859 [0,0,1,0,0,0|3,0,0]=4 199 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)Br 1458a_100000211723_100009814007 [0,0,1,0,0,0|3,0,0]=4 200 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)C 1458a_100011399813_100009814007 [0,0,1,0,0,0|3,0,0]=4 201 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)Cl 1458a_100000763818_100009814007 [0,0,1,0,0,0|3,0,0]=4 202 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)F 1458a_100011217016_100009814007 [0,0,1,0,0,0|3,0,0]=4 203 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)I 1458a_100012339533_100009814007 [0,0,1,0,0,0|3,0,0]=4 204 B17R1.6732 COc1ccc(c(c1)C(=O)CCOC(=O)C)O 1458a_100000211986_100009814007 [0,0,1,0,0,0|3,0,0]=4 205 B17R1.6732 CSc1ccc(c(c1)C(=O)CCNC(=O)C)Cl 1458a_100000212015_100000189650 [0,0,1,0,0,0|2,1,0]=4 206 B17R1.6732 CSc1ccc(c(c1)C(=O)CCNC(=O)C)F 1458a_200012183283_100000189650 [0,0,1,0,0,0|2,1,0]=4 207 B19R3.1571191 COc1cc2c(c[nH]c2cn1)SC3CC(=O)C3 62a_100009894365_200010163580 [0,0,0,1,0,0|3,0,0]=4 208 B19R3.1571191 COc1ccc2[nH]cc(c2n1)SC3CC(=O)C3 62a_100009894365_100010199035 [0,0,0,1,0,0|3,0,0]=4 209 B19R3.1571191 COc1ccc2[nH]nc(c2c1)SC3CC(=O)C3 62a_100009894365_100012353730 [0,0,0,1,0,0|3,0,0]=4 210 B19R3.1571191 COc1cnc2[nH]cc(c2c1)SC3CC(=O)C3 62a_100009894365_100010199036 [0,0,0,1,0,0|3,0,0]=4 211 B19R3.1571192 COc1ccc2[nH]cc(c2c1)CCOC3CC3 34a_200011933912_100000211595 [0,0,0,1,0,0|2,0,1]=4 212 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748629_100010199036 [0,0,0,0,1,0|3,0,0]=4 213 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748629_200010163580 [0,0,0,0,1,0|3,0,0]=4 214 B17R2.73242 C=C(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748629_100010199035 [0,0,0,0,1,0|3,0,0]=4 215 B17R2.73242 C=C(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748629_100012353730 [0,0,0,0,1,0|3,0,0]=4 216 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(=O)N 62a_100000747473_200010163580 [0,0,0,0,1,0|3,0,0]=4 217 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(=O)[O-] 62a_100020667443_200010163580 [0,0,0,0,1,0|3,0,0]=4 218 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,0,0,0,1,0|0,0,0]=1 219 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,0,0,0,1,0|0,0,0]=1 220 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [0,0,0,0,1,0|0,0,0]=1 221 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [0,0,0,0,1,0|0,0,0]=1 222 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [0,0,0,0,1,0|0,0,0]=1 223 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010199035 [0,0,0,0,1,0|3,0,0]=4 224 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010199035 [0,0,0,0,1,0|3,0,0]=4 225 B17R2.73242 COc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000084273 [0,0,0,0,1,0|2,0,1]=4 226 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100012353730 [0,0,0,0,1,0|3,0,0]=4 227 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100012353730 [0,0,0,0,1,0|3,0,0]=4 228 B17R2.73242 COc1ccc2c(c1)C(=NNC(=O)C)CC2 4a_100000189765_100000751120 [0,0,0,0,1,0|2,0,1]=4 229 B17R2.73242 COc1ccc2c(c1)C(=NNC(=O)C)CO2 4a_100000189765_100000759016 [0,0,0,0,1,0|2,0,1]=4 230 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010199036 [0,0,0,0,1,0|3,0,0]=4 231 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010199036 [0,0,0,0,1,0|3,0,0]=4 232 B19R2.26602 COc1ccc2c(c1)CN(CC2)CCNC(=O)C 2230a_100015207042_100000189650 [0,0,0,0,0,1|2,0,1]=4 233 B19R2.26602 COc1ccc2c(c1)CN(CC2)CCNC(=O)C 269982a_100015207042_100000189650 [0,0,0,0,0,1|2,0,1]=4 234 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(=O)C 7a_100000179802_100000053229 [0,0,0,0,0,1|3,0,0]=4 235 B19R2.26602 COc1ccc2ccc(cc2c1)OCOC(=O)C 34a_100000179802_100009813279 [0,0,0,0,0,1|3,0,0]=4 236 B19R2.26602 COc1ccc2ccc(cc2c1)SCCC(=O)C 62a_100000053229_100010090027 [0,0,0,0,0,1|3,0,0]=4 237 B19R2.26602 COc1ccc2ccc(cc2c1)SCOC(=O)C 62a_100000076356_100010090027 [0,0,0,0,0,1|3,0,0]=4 238 B19R2.26602 COc1ccc2ccc(nc2c1)SCCC(=O)C 62a_100000053229_100009877240 [0,0,0,0,0,1|3,0,0]=4 239 B19R2.26602 COc1ccc2ccc(nc2c1)SCOC(=O)C 62a_100000076356_100009877240 [0,0,0,0,0,1|3,0,0]=4 240 B19R2.26602 COc1ccc2ncc(cc2c1)SCCC(=O)C 62a_100000053229_100000700671 [0,0,0,0,0,1|2,0,1]=4 241 B19R2.26602 COc1ccc2ncc(cc2c1)SCOC(=O)C 62a_100000076356_100000700671 [0,0,0,0,0,1|2,0,1]=4 242 B19R2.26602 COc1ccc2ncc(nc2c1)SCCC(=O)C 62a_100000053229_100009882714 [0,0,0,0,0,1|2,0,1]=4 243 B19R2.26602 COc1ccc2ncc(nc2c1)SCOC(=O)C 62a_100000076356_100009882714 [0,0,0,0,0,1|2,0,1]=4 244 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 11a_100015190247_100015343762 [0,0,0,0,0,1|1,0,0]=2 245 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 1626a_100015190247_100015343762 [0,0,0,0,0,1|1,0,0]=2 246 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 240690a_100015190247_100015343762 [0,0,0,0,0,1|1,0,0]=2 247 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 527a_100015190247_100103153847 [0,0,0,0,0,1|1,0,0]=2 248 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(C)C 2230a_100015190247_100000210206 [0,0,0,0,0,1|2,0,1]=4 249 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(C)C 34a_100015190247_100000210206 [0,0,0,0,0,1|2,0,1]=4 250 B19R2.27143 COc1ccc2cccc(c2c1)NCOC(=O)C 34a_100000087654_100009813279 [0,0,0,0,0,1|3,0,0]=4 251 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(=O)C 7a_100000040783_100000053229 [0,0,0,0,0,1|3,0,0]=4 252 B19R2.27143 COc1ccc2cccc(c2c1)OCOC(=O)C 34a_100000040783_100009813279 [0,0,0,0,0,1|3,0,0]=4 253 B19R2.27143 COc1ccc2cccc(c2c1)SCCC(=O)C 62a_100000053229_100010178974 [0,0,0,0,0,1|3,0,0]=4 254 B19R2.27143 COc1ccc2cccc(c2c1)SCOC(=O)C 62a_100000076356_100010178974 [0,0,0,0,0,1|3,0,0]=4 255 B19R2.27143 COc1ccc2ccnc(c2c1)SCCC(=O)C 62a_100000053229_100012348807 [0,0,0,0,0,1|3,0,0]=4 256 B19R2.27143 COc1ccc2ccnc(c2c1)SCOC(=O)C 62a_100000076356_100012348807 [0,0,0,0,0,1|3,0,0]=4 257 B19R2.27143 COc1ccc2nccc(c2c1)C=NNC(=O)C 4a_100000189765_100000068177 [0,0,0,0,0,1|1,0,2]=4 258 B19R2.27143 COc1ccc2nccc(c2c1)OCOC(=O)C 34a_100000005308_100009813279 [0,0,0,0,0,1|2,0,1]=4 259 B19R2.27143 COc1ccc2nccc(c2c1)SCCC(=O)C 62a_100000053229_100011310462 [0,0,0,0,0,1|2,0,1]=4 260 B19R2.27143 COc1ccc2nccc(c2c1)SCOC(=O)C 62a_100000076356_100011310462 [0,0,0,0,0,1|2,0,1]=4 261 B19R2.27143 COc1ccc2ncnc(c2c1)SCCC(=O)C 62a_100000053229_100011804145 [0,0,0,0,0,1|2,0,1]=4 262 B19R2.27143 COc1ccc2ncnc(c2c1)SCOC(=O)C 62a_100000076356_100011804145 [0,0,0,0,0,1|2,0,1]=4 263 B19R2.195245 C=C(C)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000748629 [0,0,0,0,0,1|1,0,0]=2 264 B19R2.195245 C=C(C)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000748629 [0,0,0,0,0,1|2,0,0]=3 265 B19R2.195245 C=C(F)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100009893438 [0,0,0,0,0,1|1,0,1]=3 266 B19R2.195245 C=C(F)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100009893438 [0,0,0,0,0,1|2,0,1]=4 267 B19R2.195245 CC(=O)CCCCc1c[nH]c2c1cc(cc2)C#N 1458a_100000070787_100010209402 [0,0,0,0,0,1|3,0,0]=4 268 B19R2.195245 CC(=O)NCCSc1c[nH]c2c1cc(cn2)C=O 62a_100000189650_100010195497 [0,0,0,0,0,1|3,0,0]=4 269 B19R2.195245 CC(=O)NCCSc1n[nH]c2c1cc(cc2)C#N 62a_100000189650_200009888970 [0,0,0,0,0,1|3,0,0]=4 270 B19R2.195245 CC(=O)NCCSc1n[nH]c2c1cc(cc2)C=O 62a_100000189650_100009817145 [0,0,0,0,0,1|3,0,0]=4 271 B19R2.195245 COc1cc2c(c[nH]c2cn1)C=CCOC(=O)C 271570a_200000047263_200010163580 [0,0,0,0,0,1|2,0,1]=4 272 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCC=C(C)C 62a_100011217483_200010163580 [0,0,0,0,0,1|3,0,0]=4 273 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCCC(=O)C 62a_100011215641_200010163580 [0,0,0,0,0,1|2,0,0]=3 274 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCCC(=O)N 62a_100102525003_200010163580 [0,0,0,0,0,1|3,0,0]=4 275 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCNC(=O)C 62a_100000189650_200010163580 [0,0,0,0,0,1|1,0,0]=2 276 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCNC(=O)N 62a_200000034859_200010163580 [0,0,0,0,0,1|2,0,0]=3 277 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCOC(=O)C 62a_100009814007_200010163580 [0,0,0,0,0,1|2,0,0]=3 278 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCOC(=O)N 62a_200011214921_200010163580 [0,0,0,0,0,1|3,0,0]=4 279 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(=O)N 2230a_100000755253_100000747473 [0,0,0,0,0,1|1,0,0]=2 280 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)C 2230a_100000755253_100000210760 [0,0,0,0,0,1|1,0,1]=3 281 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)C 270004a_100000755253_100000210432 [0,0,0,0,0,1|1,0,1]=3 282 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)O 2230a_100000755253_100011218427 [0,0,0,0,0,1|0,0,2]=3 283 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(F)F 2230a_100000755253_100011934356 [0,0,0,0,0,1|2,0,1]=4 284 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)O 2230a_100000755253_100009817552 [0,0,0,0,0,1|0,0,2]=3 285 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(=O)N 34a_200011933912_100000187820 [0,0,0,0,0,1|2,0,0]=3 286 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(=O)[O-] 34a_200011933912_100020667443 [0,0,0,0,0,1|2,0,0]=3 287 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(C)C 34a_200011933912_100000210624 [0,0,0,0,0,1|2,0,1]=4 288 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(C)O 34a_200011933912_100011218427 [0,0,0,0,0,1|1,0,2]=4 289 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOC[C@@H](C)O 34a_200011933912_100009817552 [0,0,0,0,0,1|1,0,2]=4 290 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOC[N+](=O)[O-] 34a_200011933912_100000761209 [0,0,0,0,0,1|3,0,0]=4 291 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCC=C(C)C 270004a_100000718196_100000748866 [0,0,0,0,0,1|2,0,0]=3 292 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCC(C)C 270004a_100000210545_100000748866 [0,0,0,0,0,1|2,0,1]=4 293 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCC(C)O 270004a_200000755665_100000748866 [0,0,0,0,0,1|1,0,2]=4 294 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCN(C)C 270004a_100000210585_100000748866 [0,0,0,0,0,1|3,0,0]=4 295 B19R2.195245 COc1ccc2[nH]cc(c2n1)C=CCOC(=O)C 271570a_200000047263_100010199035 [0,0,0,0,0,1|2,0,1]=4 296 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCC=C(C)C 62a_100011217483_100010199035 [0,0,0,0,0,1|3,0,0]=4 297 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCCC(=O)C 62a_100011215641_100010199035 [0,0,0,0,0,1|2,0,0]=3 298 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCCC(=O)N 62a_100102525003_100010199035 [0,0,0,0,0,1|3,0,0]=4 299 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCNC(=O)C 62a_100000189650_100010199035 [0,0,0,0,0,1|1,0,0]=2 300 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCNC(=O)N 62a_200000034859_100010199035 [0,0,0,0,0,1|2,0,0]=3 301 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCOC(=O)C 62a_100009814007_100010199035 [0,0,0,0,0,1|2,0,0]=3 302 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCOC(=O)N 62a_200011214921_100010199035 [0,0,0,0,0,1|3,0,0]=4 303 B19R2.195245 COc1ccc2[nH]nc(c2c1)C=CCOC(=O)C 271570a_200000047263_100012353730 [0,0,0,0,0,1|2,0,1]=4 304 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCC=C(C)C 270004a_100000718196_100000084273 [0,0,0,0,0,1|3,0,0]=4 305 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCC(=O)N 207a_100000740010_100000084273 [0,0,0,0,0,1|3,0,0]=4 306 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCC=C(C)C 62a_100011217483_100012353730 [0,0,0,0,0,1|3,0,0]=4 307 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCCC(=O)C 62a_100011215641_100012353730 [0,0,0,0,0,1|2,0,0]=3 308 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCCC(=O)N 62a_100102525003_100012353730 [0,0,0,0,0,1|3,0,0]=4 309 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCNC(=O)C 62a_100000189650_100012353730 [0,0,0,0,0,1|1,0,0]=2 310 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCNC(=O)N 62a_200000034859_100012353730 [0,0,0,0,0,1|2,0,0]=3 311 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCOC(=O)C 62a_100009814007_100012353730 [0,0,0,0,0,1|2,0,0]=3 312 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCOC(=O)N 62a_200011214921_100012353730 [0,0,0,0,0,1|3,0,0]=4 313 B19R2.195245 COc1ccc2[nH]nc(c2n1)SCCCC(=O)C 62a_100011215641_200010246295 [0,0,0,0,0,1|3,0,0]=4 314 B19R2.195245 COc1ccc2[nH]nc(c2n1)SCCNC(=O)C 62a_100000189650_200010246295 [0,0,0,0,0,1|2,0,0]=3 315 B19R2.195245 COc1ccc2[nH]nc(c2n1)SCCNC(=O)N 62a_200000034859_200010246295 [0,0,0,0,0,1|3,0,0]=4 316 B19R2.195245 COc1ccc2[nH]nc(c2n1)SCCOC(=O)C 62a_100009814007_200010246295 [0,0,0,0,0,1|3,0,0]=4 317 B19R2.195245 COc1ccc2c(c1)C(CC2)NCCNC(=O)C 269862a_100000209853_100000751120 [0,0,0,0,0,1|1,0,2]=4 318 B19R2.195245 COc1ccc2c(c1)C(CC2)OCCNC(=O)C 7a_200011467848_100000189650 [0,0,0,0,0,1|1,0,2]=4 319 B19R2.195245 COc1ccc2c(c1)[C@H](CC2)NCCNC(=O)C 2230a_100009817776_100000189650 [0,0,0,0,0,1|1,0,2]=4 320 B19R2.195245 COc1ccn2ncc(c2n1)SCCNC(=O)C 62a_100000189650_200010893797 [0,0,0,0,0,1|2,0,1]=4 321 B19R2.195245 COc1cnc2[nH]cc(c2c1)C=CCOC(=O)C 271570a_200000047263_100010199036 [0,0,0,0,0,1|2,0,1]=4 322 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCC=C(C)C 62a_100011217483_100010199036 [0,0,0,0,0,1|3,0,0]=4 323 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCCC(=O)C 62a_100011215641_100010199036 [0,0,0,0,0,1|2,0,0]=3 324 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCCC(=O)N 62a_100102525003_100010199036 [0,0,0,0,0,1|3,0,0]=4 325 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCNC(=O)C 62a_100000189650_100010199036 [0,0,0,0,0,1|1,0,0]=2 326 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCNC(=O)N 62a_200000034859_100010199036 [0,0,0,0,0,1|2,0,0]=3 327 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCOC(=O)C 62a_100009814007_100010199036 [0,0,0,0,0,1|2,0,0]=3 328 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCOC(=O)N 62a_200011214921_100010199036 [0,0,0,0,0,1|3,0,0]=4 329 B16R1.19729 CCc1cccc(c1)C(=O)CCNC(=O)C 1458a_100011933908_100000189650 [1,0,1,0,0,0|2,0,0]=4 330 B16R1.19729 COc1cccc(c1)C(=O)CCCC(=O)C 1458a_100000188888_100011215641 [1,0,1,0,0,0|2,0,0]=4 331 B16R1.19729 COc1cccc(c1)C(=O)CCNC(=O)C 1458a_100000188888_100000189650 [1,0,1,0,0,0|1,0,0]=3 332 B16R1.19729 COc1cccc(c1)C(=O)CCNC(=O)N 1458a_100000188888_200000034859 [1,0,1,0,0,0|2,0,0]=4 333 B16R1.19729 COc1cccc(c1)C(=O)CCOC(=O)C 1458a_100000188888_100009814007 [1,0,1,0,0,0|2,0,0]=4 334 B16R1.19729 COc1cccc(c1)N(C)CCNC(=O)C 2230a_100000219725_100000189650 [1,0,1,0,0,0|1,0,1]=4 335 B16R1.19729 COc1cccc(c1)N(C)CCNC(=O)C 269982a_100000219725_100000189650 [1,0,1,0,0,0|1,0,1]=4 336 B16R1.19729 CSc1cccc(c1)C(=O)CCNC(=O)C 1458a_100011217804_100000189650 [1,0,1,0,0,0|1,1,0]=4 337 B16R1.4318 CC(=O)NCCSc1cc(ccc1NN)C 62a_100000189650_100016996181 [1,0,1,0,0,0|2,0,0]=4 338 B16R1.4318 CC(=O)NCCSc1cc(ccc1NN)C 62a_100016996181_100000189650 [1,0,1,0,0,0|2,0,0]=4 339 B16R1.4318 CNc1ccc(cc1SCCNC(=O)C)C 62a_100000189650_100000221369 [1,0,1,0,0,0|1,0,1]=4 340 B16R1.4318 CNc1ccc(cc1SCCNC(=O)C)C 62a_100000221369_100000189650 [1,0,1,0,0,0|1,0,1]=4 341 B16R1.20241 CCc1ccc(c(c1)OCCNC(=O)C)N 7a_100000124328_100000189650 [1,0,1,0,0,0|2,0,0]=4 342 B16R1.20241 CCc1ccc(c(c1)SCCNC(=O)C)N 62a_100000189650_100012339725 [1,0,1,0,0,0|2,0,0]=4 343 B16R1.20241 CCc1ccc(c(c1)SCCNC(=O)C)N 62a_100012339725_100000189650 [1,0,1,0,0,0|2,0,0]=4 344 B16R1.20241 COc1ccc(c(c1)C=CCOC(=O)C)N 271570a_200000047263_100015195136 [1,0,1,0,0,0|1,0,1]=4 345 B16R1.20241 COc1ccc(c(c1)NCCNC(=O)C)C 2230a_100000760359_100000189650 [1,0,1,0,0,0|1,0,1]=4 346 B16R1.20241 COc1ccc(c(c1)OCCCC(=O)C)N 34a_100016989039_100000685027 [1,0,1,0,0,0|2,0,0]=4 347 B16R1.20241 COc1ccc(c(c1)OCCCC(=O)C)N 7a_100016989039_100011215641 [1,0,1,0,0,0|2,0,0]=4 348 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)Br 7a_100000719091_100000189650 [1,0,1,0,0,0|2,0,0]=4 349 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)C 7a_100012179981_100000189650 [1,0,1,0,0,0|1,0,1]=4 350 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)Cl 7a_100011516019_100000189650 [1,0,1,0,0,0|2,0,0]=4 351 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)F 7a_100012178750_100000189650 [1,0,1,0,0,0|2,0,0]=4 352 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)I 7a_100010168831_100000189650 [1,0,1,0,0,0|2,0,0]=4 353 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)C)N 7a_100016989039_100000189650 [1,0,1,0,0,0|1,0,0]=3 354 B16R1.20241 COc1ccc(c(c1)OCCNC(=O)N)N 7a_100016989039_200000034859 [1,0,1,0,0,0|2,0,0]=4 355 B16R1.20241 COc1ccc(c(c1)OCCOC(=O)C)N 34a_100016989039_100009814007 [1,0,1,0,0,0|2,0,0]=4 356 B16R1.20241 COc1ccc(c(c1)OCCOC(=O)C)N 7a_100016989039_100009814007 [1,0,1,0,0,0|2,0,0]=4 357 B16R1.20241 COc1ccc(c(c1)SCCCC(=O)C)N 62a_100011215641_100015195136 [1,0,1,0,0,0|2,0,0]=4 358 B16R1.20241 COc1ccc(c(c1)SCCCC(=O)C)N 62a_100015195136_100011215641 [1,0,1,0,0,0|2,0,0]=4 359 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)Br 62a_100000189650_100009992028 [1,0,1,0,0,0|2,0,0]=4 360 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)Br 62a_100009992028_100000189650 [1,0,1,0,0,0|2,0,0]=4 361 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)C 62a_100000189650_100012349166 [1,0,1,0,0,0|1,0,1]=4 362 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)C 62a_100012349166_100000189650 [1,0,1,0,0,0|1,0,1]=4 363 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)Cl 62a_100000189650_100011356938 [1,0,1,0,0,0|2,0,0]=4 364 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)Cl 62a_100011356938_100000189650 [1,0,1,0,0,0|2,0,0]=4 365 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)F 62a_100000189650_100000699733 [1,0,1,0,0,0|2,0,0]=4 366 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)F 62a_100000699733_100000189650 [1,0,1,0,0,0|2,0,0]=4 367 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)N 62a_100000189650_100015195136 [1,0,1,0,0,0|1,0,0]=3 368 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)N 62a_100015195136_100000189650 [1,0,1,0,0,0|1,0,0]=3 369 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)C)O 62a_100000189650_100000685887 [1,0,1,0,0,0|2,0,0]=4 370 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)N)N 62a_100015195136_200000034859 [1,0,1,0,0,0|2,0,0]=4 371 B16R1.20241 COc1ccc(c(c1)SCCNC(=O)N)N 62a_200000034859_100015195136 [1,0,1,0,0,0|2,0,0]=4 372 B16R1.20241 COc1ccc(c(c1)SCCOC(=O)C)N 62a_100009814007_100015195136 [1,0,1,0,0,0|2,0,0]=4 373 B16R1.20241 COc1ccc(c(c1)SCCOC(=O)C)N 62a_100015195136_100009814007 [1,0,1,0,0,0|2,0,0]=4 374 B16R1.20241 COc1ccc(c(n1)SCCNC(=O)C)N 62a_100000069805_100000189650 [1,0,1,0,0,0|2,0,0]=4 375 B16R1.20241 COc1ccc(c(n1)SCCNC(=O)C)N 62a_100000189650_100000069805 [1,0,1,0,0,0|2,0,0]=4 376 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000189650 [1,0,1,0,0,0|2,0,0]=4 377 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000189650 [1,0,1,0,0,0|2,0,0]=4 378 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000189650 [1,0,1,0,0,0|2,0,0]=4 379 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000189650 [1,0,1,0,0,0|2,0,0]=4 380 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000189650 [1,0,1,0,0,0|2,0,0]=4 381 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000189650 [1,0,1,0,0,0|2,0,0]=4 382 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000189650 [1,0,1,0,0,0|2,0,0]=4 383 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000189650 [1,0,1,0,0,0|2,0,0]=4 384 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000189650 [1,0,1,0,0,0|2,0,0]=4 385 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000189650 [1,0,1,0,0,0|2,0,0]=4 386 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000189650 [1,0,1,0,0,0|2,0,0]=4 387 B16R1.7492 CC(=O)NCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000189650 [1,0,1,0,0,0|2,0,0]=4 388 B16R2.36 CC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200000210301 [2,0,0,0,0,0|1,0,0]=3 389 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100015343762 [2,0,0,0,0,0|0,0,0]=2 390 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100103153847 [2,0,0,0,0,0|0,0,0]=2 391 B16R2.36 CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100015343762 [2,0,0,0,0,0|1,0,0]=3 392 B16R2.36 CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100015343762 [2,0,0,0,0,0|1,0,0]=3 393 B16R2.36 CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100015343762 [2,0,0,0,0,0|1,0,0]=3 394 B16R2.36 CC(=O)NCCc1coc2c1cccc2 527a_100011934666_100103153847 [2,0,0,0,0,0|1,0,0]=3 395 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 11a_100000746447_100015343762 [2,0,0,0,0,0|1,0,1]=4 396 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 1626a_100000746447_100015343762 [2,0,0,0,0,0|1,0,1]=4 397 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 240690a_100000746447_100015343762 [2,0,0,0,0,0|1,0,1]=4 398 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 527a_100000746447_100103153847 [2,0,0,0,0,0|1,0,1]=4 399 B16R2.36 CC(=O)NN=Cc1c[nH]c2c1cccc2 4a_100000189765_100000182151 [2,0,0,0,0,0|1,0,1]=4 400 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210206 [2,0,0,0,0,0|1,0,1]=4 401 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100138425928_100011218569 [2,0,0,0,0,0|1,0,1]=4 402 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 34a_100138425928_100011218569 [2,0,0,0,0,0|1,0,1]=4 403 B16R2.36 [13CH3]C(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200025704644 [2,0,0,0,0,0|1,0,0]=3 404 B16R2.205493 CCNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000210202 [2,0,0,0,0,0|1,0,1]=4 405 B16R2.205493 CCNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100000210202 [2,0,0,0,0,0|0,0,1]=3 406 B16R2.205493 CCNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000210202 [2,0,0,0,0,0|1,0,1]=4 407 B16R2.205493 CCNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000210202 [2,0,0,0,0,0|1,0,1]=4 408 B16R2.163638 CCCCc1c[nH]c2c1cc(cn2)OC 271570a_100020621405_100010199036 [2,0,0,0,0,0|1,0,1]=4 409 B16R2.163638 CCCCc1c[nH]c2c1cc(nc2)OC 271570a_100020621405_200010163580 [2,0,0,0,0,0|1,0,1]=4 410 B16R2.163638 CCCCc1c[nH]c2c1nc(cc2)OC 271570a_100020621405_100010199035 [2,0,0,0,0,0|1,0,1]=4 411 B16R2.163638 CCCCc1n[nH]c2c1cc(cc2)OC 271570a_100020621405_100012353730 [2,0,0,0,0,0|1,0,1]=4 412 B16R2.163638 CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015525214_100000748866 [2,0,0,0,0,0|0,0,1]=3 413 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 207a_100015525214_100000084273 [2,0,0,0,0,0|1,0,1]=4 414 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 270004a_100015525214_100000084273 [2,0,0,0,0,0|1,0,1]=4 415 B16R2.163638 CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_200000210301 [2,0,0,0,0,0|0,0,0]=2 416 B16R2.163638 COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000210301 [2,0,0,0,0,0|1,0,0]=3 417 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCC=O 62a_200015260668_200010163580 [2,0,0,0,0,0|2,0,0]=4 418 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000755253_200025704644 [2,0,0,0,0,0|0,0,0]=2 419 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCO[13CH3] 34a_200011933912_200025704644 [2,0,0,0,0,0|1,0,0]=3 420 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010199035 [2,0,0,0,0,0|2,0,0]=4 421 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100012353730 [2,0,0,0,0,0|2,0,0]=4 422 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010199036 [2,0,0,0,0,0|2,0,0]=4 423 B18R1.179 CCc1ccc(cc1)NC(=O)CCCNC(=O)C 11a_100000211069_100000194741 [0,1,1,0,0,0|1,0,1]=4 424 B18R1.179 CCc1ccc(cc1)NC(=O)CCCNC(=O)C 1626a_100000211069_100000194741 [0,1,1,0,0,0|1,0,1]=4 425 B18R1.179 CCc1ccc(cc1)NC(=O)CCCNC(=O)C 22a_100000211069_100000194741 [0,1,1,0,0,0|1,0,1]=4 426 B18R1.179 CCc1ccc(cc1)NC(=O)CCCNC(=O)C 527a_100000211069_100000194741 [0,1,1,0,0,0|1,0,1]=4 427 B18R1.179 CCc1ccc(cc1)NC(=O)NCCNC(=O)C 2430a_100000211069_100000209853 [0,1,1,0,0,0|2,0,0]=4 428 B18R1.179 COc1ccc(cc1)CC(=O)NCCNC(=O)C 240690a_100000209853_100000210706 [0,1,1,0,0,0|2,0,0]=4 429 B18R1.179 COc1ccc(cc1)CC(=O)NCCNC(=O)C 527a_100000209853_100000210706 [0,1,1,0,0,0|2,0,0]=4 430 B18R1.179 COc1ccc(cc1)NC(=O)CCCNC(=O)C 11a_100000184247_100000194741 [0,1,1,0,0,0|0,0,1]=3 431 B18R1.179 COc1ccc(cc1)NC(=O)CCCNC(=O)C 1626a_100000184247_100000194741 [0,1,1,0,0,0|0,0,1]=3 432 B18R1.179 COc1ccc(cc1)NC(=O)CCCNC(=O)C 22a_100000184247_100000194741 [0,1,1,0,0,0|0,0,1]=3 433 B18R1.179 COc1ccc(cc1)NC(=O)CCCNC(=O)C 527a_100000184247_100000194741 [0,1,1,0,0,0|0,0,1]=3 434 B18R1.179 COc1ccc(cc1)NC(=O)NCCNC(=O)C 2430a_100000184247_100000209853 [0,1,1,0,0,0|1,0,0]=3 435 B18R1.179 COc1ccc(cc1)NC(=O)NCCNC(=O)N 2430a_100000184247_100020590234 [0,1,1,0,0,0|2,0,0]=4 436 B18R1.179 COc1ccc(cc1)NC(=O)NCCOC(=O)C 2430a_100000184247_100000724843 [0,1,1,0,0,0|2,0,0]=4 437 B18R1.179 COc1ccc(cc1)NC(=O)NCCSC(=O)C 2430a_100000184247_100020647217 [0,1,1,0,0,0|2,0,0]=4 438 B18R1.179 CSc1ccc(cc1)NC(=O)CCCNC(=O)C 11a_100000212337_100000194741 [0,1,1,0,0,0|0,1,1]=4 439 B18R1.179 CSc1ccc(cc1)NC(=O)CCCNC(=O)C 22a_100000212337_100000194741 [0,1,1,0,0,0|0,1,1]=4 440 B18R1.179 CSc1ccc(cc1)NC(=O)CCCNC(=O)C 527a_100000212337_100000194741 [0,1,1,0,0,0|0,1,1]=4 441 B18R1.179 CSc1ccc(cc1)NC(=O)NCCNC(=O)C 2430a_100000212337_100000209853 [0,1,1,0,0,0|1,1,0]=4 442 B18R1.189 COC(=O)CCCC=NNc1ccc(cc1)OC 4a_100000005221_100000094087 [0,1,1,0,0,0|2,0,0]=4 443 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCNC(=O)C 1458a_100000187855_100000189650 [0,1,1,0,0,0|2,0,0]=4 444 B18R1.219 CCc1ccc(cc1)NNC(=O)CCNC(=O)C 22a_100015204395_100000183196 [0,1,1,0,0,0|2,0,0]=4 445 B18R1.219 COc1ccc(cc1)C#CC(=O)CCNC(=O)C 1458a_100000185621_100000189650 [0,1,1,0,0,0|1,0,1]=4 446 B18R1.219 COc1ccc(cc1)C=CC(=O)CCCC(=O)C 1458a_100000184205_100011215641 [0,1,1,0,0,0|2,0,0]=4 447 B18R1.219 COc1ccc(cc1)C=CC(=O)CCNC(=O)C 1458a_100000184205_100000189650 [0,1,1,0,0,0|1,0,0]=3 448 B18R1.219 COc1ccc(cc1)C=CC(=O)CCNC(=O)N 1458a_100000184205_200000034859 [0,1,1,0,0,0|2,0,0]=4 449 B18R1.219 COc1ccc(cc1)C=CC(=O)CCOC(=O)C 1458a_100000184205_100009814007 [0,1,1,0,0,0|2,0,0]=4 450 B18R1.219 COc1ccc(cc1)CCC(=O)CCNC(=O)C 1458a_100000183196_100000184700 [0,1,1,0,0,0|1,0,1]=4 451 B18R1.219 COc1ccc(cc1)CCC(=O)CCNC(=O)C 1458a_100000211712_100000189650 [0,1,1,0,0,0|1,0,1]=4 452 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C 11a_100000185587_100000183196 [0,1,1,0,0,0|2,0,0]=4 453 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C 1626a_100000185587_100000183196 [0,1,1,0,0,0|2,0,0]=4 454 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C 240690a_100000185587_100000183196 [0,1,1,0,0,0|2,0,0]=4 455 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C 527a_100000185587_100000183196 [0,1,1,0,0,0|2,0,0]=4 456 B18R1.219 COc1ccc(cc1)NNC(=O)CCNC(=O)C 22a_100000005221_100000183196 [0,1,1,0,0,0|1,0,0]=3 457 B18R1.219 COc1ccc(cc1)NNC(=O)CCNC(=O)N 22a_100000005221_100000181464 [0,1,1,0,0,0|2,0,0]=4 458 B18R1.219 COc1ccc(cc1)OCC(=O)CCNC(=O)C 1458a_100000186439_100000189650 [0,1,1,0,0,0|1,0,1]=4 459 B18R1.219 COc1ccc(cc1)SCC(=O)CCNC(=O)C 1458a_100000182033_100000189650 [0,1,1,0,0,0|1,0,1]=4 460 B18R1.219 COc1ccc(cn1)NNC(=O)CCNC(=O)C 22a_100102564821_100000183196 [0,1,1,0,0,0|2,0,0]=4 461 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCNC(=O)C 1458a_100102526083_100000189650 [0,1,1,0,0,0|1,1,0]=4 462 B18R1.219 CSc1ccc(cc1)NNC(=O)CCNC(=O)C 22a_100000006515_100000183196 [0,1,1,0,0,0|1,1,0]=4 463 B18R1.291586 COc1ccc(c(c1)C(=O)CCNC(=O)C)C#N 1458a_100011219403_100000189650 [0,1,1,0,0,0|2,0,0]=4 464 B18R1.291586 COc1ccc(c(c1)C(=O)CCNC(=O)C)OC 1458a_100000185243_100000189650 [0,1,1,0,0,0|1,0,1]=4 465 B18R1.23952 CCOc1ccc(c(c1)C(=O)CCNC(=O)C)O 1458a_200011255221_100000189650 [0,1,1,0,0,0|2,0,0]=4 466 B18R1.40046 COc1cc(c(cc1C)Br)C(=O)CCNC(=O)C 1458a_100010289115_100000189650 [0,1,1,0,0,0|2,0,0]=4 467 B18R1.40046 COc1cc(c(cc1F)Br)C(=O)CCNC(=O)C 1458a_100010174800_100000189650 [0,1,1,0,0,0|2,0,0]=4 468 B18R1.291722 COc1ccc(c(c1Br)C(=O)CCNC(=O)C)Br 1458a_200020932704_100000189650 [0,1,1,0,0,0|2,0,0]=4 469 B18R1.291722 COc1ccc(c(c1C)C(=O)CCNC(=O)C)Br 1458a_100010074600_100000189650 [0,1,1,0,0,0|2,0,0]=4 470 B18R1.291722 COc1ccc(c(c1Cl)C(=O)CCNC(=O)C)Cl 1458a_200010760820_100000189650 [0,1,1,0,0,0|2,0,0]=4 471 B18R1.291722 COc1ccc(c(c1Cl)C(=O)CCNC(=O)C)F 1458a_100000062076_100000189650 [0,1,1,0,0,0|2,0,0]=4 472 B18R1.291722 COc1ccc(c(c1F)C(=O)CCNC(=O)C)Br 1458a_100010204293_100000189650 [0,1,1,0,0,0|2,0,0]=4 473 B18R1.291722 COc1ccc(c(c1F)C(=O)CCNC(=O)C)Cl 1458a_100000062078_100000189650 [0,1,1,0,0,0|2,0,0]=4 474 B18R1.291722 COc1ccc(c(c1F)C(=O)CCNC(=O)C)F 1458a_100000062053_100000189650 [0,1,1,0,0,0|2,0,0]=4 475 B18R2.40892 CS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)Br 40a_100016990496_100000738038 [1,1,0,0,0,0|2,0,0]=4 476 B18R2.40892 CS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)Cl 40a_100000763428_100000738038 [1,1,0,0,0,0|2,0,0]=4 477 B18R2.40892 CS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)F 40a_100000725365_100000738038 [1,1,0,0,0,0|2,0,0]=4 478 B18R2.40892 CS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)O 40a_100000009091_100000738038 [1,1,0,0,0,0|1,0,0]=3 479 B18R2.40892 Cc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)C 40a_100000008874_100000738038 [1,1,0,0,0,0|1,0,0]=3 480 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 11a_100000076026_100015343762 [1,1,0,0,0,0|0,0,0]=2 481 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 240690a_100000076026_100015343762 [1,1,0,0,0,0|0,0,0]=2 482 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 527a_100000076026_100103153847 [1,1,0,0,0,0|0,0,0]=2 483 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 11a_100015200695_100015343762 [1,1,0,0,0,0|1,0,0]=3 484 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 240690a_100015200695_100015343762 [1,1,0,0,0,0|1,0,0]=3 485 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 527a_100015200695_100103153847 [1,1,0,0,0,0|1,0,0]=3 486 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_200121576911 [1,1,0,0,0,0|1,0,1]=4 487 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_200121576911 [1,1,0,0,0,0|0,0,1]=3 488 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_200121576911 [1,1,0,0,0,0|1,0,1]=4 489 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_200121576911 [1,1,0,0,0,0|1,0,1]=4 490 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_200121576911 [1,1,0,0,0,0|0,0,1]=3 491 B18R2.746213 CCC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_100000210202 [1,1,0,0,0,0|2,0,0]=4 492 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100000210414 [1,1,0,0,0,0|1,0,0]=3 493 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100000210414 [1,1,0,0,0,0|1,0,0]=3 494 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100000210414 [1,1,0,0,0,0|0,0,0]=2 495 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100000210414 [1,1,0,0,0,0|0,0,0]=2 496 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100000210414 [1,1,0,0,0,0|0,0,0]=2 497 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100000210414 [1,1,0,0,0,0|1,0,0]=3 498 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100000210414 [1,1,0,0,0,0|1,0,0]=3 499 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100000210414 [1,1,0,0,0,0|1,0,0]=3 500 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100000210414 [1,1,0,0,0,0|1,0,0]=3 501 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100000210414 [1,1,0,0,0,0|1,0,0]=3 502 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100000210414 [1,1,0,0,0,0|1,0,0]=3 503 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100000210414 [1,1,0,0,0,0|0,0,0]=2 504 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100000210414 [1,1,0,0,0,0|0,0,0]=2 505 B18R2.746213 CCC(=O)NCCc1csc2c1cc(cc2)Br 11a_100016989105_100000210414 [1,1,0,0,0,0|2,0,0]=4 506 B18R2.746213 CCC(=O)NCCc1csc2c1cc(cc2)Br 1626a_100016989105_100000210414 [1,1,0,0,0,0|2,0,0]=4 507 B18R2.746213 CCC(=O)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100000210414 [1,1,0,0,0,0|2,0,0]=4 508 B18R2.746213 CCC(=O)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100000210414 [1,1,0,0,0,0|2,0,0]=4 509 B18R2.746213 CCC(=O)NN=Cc1c[nH]c2c1cc(cc2)C 4a_100000183195_100000757390 [1,1,0,0,0,0|1,0,1]=4 510 B18R2.746213 CCC(=O)NN=Cc1c[nH]c2c1cc(cc2)O 4a_100000183195_100000059740 [1,1,0,0,0,0|1,0,1]=4 511 B18R2.746213 CCC(C)NCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100000758301 [1,1,0,0,0,0|1,0,1]=4 512 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 11a_106832991635_100000067597 [1,1,0,0,0,0|2,0,0]=4 513 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 240690a_100102657272_100000067597 [1,1,0,0,0,0|2,0,0]=4 514 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 527a_100102657272_100000067597 [1,1,0,0,0,0|2,0,0]=4 515 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 2708a_100016990496_106832991635 [1,1,0,0,0,0|1,0,0]=3 516 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 2708a_100102657272_100016990496 [1,1,0,0,0,0|1,0,0]=3 517 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 273464a_100016990496_100102657272 [1,1,0,0,0,0|1,0,0]=3 518 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 273464a_100102657272_100016990496 [1,1,0,0,0,0|1,0,0]=3 519 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 512a_100016990496_100102657272 [1,1,0,0,0,0|1,0,0]=3 520 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 512a_106832991638_100016990496 [1,1,0,0,0,0|1,0,0]=3 521 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 2708a_100000008874_106832991635 [1,1,0,0,0,0|0,0,0]=2 522 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 2708a_100102657272_100000008874 [1,1,0,0,0,0|0,0,0]=2 523 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 273464a_100000008874_100102657272 [1,1,0,0,0,0|0,0,0]=2 524 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 273464a_100102657272_100000008874 [1,1,0,0,0,0|0,0,0]=2 525 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 512a_106832991638_100000008874 [1,1,0,0,0,0|0,0,0]=2 526 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 2708a_100000763428_106832991635 [1,1,0,0,0,0|1,0,0]=3 527 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 2708a_100102657272_100000763428 [1,1,0,0,0,0|1,0,0]=3 528 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 273464a_100102657272_100000763428 [1,1,0,0,0,0|1,0,0]=3 529 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 512a_106832991638_100000763428 [1,1,0,0,0,0|1,0,0]=3 530 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 2708a_100000725365_106832991635 [1,1,0,0,0,0|1,0,0]=3 531 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 2708a_100102657272_100000725365 [1,1,0,0,0,0|1,0,0]=3 532 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 273464a_100000725365_100102657272 [1,1,0,0,0,0|1,0,0]=3 533 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 273464a_100102657272_100000725365 [1,1,0,0,0,0|1,0,0]=3 534 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 512a_100000725365_100102657272 [1,1,0,0,0,0|1,0,0]=3 535 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 512a_106832991638_100000725365 [1,1,0,0,0,0|1,0,0]=3 536 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 2708a_100000009091_106832991635 [1,1,0,0,0,0|0,0,0]=2 537 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 2708a_100102657272_100000009091 [1,1,0,0,0,0|0,0,0]=2 538 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 273464a_100000009091_100102657272 [1,1,0,0,0,0|0,0,0]=2 539 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 273464a_100102657272_100000009091 [1,1,0,0,0,0|0,0,0]=2 540 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 512a_100000009091_100102657272 [1,1,0,0,0,0|0,0,0]=2 541 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 512a_106832991638_100000009091 [1,1,0,0,0,0|0,0,0]=2 542 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 2708a_100016989105_106832991635 [1,1,0,0,0,0|2,0,0]=4 543 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 2708a_100102657272_100016989105 [1,1,0,0,0,0|2,0,0]=4 544 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 273464a_100016989105_100102657272 [1,1,0,0,0,0|2,0,0]=4 545 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 273464a_100102657272_100016989105 [1,1,0,0,0,0|2,0,0]=4 546 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 512a_100016989105_100102657272 [1,1,0,0,0,0|2,0,0]=4 547 B18R2.746213 CNC(=O)NCCc1csc2c1cc(cc2)Br 512a_106832991638_100016989105 [1,1,0,0,0,0|2,0,0]=4 548 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO 240690a_100000008874_100000210174 [1,1,0,0,0,0|0,0,0]=2 549 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO 527a_100000008874_100000210174 [1,1,0,0,0,0|0,0,0]=2 550 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(C)C#N 2230a_100000008874_100000184139 [1,1,0,0,0,0|1,0,1]=4 551 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(C)CO 2230a_100000008874_100012180447 [1,1,0,0,0,0|0,0,2]=4 552 B18R2.746213 O=C(CF)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_100015361967 [1,1,0,0,0,0|2,0,0]=4 553 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100000210174 [1,1,0,0,0,0|1,0,0]=3 554 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100000210174 [1,1,0,0,0,0|1,0,0]=3 555 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100000210174 [1,1,0,0,0,0|1,0,0]=3 556 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100000210174 [1,1,0,0,0,0|1,0,0]=3 557 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100000210174 [1,1,0,0,0,0|1,0,0]=3 558 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100000210174 [1,1,0,0,0,0|1,0,0]=3 559 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100000210174 [1,1,0,0,0,0|0,0,0]=2 560 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100000210174 [1,1,0,0,0,0|0,0,0]=2 561 B18R2.746213 O=C(CO)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100000210174 [1,1,0,0,0,0|2,0,0]=4 562 B18R2.746213 O=C(CO)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100000210174 [1,1,0,0,0,0|2,0,0]=4 563 B18R2.120972 CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210202 [1,1,0,0,0,0|1,0,1]=4 564 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_106832991635_100010000191 [1,1,0,0,0,0|2,0,0]=4 565 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100010000191 [1,1,0,0,0,0|2,0,0]=4 566 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100010000191 [1,1,0,0,0,0|2,0,0]=4 567 B18R2.1439637 COc1ccc2c(c1)c(cn2C)COCC=O 34a_100000077082_200009817547 [1,1,0,0,0,0|2,0,0]=4 568 B18R2.2201742 CCNC(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100015525214_100000739362 [1,1,0,0,0,0|0,0,2]=4 569 B18R2.2201742 CCNC(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100015525214_100000739362 [1,1,0,0,0,0|0,0,2]=4 570 B18R2.2201742 CNNC(=O)Cc1c[nH]c2c1cc(cc2)OC 22a_100016993582_100000739362 [1,1,0,0,0,0|1,0,1]=4 571 B18R2.2989075 C#CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000038162 [1,1,0,0,0,0|0,0,2]=4 572 B18R2.2989075 C=CCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015191253_100000748866 [1,1,0,0,0,0|1,0,1]=4 573 B18R2.2989075 C=CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000210623 [1,1,0,0,0,0|0,0,1]=3 574 B18R2.2989075 C=CCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100015514636 [1,1,0,0,0,0|1,0,1]=4 575 B18R2.2989075 CCCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100000102301_100000748866 [1,1,0,0,0,0|1,0,1]=4 576 B18R2.2989075 CCCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000210303 [1,1,0,0,0,0|0,0,1]=3 577 B18R2.2989075 CCCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000210303 [1,1,0,0,0,0|1,0,1]=4 578 B18R2.2989075 COCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100000209980_100000748866 [1,1,0,0,0,0|2,0,0]=4 579 B18R2.2989075 COCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000766300 [1,1,0,0,0,0|0,0,1]=3 580 B18R2.2989075 COc1cc2c(c[nH]c2cn1)SCCCC=O 62a_200011292268_200010163580 [1,1,0,0,0,0|2,0,0]=4 581 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCNCC#N 2230a_100000755253_100011215382 [1,1,0,0,0,0|0,0,2]=4 582 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCNCC=O 2230a_100000755253_200015260668 [1,1,0,0,0,0|0,0,0]=2 583 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCNCCF 2230a_100000755253_100011217306 [1,1,0,0,0,0|0,0,1]=3 584 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCNCCO 2230a_100000755253_100000211926 [1,1,0,0,0,0|0,0,1]=3 585 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCNCSC 2230a_100000755253_100011218213 [1,1,0,0,0,0|0,0,1]=3 586 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCOCC=O 34a_200011933912_200009817547 [1,1,0,0,0,0|1,0,0]=3 587 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCOCCF 34a_200011933912_100011217306 [1,1,0,0,0,0|1,0,1]=4 588 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCOCCO 34a_200011933912_100000211926 [1,1,0,0,0,0|1,0,1]=4 589 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CCOCSC 34a_200011933912_100011218213 [1,1,0,0,0,0|1,0,1]=4 590 B18R2.2989075 COc1ccc2[nH]cc(c2c1)CNCCSC 270004a_100020590264_100000748866 [1,1,0,0,0,0|2,0,0]=4 591 B18R2.2989075 COc1ccc2[nH]cc(c2n1)SCCCC=O 62a_200011292268_100010199035 [1,1,0,0,0,0|2,0,0]=4 592 B18R2.2989075 COc1ccc2[nH]nc(c2c1)SCCCC=O 62a_200011292268_100012353730 [1,1,0,0,0,0|2,0,0]=4 593 B18R2.2989075 COc1cnc2[nH]cc(c2c1)SCCCC=O 62a_200011292268_100010199036 [1,1,0,0,0,0|2,0,0]=4 594 B18R2.120970 COc1cc2c(c[nH]c2cn1)SC(C)C(=O)C 62a_100009814033_200010163580 [0,1,0,0,1,0|2,0,0]=4 595 B18R2.120970 COc1ccc2[nH]cc(c2c1)CN(C)C(C)C 270004a_200000211004_100000748866 [0,1,0,0,1,0|1,0,1]=4 596 B18R2.120970 COc1ccc2[nH]cc(c2n1)SC(C)C(=O)C 62a_100009814033_100010199035 [0,1,0,0,1,0|2,0,0]=4 597 B18R2.120970 COc1ccc2[nH]nc(c2c1)SC(C)C(=O)C 62a_100009814033_100012353730 [0,1,0,0,1,0|2,0,0]=4 598 B18R2.120970 COc1cnc2[nH]cc(c2c1)SC(C)C(=O)C 62a_100009814033_100010199036 [0,1,0,0,1,0|2,0,0]=4 599 B18R2.173884 CCc1ccc2c(c1)C(=NNC(=O)C)C(=O)N2 4a_100000189765_100000188461 [0,1,0,0,1,0|2,0,0]=4 600 B18R2.173884 COc1ccc2c(c1)C(=NNC(=O)C)C(=O)N2 4a_100000189765_100000183588 [0,1,0,0,1,0|1,0,0]=3 601 B18R2.867030 COc1ccc2[nH]cc(c2c1)CNS(=O)(=O)C 40a_100000084035_100000738038 [0,1,0,0,1,0|1,0,0]=3 602 B20R2.1647326 COc1ccc2[nH]c(=O)c(cc2c1)C=NNC(=O)C 4a_100000189765_100000015449 [0,1,0,0,0,1|1,0,1]=4 603 B20R2.39565 COc1ccc2cccc(c2c1)CCNS(=O)(=O)C 40a_100015190247_100000738038 [0,1,0,0,0,1|2,0,0]=4 604 B20R2.2369323 C=CC(=O)NCCc1cccc2c1cc(cc2)OC 1626a_100015190247_100000185746 [0,1,0,0,0,1|1,0,1]=4 605 B20R2.2369323 C=CC(=O)NCCc1cccc2c1cc(cc2)OC 240690a_100015190247_200121576911 [0,1,0,0,0,1|1,0,1]=4 606 B20R2.2369323 CCC(=O)NCCc1cccc2c1cc(cc2)OC 11a_100015190247_100000210414 [0,1,0,0,0,1|1,0,0]=3 607 B20R2.2369323 CCC(=O)NCCc1cccc2c1cc(cc2)OC 1626a_100015190247_100000210414 [0,1,0,0,0,1|1,0,0]=3 608 B20R2.2369323 CCC(=O)NCCc1cccc2c1cc(cc2)OC 240690a_100015190247_100000210414 [0,1,0,0,0,1|1,0,0]=3 609 B20R2.2369323 CCC(=O)NCCc1cccc2c1cc(cc2)OC 527a_100015190247_100000210414 [0,1,0,0,0,1|1,0,0]=3 610 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 2708a_100015190247_106832991635 [0,1,0,0,0,1|1,0,0]=3 611 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 2708a_100102657272_100015190247 [0,1,0,0,0,1|1,0,0]=3 612 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 273464a_100015190247_100102657272 [0,1,0,0,0,1|1,0,0]=3 613 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 273464a_100102657272_100015190247 [0,1,0,0,0,1|1,0,0]=3 614 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 512a_100015190247_100102657272 [0,1,0,0,0,1|1,0,0]=3 615 B20R2.2369323 CNC(=O)NCCc1cccc2c1cc(cc2)OC 512a_106832991638_100015190247 [0,1,0,0,0,1|1,0,0]=3 616 B20R2.2369323 COc1ccc2cccc(c2c1)CCNC(=O)CO 240690a_100015190247_100000210174 [0,1,0,0,0,1|1,0,0]=3 617 B20R2.2369323 COc1ccc2cccc(c2c1)CCNC(=O)CO 527a_100015190247_100000210174 [0,1,0,0,0,1|1,0,0]=3 618 B20R2.103895 CCOc1ccc2[nH]cc(c2c1)CNCC=C(C)C 270004a_100000718196_100102524904 [0,1,0,0,0,1|2,0,0]=4 619 B20R2.308495 C=C(C#N)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000694840 [0,1,0,0,0,1|1,0,1]=4 620 B20R2.308495 CCC(C)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000748023 [0,1,0,0,0,1|1,0,1]=4 621 B20R2.308495 CCC(C)CNCCc1c[nH]c2c1cc(cc2)OC 270004a_100000755253_100000243153 [0,1,0,0,0,1|1,0,1]=4 622 B20R2.308495 CCC(O)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100011218378 [0,1,0,0,0,1|0,0,2]=4 623 B20R2.308495 CC[C@H](C)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100009816398 [0,1,0,0,0,1|1,0,1]=4 624 B20R2.308495 CNC(=O)CCCSc1c[nH]c2c1cc(cn2)OC 62a_100000741757_100010199036 [0,1,0,0,0,1|2,0,0]=4 625 B20R2.308495 CNC(=O)CCCSc1c[nH]c2c1cc(nc2)OC 62a_100000741757_200010163580 [0,1,0,0,0,1|2,0,0]=4 626 B20R2.308495 CNC(=O)CCCSc1c[nH]c2c1nc(cc2)OC 62a_100000741757_100010199035 [0,1,0,0,0,1|2,0,0]=4 627 B20R2.308495 CNC(=O)CCCSc1n[nH]c2c1cc(cc2)OC 62a_100000741757_100012353730 [0,1,0,0,0,1|2,0,0]=4 628 B20R2.308495 CNC(=O)CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100000738227_100000748866 [0,1,0,0,0,1|1,0,0]=3 629 B20R2.308495 CNC(=O)CCNCc1n[nH]c2c1cc(cc2)OC 207a_100000738227_100000084273 [0,1,0,0,0,1|2,0,0]=4 630 B20R2.308495 CNC(=O)CCNCc1n[nH]c2c1cc(cc2)OC 270004a_100000738227_100000084273 [0,1,0,0,0,1|2,0,0]=4 631 B20R2.308495 CNC(=O)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000183359 [0,1,0,0,0,1|0,0,0]=2 632 B20R2.308495 CNC(=O)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000183359 [0,1,0,0,0,1|1,0,0]=3 633 B20R2.308495 CNC(=O)OCCSc1c[nH]c2c1cc(cn2)OC 62a_200011997002_100010199036 [0,1,0,0,0,1|2,0,0]=4 634 B20R2.308495 CNC(=O)OCCSc1c[nH]c2c1cc(nc2)OC 62a_200011997002_200010163580 [0,1,0,0,0,1|2,0,0]=4 635 B20R2.308495 CNC(=O)OCCSc1c[nH]c2c1nc(cc2)OC 62a_200011997002_100010199035 [0,1,0,0,0,1|2,0,0]=4 636 B20R2.308495 CNC(=O)OCCSc1n[nH]c2c1cc(cc2)OC 62a_200011997002_100012353730 [0,1,0,0,0,1|2,0,0]=4 637 B20R2.308495 COC(=O)CCCSc1c[nH]c2c1cc(cn2)OC 62a_100011218270_100010199036 [0,1,0,0,0,1|2,0,0]=4 638 B20R2.308495 COC(=O)CCCSc1c[nH]c2c1cc(nc2)OC 62a_100011218270_200010163580 [0,1,0,0,0,1|2,0,0]=4 639 B20R2.308495 COC(=O)CCCSc1c[nH]c2c1nc(cc2)OC 62a_100011218270_100010199035 [0,1,0,0,0,1|2,0,0]=4 640 B20R2.308495 COC(=O)CCCSc1n[nH]c2c1cc(cc2)OC 62a_100011218270_100012353730 [0,1,0,0,0,1|2,0,0]=4 641 B20R2.308495 COC(=O)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000747449 [0,1,0,0,0,1|0,0,0]=2 642 B20R2.308495 COC(=O)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000747449 [0,1,0,0,0,1|1,0,0]=3 643 B20R2.308495 COc1ccc2[nH]cc(c2c1)CCNCC(O)CO 2230a_100000755253_100011219619 [0,1,0,0,0,1|0,0,2]=4 644 B20R2.308495 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)CO 2230a_100000755253_100000059175 [0,1,0,0,0,1|0,0,2]=4 645 B20R2.308495 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](O)CF 2230a_100000755253_100015614560 [0,1,0,0,0,1|0,0,2]=4 646 B20R2.308495 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](O)CO 2230a_100000755253_100009815848 [0,1,0,0,0,1|0,0,2]=4 647 B20R2.308496 C=C(C)CCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000730704 [0,1,0,0,0,1|2,0,0]=4 648 B20R2.308496 C=C(C)CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100000765925_100000739362 [0,1,0,0,0,1|1,0,1]=4 649 B20R2.308496 C=C(C)CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100000765925_100000739362 [0,1,0,0,0,1|1,0,1]=4 650 B20R2.308496 CCc1ccc2[nH]cc(c2c1)CC(=O)NNC(=O)C 22a_100000189765_100000049097 [0,1,0,0,0,1|1,0,1]=4 651 B20R2.308496 COc1ccc2[nH]cc(c2c1)CC(=O)CC=C(C)C 1458a_100000739362_100000761012 [0,1,0,0,0,1|2,0,0]=4 652 B20R2.308496 COc1ccc2[nH]cc(c2c1)CC(=O)NCC(=O)N 240690a_100000711301_100000739362 [0,1,0,0,0,1|1,0,1]=4 653 B20R2.308496 COc1ccc2[nH]cc(c2c1)CC(=O)NCC(=O)N 527a_100000711301_100000739362 [0,1,0,0,0,1|1,0,1]=4 654 B20R2.308496 COc1ccc2[nH]cc(c2c1)CC(=O)NNC(=O)C 22a_100000189765_100000739362 [0,1,0,0,0,1|0,0,1]=3 655 B20R2.308496 COc1ccc2[nH]cc(c2c1)CN(C)CCC(=O)N 270004a_100000730477_100000748866 [0,1,0,0,0,1|2,0,0]=4 656 B20R2.308497 C=C(C)C(C)NCCc1c[nH]c2c1cc(cc2)OC 269862a_100000755253_100011216138 [0,1,0,0,0,1|1,0,0]=3 657 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(=O)N 240690a_100000755253_100011215815 [0,1,0,0,0,1|1,0,0]=3 658 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)C 240690a_100000755253_100000210198 [0,1,0,0,0,1|1,0,1]=4 659 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)C 527a_100000755253_100000210198 [0,1,0,0,0,1|1,0,1]=4 660 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)F 240690a_100000755253_100000062450 [0,1,0,0,0,1|1,0,1]=4 661 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)F 527a_100000755253_100000062450 [0,1,0,0,0,1|1,0,1]=4 662 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)N(C)C 2708a_100000755253_100102631434 [0,1,0,0,0,1|2,0,0]=4 663 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)[C@@H](C)O 240690a_100000755253_100000717761 [0,1,0,0,0,1|0,0,2]=4 664 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)[C@H](C)O 240690a_100000755253_217856618621 [0,1,0,0,0,1|0,0,2]=4 665 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(C)C(=O)C 2230a_100000755253_100009814033 [0,1,0,0,0,1|0,0,0]=2 666 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(C)C(=O)N 2230a_100000755253_100000702099 [0,1,0,0,0,1|1,0,0]=3 667 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(F)C(=O)N 2230a_100000755253_100009813875 [0,1,0,0,0,1|1,0,0]=3 668 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCOC(C)C(=O)N 34a_200011933912_100000702099 [0,1,0,0,0,1|2,0,0]=4 669 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCOC(F)C(=O)N 34a_200011933912_100009813875 [0,1,0,0,0,1|2,0,0]=4 670 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCOC(F)C(=O)[O-] 34a_200011933912_100020610796 [0,1,0,0,0,1|2,0,0]=4 671 B20R2.1754171 C=C(C)CCOCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000730704 [0,1,0,0,0,1|2,0,0]=4 672 B20R2.1754171 COc1ccc2c(c1)c(cn2C)COCC=C(C)C 34a_100000077082_100000761012 [0,1,0,0,0,1|2,0,0]=4 673 B20R2.1754171 COc1ccc2c(c1)c(cn2C)COCCC(=O)N 34a_100000077082_100000731001 [0,1,0,0,0,1|2,0,0]=4 674 B20R2.1754171 COc1ccc2c(c1)c(cn2C)COCOC(=O)C 34a_100000077082_100009813279 [0,1,0,0,0,1|1,0,0]=3 675 B20R2.1754171 COc1ccc2c(c1)c(nn2C)SCCCC(=O)C 62a_100011215641_100010988832 [0,1,0,0,0,1|2,0,0]=4 676 B20R2.1754171 COc1ccc2c(c1)c(nn2C)SCCNC(=O)C 62a_100000189650_100010988832 [0,1,0,0,0,1|1,0,0]=3 677 B20R2.1754171 COc1ccc2c(c1)c(nn2C)SCCNC(=O)N 62a_200000034859_100010988832 [0,1,0,0,0,1|2,0,0]=4 678 B20R2.1754171 COc1ccc2c(c1)c(nn2C)SCCOC(=O)C 62a_100009814007_100010988832 [0,1,0,0,0,1|2,0,0]=4 679 B20R2.1942793 C=C(C)CC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000748629 [0,1,0,0,0,1|2,0,0]=4 680 B20R2.1942793 COc1ccc2[nH]cc(c2c1)CCC(=O)CC(=O)N 1458a_100010000191_100000187820 [0,1,0,0,0,1|2,0,0]=4 681 B20R2.1942793 COc1ccc2[nH]cc(c2c1)CCC(=O)CC(=O)[O-] 1458a_100010000191_100020667443 [0,1,0,0,0,1|2,0,0]=4 682 B20R2.1942793 COc1ccc2[nH]cc(c2c1)CCC(=O)NC(C)C 11a_100138425928_100010000191 [0,1,0,0,0,1|1,0,1]=4 683 B20R2.1942793 COc1ccc2[nH]cc(c2c1)CCC(=O)NC(C)C 240690a_100138425928_100010000191 [0,1,0,0,0,1|1,0,1]=4 684 B20R2.1942793 COc1ccc2[nH]cc(c2c1)CCC(=O)NC(C)C 527a_100138425928_100010000191 [0,1,0,0,0,1|1,0,1]=4 685 B20R2.1942883 COc1cc2c(c[nH]c2cn1)SCCNS(=O)(=O)C 62a_100000754112_200010163580 [0,1,0,0,0,1|2,0,0]=4 686 B20R2.1942883 COc1ccc2[nH]cc(c2c1)CCNCC(C)(C)C 270004a_100000755253_100011204126 [0,1,0,0,0,1|1,0,1]=4 687 B20R2.1942883 COc1ccc2[nH]cc(c2c1)CCNC[Si](C)(C)C 2230a_100000755253_100000037933 [0,1,0,0,0,1|1,1,0]=4 688 B20R2.1942883 COc1ccc2[nH]cc(c2c1)CNCCS(=O)(=O)C 270004a_100000740961_100000748866 [0,1,0,0,0,1|2,0,0]=4 689 B20R2.1942883 COc1ccc2[nH]cc(c2n1)SCCNS(=O)(=O)C 62a_100000754112_100010199035 [0,1,0,0,0,1|2,0,0]=4 690 B20R2.1942883 COc1ccc2[nH]nc(c2c1)SCCNS(=O)(=O)C 62a_100000754112_100012353730 [0,1,0,0,0,1|2,0,0]=4 691 B20R2.1942883 COc1cnc2[nH]cc(c2c1)SCCNS(=O)(=O)C 62a_100000754112_100010199036 [0,1,0,0,0,1|2,0,0]=4 692 B20R2.214710 C#CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100000184674 [0,2,0,0,0,0|0,0,0]=2 693 B20R2.214710 C#CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100000038162 [0,2,0,0,0,0|0,0,0]=2 694 B20R2.214710 C=CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100015514636 [0,2,0,0,0,0|0,0,0]=2 695 B20R2.214710 C=CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100015514636 [0,2,0,0,0,0|0,0,0]=2 696 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCC#N 7a_100000038029_100011215382 [0,2,0,0,0,0|0,0,0]=2 697 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCC=O 34a_100000038029_200009817547 [0,2,0,0,0,0|0,0,0]=2 698 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCC=O 7a_100000038029_200015260668 [0,2,0,0,0,0|0,0,0]=2 699 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCCF 34a_100000038029_100011217306 [0,2,0,0,0,0|0,0,0]=2 700 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCCF 7a_100000038029_100011217306 [0,2,0,0,0,0|0,0,0]=2 701 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCCO 34a_100000038029_100000211926 [0,2,0,0,0,0|0,0,0]=2 702 B20R2.214710 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCCO 7a_100000038029_100000211926 [0,2,0,0,0,0|0,0,0]=2 703 B20R2.214710 CCCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100000210303 [0,2,0,0,0,0|0,0,0]=2 704 B20R2.214710 CCCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100000210303 [0,2,0,0,0,0|0,0,0]=2 705 B20R2.214710 CSCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100011218213 [0,2,0,0,0,0|0,0,0]=2 706 B20R2.1313109 COC(=O)c1ccc2[nH]cc(c2c1)C=NNC(=O)C 4a_100000189765_100000064332 [0,2,0,0,0,0|1,0,1]=4 707 B20R2.1313109 COC(=O)c1ccc2[nH]cc(c2c1)CCNC(=O)C 188690a_100025709803_100015343762 [0,2,0,0,0,0|0,0,0]=2 708 B20R2.1313109 COC(=O)c1ccc2[nH]cc(c2c1)SCCC(=O)C 62a_100000053229_100010163954 [0,2,0,0,0,0|2,0,0]=4 709 B20R2.1313109 COC(=O)c1ccc2[nH]cc(c2c1)SCOC(=O)C 62a_100000076356_100010163954 [0,2,0,0,0,0|2,0,0]=4 710 B20R2.3007892 CCOc1ccc2[nH]cc(c2c1)C=NNC(=O)CC 4a_100000183195_100102524904 [0,2,0,0,0,0|1,0,1]=4 711 B20R2.3007892 CCOc1ccc2[nH]cc(c2c1)CNCC(=O)NC 270004a_100000693194_100102524904 [0,2,0,0,0,0|2,0,0]=4 712 B20R2.14086719 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC(C)C 34a_100000038029_100000210206 [0,2,0,0,0,0|0,0,0]=2 713 B20R2.14086719 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC(C)C 7a_100000038029_100000210206 [0,2,0,0,0,0|0,0,0]=2 714 B20R2.1942118 CCS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OC 270084a_100000755253_100000211323 [0,2,0,0,0,0|1,0,0]=3 715 B20R2.1942118 CCS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OC 274078a_100000755253_100000211323 [0,2,0,0,0,0|1,0,0]=3 716 B20R2.1942118 CCS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OC 40a_100000755253_100000053943 [0,2,0,0,0,0|1,0,0]=3 717 B20R2.1942118 COc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)CCl 270084a_100000755253_100000031410 [0,2,0,0,0,0|1,0,0]=3 718 B20R2.1942118 COc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)CCl 274078a_100000755253_100000031410 [0,2,0,0,0,0|1,0,0]=3 719 B20R2.1942890 COc1ccc2[nH]cc(c2c1)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000739362 [0,2,0,0,0,0|1,0,1]=4 720 B20R2.2361755 CCC(=O)NN=Cc1c([nH]c2c1cc(cc2)OC)C 4a_100000183195_100011998116 [0,2,0,0,0,0|1,0,1]=4 721 B20R2.15163827 CCC(=O)NN=Cc1cn(c2c1cc(cc2)OC)C 4a_100000183195_100000012615 [0,2,0,0,0,0|1,0,1]=4 722 B20R2.15163827 CNC(=O)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000183359 [0,2,0,0,0,0|2,0,0]=4 723 B20R2.15163827 COC(=O)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000747449 [0,2,0,0,0,0|2,0,0]=4 724 B20R2.1942885 CNC(=O)C(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100011218921 [0,2,0,0,0,0|2,0,0]=4 725 B20R2.1942885 CNC(=O)C(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100011218921 [0,2,0,0,0,0|2,0,0]=4 726 B20R2.1942885 COC(=O)C(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000024059 [0,2,0,0,0,0|2,0,0]=4 727 B20R2.1942885 COC(=O)C(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000024059 [0,2,0,0,0,0|2,0,0]=4 728 B20R2.1942885 COC(=O)C(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000024059 [0,2,0,0,0,0|2,0,0]=4 729 B20R2.1942891 CCC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000747405 [0,2,0,0,0,0|1,0,1]=4 730 B20R2.1942891 CNC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000183359 [0,2,0,0,0,0|1,0,1]=4 731 B20R2.1942891 CNC(=O)CN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000189611_100000748866 [0,2,0,0,0,0|2,0,0]=4 732 B20R2.1942891 COC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000747449 [0,2,0,0,0,0|1,0,1]=4 733 B20R2.1942891 COC(=O)CN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000198492_100000748866 [0,2,0,0,0,0|2,0,0]=4 734 B20R2.1942915 CCC(CC)NCCc1c[nH]c2c1cc(cc2)OC 270004a_100000755253_100000210860 [0,2,0,0,0,0|1,0,1]=4 735 B20R2.1942915 COc1ccc2[nH]cc(c2c1)CCNC(C=O)C=O 2230a_100000755253_100000736813 [0,2,0,0,0,0|0,0,2]=4 736 B20R2.3923228 C#CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100011220946 [0,2,0,0,0,0|0,0,0]=2 737 B20R2.3923228 C=CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210193 [0,2,0,0,0,0|0,0,0]=2 738 B20R2.3923228 C=CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000210193 [0,2,0,0,0,0|0,0,0]=2 739 B20R2.3923228 CC=CC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210699 [0,2,0,0,0,0|0,0,0]=2 740 B20R2.3923228 CCCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000211992 [0,2,0,0,0,0|0,0,0]=2 741 B20R2.3923228 CCCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000211992 [0,2,0,0,0,0|0,0,0]=2 742 B20R2.3923228 CCCC(=O)NN=Cc1c[nH]c2c1cc(cc2)OC 4a_100000189770_100000748866 [0,2,0,0,0,0|1,0,1]=4 743 B20R2.3923228 CCCC(C)NCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000766640 [0,2,0,0,0,0|1,0,1]=4 744 B20R2.3923228 CCCC(C)NCCc1c[nH]c2c1cc(cc2)OC 270004a_100000755253_100000211909 [0,2,0,0,0,0|1,0,1]=4 745 B20R2.3923228 CCNC(=O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100016988866_100000748866 [0,2,0,0,0,0|2,0,0]=4 746 B20R2.3923228 CCNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100000755253_100015525214 [0,2,0,0,0,0|0,0,0]=2 747 B20R2.3923228 CCNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100015525214_100000755253 [0,2,0,0,0,0|0,0,0]=2 748 B20R2.3923228 CCNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 273464a_100015525214_100000755253 [0,2,0,0,0,0|0,0,0]=2 749 B20R2.3923228 CCNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100000755253_100015525214 [0,2,0,0,0,0|0,0,0]=2 750 B20R2.3923228 CCNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100015525214_100000755253 [0,2,0,0,0,0|0,0,0]=2 751 B20R2.3923228 CNNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100000755253_100016993582 [0,2,0,0,0,0|0,0,0]=2 752 B20R2.3923228 CNNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100016993582_100000755253 [0,2,0,0,0,0|0,0,0]=2 753 B20R2.3923228 COCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210968 [0,2,0,0,0,0|0,0,0]=2 754 B20R2.3923228 COCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000210968 [0,2,0,0,0,0|0,0,0]=2 755 B20R2.3923228 COCC(=O)NN=Cc1c[nH]c2c1cc(cc2)OC 4a_100000216845_100000748866 [0,2,0,0,0,0|1,0,1]=4 756 B20R2.3923228 COCC(C)NCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000765312 [0,2,0,0,0,0|0,0,2]=4 757 B20R2.3923228 COCC(C)NCCc1c[nH]c2c1cc(cc2)OC 270004a_100000755253_100000749346 [0,2,0,0,0,0|0,0,2]=4 758 B20R2.3923228 COc1ccc2[nH]cc(c2c1)C=NNC(=O)CC#N 4a_100000210509_100000748866 [0,2,0,0,0,0|1,0,1]=4 759 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)C=CBr 240690a_100000755253_100016273825 [0,2,0,0,0,0|0,0,1]=3 760 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)C=CCl 240690a_100000755253_200016279998 [0,2,0,0,0,0|0,0,1]=3 761 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CC#N 240690a_100000755253_100051588842 [0,2,0,0,0,0|0,0,0]=2 762 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CCO 240690a_100000755253_100011216618 [0,2,0,0,0,0|0,0,0]=2 763 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CSC 240690a_100000755253_100000184570 [0,2,0,0,0,0|0,0,0]=2 764 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CSC 527a_100000755253_100000184570 [0,2,0,0,0,0|0,0,0]=2 765 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(C)CC#N 2230a_100000755253_100009813641 [0,2,0,0,0,0|1,0,1]=4 766 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(C)CCO 2230a_100000755253_100009893172 [0,2,0,0,0,0|0,0,2]=4 767 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(C)CSC 270004a_100000755253_100011216314 [0,2,0,0,0,0|0,1,1]=4 768 B20R2.1942886 COc1ccc2[nH]cc(c2c1)CC(=O)C(C)C(=O)C 1458a_100000739362_100000179758 [0,2,0,0,0,0|1,0,1]=4 769 B18R2.60 CCc1ccc(cc1)NN=C2CCNC(=O)C2 4a_100015204395_100011999401 [0,0,1,1,0,0|2,0,0]=4 770 B18R2.60 COc1ccc(cc1)NN=C2CCNC(=O)C2 4a_100000005221_100011999401 [0,0,1,1,0,0|1,0,0]=3 771 B18R2.60 COc1ccc(cn1)NN=C2CCNC(=O)C2 4a_100102564821_100011999401 [0,0,1,1,0,0|2,0,0]=4 772 B18R2.60 CSc1ccc(cc1)NN=C2CCNC(=O)C2 4a_100000006515_100011999401 [0,0,1,1,0,0|1,1,0]=4 773 B18R2.2944 CCc1cccc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000684523 [0,0,1,1,0,0|2,0,0]=4 774 B18R2.2944 CNc1cccc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000219648 [0,0,1,1,0,0|2,0,0]=4 775 B18R2.2944 COc1cc(ccn1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000117307 [0,0,1,1,0,0|2,0,0]=4 776 B18R2.2944 COc1cccc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000170001 [0,0,1,1,0,0|1,0,0]=3 777 B18R2.2944 COc1cccc(n1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000760917 [0,0,1,1,0,0|2,0,0]=4 778 B18R2.2944 COc1ccnc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100011216251 [0,0,1,1,0,0|2,0,0]=4 779 B18R2.2944 COc1cncc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100000684773 [0,0,1,1,0,0|2,0,0]=4 780 B18R2.2944 CSc1cccc(c1)C2=CCN(CC2)C(=O)C 271570a_100010156486_100011215954 [0,0,1,1,0,0|1,1,0]=4 781 B18R2.105316 COc1cccc2c1[nH]cc2C=NNC(=O)C 4a_100000189765_100000079578 [0,0,1,1,0,0|1,0,1]=4 782 B18R2.3178 COc1ccc(c(c1)c2cnn(c2)C(=O)C)N 271570a_100010199679_100015195136 [0,0,1,1,0,0|1,0,1]=4 783 B18R2.3178 COc1ccc(c(c1)c2cnn(c2)C(=O)C)N 271570a_100010713012_100010205889 [0,0,1,1,0,0|1,0,1]=4 784 B18R3.1397905 CSc1ccc2[nH]c3c(c2c1)CCCC3=O 62a_200000210301_100000697556 [1,0,0,1,0,0|1,1,0]=4 785 B18R3.1397905 [13CH3]Sc1ccc2[nH]c3c(c2c1)CCCC3=O 62a_200025704644_100000697556 [1,0,0,1,0,0|1,1,0]=4 786 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 2230a_100015313494_200000210301 [0,0,0,1,1,0|2,0,0]=4 787 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 269982a_100015313494_200000210301 [0,0,0,1,1,0|2,0,0]=4 788 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 2230a_100015313494_200025704644 [0,0,0,1,1,0|2,0,0]=4 789 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 269982a_100015313494_200025704644 [0,0,0,1,1,0|2,0,0]=4 790 B20R3.42076 COc1ccc2ccc(nc2c1)N3CNC(=O)C3 27a_200000708111_100009877240 [0,0,0,1,0,1|2,0,0]=4 791 B20R3.42076 COc1ccc2ncc(nc2c1)N3CNC(=O)C3 27a_200000708111_100009882714 [0,0,0,1,0,1|1,0,1]=4 792 B20R3.43276 COc1ccc2ccnc(c2c1)N3CNC(=O)C3 27a_200000708111_100012348807 [0,0,0,1,0,1|2,0,0]=4 793 B20R3.43276 COc1ccc2nccc(c2c1)N3CNC(=O)C3 27a_200000708111_100011310462 [0,0,0,1,0,1|1,0,1]=4 794 B20R3.43276 COc1ccc2ncnc(c2c1)N3CNC(=O)C3 27a_200000708111_100011804145 [0,0,0,1,0,1|1,0,1]=4 795 B20R3.1632431 C=C1CC(C1)NCc2c[nH]c3c2cc(cc3)OC 270004a_100132301982_100000748866 [0,0,0,1,0,1|2,0,0]=4 796 B20R3.1632431 COc1cc2c(c[nH]c2cn1)SCC3CC(=O)C3 62a_100009874392_200010163580 [0,0,0,1,0,1|2,0,0]=4 797 B20R3.1632431 COc1ccc2[nH]cc(c2n1)SCC3CC(=O)C3 62a_100009874392_100010199035 [0,0,0,1,0,1|2,0,0]=4 798 B20R3.1632431 COc1ccc2[nH]nc(c2c1)SCC3CC(=O)C3 62a_100009874392_100012353730 [0,0,0,1,0,1|2,0,0]=4 799 B20R3.1632431 COc1cnc2[nH]cc(c2c1)SCC3CC(=O)C3 62a_100009874392_100010199036 [0,0,0,1,0,1|2,0,0]=4 800 B20R3.1632432 COc1ccc2[nH]cc(c2c1)CCNCC3CC3 2230a_100000755253_100000742324 [0,0,0,1,0,1|1,0,1]=4 801 B20R3.1632432 COc1ccc2[nH]cc(c2c1)CCNCC3CC3 269862a_100000755253_100000741477 [0,0,0,1,0,1|1,0,1]=4 802 B20R3.1632432 COc1ccc2[nH]cc(c2c1)CCNCC3CO3 2230a_100000755253_100011216344 [0,0,0,1,0,1|0,0,2]=4 803 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(=O)C 11a_100015313494_100015343762 [0,1,0,1,0,0|0,0,0]=2 804 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(=O)C 240690a_100015313494_100015343762 [0,1,0,1,0,0|0,0,0]=2 805 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(=O)C 527a_100015313494_100103153847 [0,1,0,1,0,0|0,0,0]=2 806 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(C)C 2230a_100015313494_100000210206 [0,1,0,1,0,0|1,0,1]=4 807 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(C)C 269982a_100015313494_100000210206 [0,1,0,1,0,0|1,0,1]=4 808 B20R3.1632421 COc1ccc2[nH]cc(c2c1)CCNC3CCC3 270004a_100000755253_100000241760 [0,1,0,1,0,0|1,0,1]=4 809 B16R1.2 COc1ccc(cc1)C=CC=NNC(=O)C 4a_100000189765_100016259823 [0,0,1,0,1,0|1,0,1]=4 810 B16R1.2 COc1ccc(cc1)CNCCNC(=O)C 207a_100000209853_100000169835 [0,0,1,0,1,0|1,0,1]=4 811 B16R1.2 COc1ccc(cc1)CNCCNC(=O)C 2230a_100000209853_100000742318 [0,0,1,0,1,0|1,0,1]=4 812 B16R1.2 COc1ccc(cc1)COCCNC(=O)C 34a_100000158858_100000742318 [0,0,1,0,1,0|1,0,1]=4 813 B16R1.2 COc1ccc(cc1)CSCCNC(=O)C 62a_100000189650_100000742318 [0,0,1,0,1,0|1,0,1]=4 814 B16R1.2 COc1ccc(cc1)NCCCCC(=O)C 34a_100000184247_100009817362 [0,0,1,0,1,0|0,0,2]=4 815 B16R1.2 COc1ccc(cc1)NCCCOC(=O)C 34a_100000184247_100000042594 [0,0,1,0,1,0|1,0,1]=4 816 B16R1.2 COc1ccc(cc1)NCCCSC(=O)C 34a_100000184247_100000038929 [0,0,1,0,1,0|1,0,1]=4 817 B16R1.2 COc1ccc(cc1)OCCCNC(=O)C 11a_100000744828_100015343762 [0,0,1,0,1,0|1,0,1]=4 818 B16R1.2 COc1ccc(cc1)OCCCNC(=O)C 1626a_100000744828_100015343762 [0,0,1,0,1,0|1,0,1]=4 819 B16R1.2 COc1ccc(cc1)OCCCNC(=O)C 240690a_100000744828_100015343762 [0,0,1,0,1,0|1,0,1]=4 820 B16R1.2 COc1ccc(cc1)OCCCNC(=O)C 527a_100000744828_100103153847 [0,0,1,0,1,0|1,0,1]=4 821 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [1,0,0,0,1,0|1,0,0]=3 822 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [1,0,0,0,1,0|1,0,0]=3 823 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,0,0,0,2,0|1,0,0]=3 824 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,0,0,0,2,0|1,0,0]=3 825 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,0,0,0,2,0|0,0,0]=2 826 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,0,0,0,2,0|0,0,0]=2 827 B16R2.42567 COc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100000748866 [0,0,0,0,2,0|2,0,0]=4 828 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200000210301 [0,0,0,0,2,0|1,1,0]=4 829 B16R2.42567 [13CH3]Sc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200025704644 [0,0,0,0,2,0|1,1,0]=4 830 B18R1.175 COc1ccc(cc1)CNCCCCNC(=O)C 207a_200011368371_100000169835 [0,0,1,0,0,1|0,0,2]=4 831 B18R1.175 COc1ccc(cc1)CNCCCCNC(=O)C 2230a_200011368371_100000742318 [0,0,1,0,0,1|0,0,2]=4 832 B18R1.175 COc1ccc(cc1)CNCCCCNC(=O)C 270004a_200011368371_100000169835 [0,0,1,0,0,1|0,0,2]=4 833 B18R1.175 COc1ccc(cc1)CNCCCCNC(=O)C 34a_200011368371_100000742318 [0,0,1,0,0,1|0,0,2]=4 834 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)Br 1458a_100000183196_100000761528 [0,0,1,0,0,1|2,0,0]=4 835 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)Br 1458a_100000690513_100000189650 [0,0,1,0,0,1|2,0,0]=4 836 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)Cl 1458a_100000183196_100000718613 [0,0,1,0,0,1|2,0,0]=4 837 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)Cl 1458a_100010217559_100000189650 [0,0,1,0,0,1|2,0,0]=4 838 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)F 1458a_100000183196_100010243555 [0,0,1,0,0,1|2,0,0]=4 839 B18R1.292220 COc1ccc(c(c1)CC(=O)CCNC(=O)C)F 1458a_100009868546_100000189650 [0,0,1,0,0,1|2,0,0]=4 840 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Br 11a_100000748603_100000183196 [0,0,1,0,0,1|2,0,0]=4 841 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Br 1626a_100000748603_100000183196 [0,0,1,0,0,1|2,0,0]=4 842 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Br 22a_100000748603_100000183196 [0,0,1,0,0,1|2,0,0]=4 843 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C 11a_100000760359_100000183196 [0,0,1,0,0,1|2,0,0]=4 844 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C 1626a_100000760359_100000183196 [0,0,1,0,0,1|2,0,0]=4 845 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C 22a_100000760359_100000183196 [0,0,1,0,0,1|2,0,0]=4 846 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C 527a_100000760359_100000183196 [0,0,1,0,0,1|2,0,0]=4 847 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Cl 11a_100000745576_100000183196 [0,0,1,0,0,1|2,0,0]=4 848 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Cl 1626a_100000745576_100000183196 [0,0,1,0,0,1|2,0,0]=4 849 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Cl 22a_100000745576_100000183196 [0,0,1,0,0,1|2,0,0]=4 850 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F 11a_100000764331_100000183196 [0,0,1,0,0,1|2,0,0]=4 851 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F 1626a_100000764331_100000183196 [0,0,1,0,0,1|2,0,0]=4 852 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F 22a_100000764331_100000183196 [0,0,1,0,0,1|2,0,0]=4 853 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F 527a_100000764331_100000183196 [0,0,1,0,0,1|2,0,0]=4 854 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)I 11a_100000748021_100000183196 [0,0,1,0,0,1|2,0,0]=4 855 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)I 1626a_100000748021_100000183196 [0,0,1,0,0,1|2,0,0]=4 856 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)I 22a_100000748021_100000183196 [0,0,1,0,0,1|2,0,0]=4 857 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)O 22a_100000188146_100000183196 [0,0,1,0,0,1|2,0,0]=4 858 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)O 527a_100000188146_100000183196 [0,0,1,0,0,1|2,0,0]=4 859 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Br 240690a_100000209853_100000211723 [0,0,1,0,0,1|2,0,0]=4 860 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Br 527a_100000209853_100000211723 [0,0,1,0,0,1|2,0,0]=4 861 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)C 240690a_100000209853_100011399813 [0,0,1,0,0,1|2,0,0]=4 862 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)C 527a_100000209853_100011399813 [0,0,1,0,0,1|2,0,0]=4 863 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Cl 240690a_100000209853_100000763818 [0,0,1,0,0,1|2,0,0]=4 864 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Cl 527a_100000209853_100000763818 [0,0,1,0,0,1|2,0,0]=4 865 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)F 240690a_100000209853_100011217016 [0,0,1,0,0,1|2,0,0]=4 866 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)F 527a_100000209853_100011217016 [0,0,1,0,0,1|2,0,0]=4 867 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)I 240690a_100000209853_100012339533 [0,0,1,0,0,1|2,0,0]=4 868 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)I 527a_100000209853_100012339533 [0,0,1,0,0,1|2,0,0]=4 869 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)O 240690a_100000209853_100000211986 [0,0,1,0,0,1|2,0,0]=4 870 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)O 527a_100000209853_100000211986 [0,0,1,0,0,1|2,0,0]=4 871 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000748629 [1,0,0,0,0,1|2,0,0]=4 872 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100000748629 [1,0,0,0,0,1|1,0,0]=3 873 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000748629 [1,0,0,0,0,1|2,0,0]=4 874 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000748629 [1,0,0,0,0,1|2,0,0]=4 875 B18R2.40893 C=C(F)CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100009893438 [1,0,0,0,0,1|1,0,1]=4 876 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)C 62a_100011215641_100010246215 [1,0,0,0,0,1|2,0,0]=4 877 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1nc(cc2)C 62a_100011215641_100010212567 [1,0,0,0,0,1|2,0,0]=4 878 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)C 62a_100011215641_100000123028 [1,0,0,0,0,1|2,0,0]=4 879 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl 240690a_100103152479_100015343762 [1,0,0,0,0,1|1,0,0]=3 880 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl 527a_100103152479_100103153847 [1,0,0,0,0,1|1,0,0]=3 881 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)Br 62a_100000189650_100011290788 [1,0,0,0,0,1|2,0,0]=4 882 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000189650 [1,0,0,0,0,1|2,0,0]=4 883 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)C 62a_100000189650_100010246215 [1,0,0,0,0,1|1,0,0]=3 884 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)Cl 62a_100000189650_100000050100 [1,0,0,0,0,1|2,0,0]=4 885 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)F 62a_100000189650_100010168383 [1,0,0,0,0,1|2,0,0]=4 886 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(cn2)N 62a_100000189650_100010168510 [1,0,0,0,0,1|2,0,0]=4 887 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1cc(nc2)Cl 62a_100000189650_100010168685 [1,0,0,0,0,1|2,0,0]=4 888 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1nc(cc2)Br 62a_100000189650_100010168532 [1,0,0,0,0,1|2,0,0]=4 889 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000189650 [1,0,0,0,0,1|2,0,0]=4 890 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1nc(cc2)C 62a_100000189650_100010212567 [1,0,0,0,0,1|1,0,0]=3 891 B18R2.40893 CC(=O)NCCSc1c[nH]c2c1nc(cc2)Cl 62a_100000189650_100010168529 [1,0,0,0,0,1|2,0,0]=4 892 B18R2.40893 CC(=O)NCCSc1cnc2n1cc(cc2)C 62a_100000189650_100012351729 [1,0,0,0,0,1|1,0,1]=4 893 B18R2.40893 CC(=O)NCCSc1csc2c1cc(cc2)N 62a_100000189650_100011178648 [1,0,0,0,0,1|2,0,0]=4 894 B18R2.40893 CC(=O)NCCSc1csc2c1cc(cc2)N 62a_100011178648_100000189650 [1,0,0,0,0,1|2,0,0]=4 895 B18R2.40893 CC(=O)NCCSc1n[nH]c2c1cc(cc2)Br 62a_100000189650_100010186058 [1,0,0,0,0,1|2,0,0]=4 896 B18R2.40893 CC(=O)NCCSc1n[nH]c2c1cc(cc2)C 62a_100000189650_100000123028 [1,0,0,0,0,1|1,0,0]=3 897 B18R2.40893 CC(=O)NCCSc1n[nH]c2c1cc(cc2)Cl 62a_100000189650_100010174404 [1,0,0,0,0,1|2,0,0]=4 898 B18R2.40893 CC(=O)NCCSc1n[nH]c2c1cc(cc2)F 62a_100000189650_100011934747 [1,0,0,0,0,1|2,0,0]=4 899 B18R2.40893 CC(=O)NCCSc1n[nH]c2c1cc(cc2)N 62a_100000189650_100012353729 [1,0,0,0,0,1|2,0,0]=4 900 B18R2.40893 CC(=O)OCCSc1c[nH]c2c1cc(cn2)C 62a_100009814007_100010246215 [1,0,0,0,0,1|2,0,0]=4 901 B18R2.40893 CC(=O)OCCSc1c[nH]c2c1nc(cc2)C 62a_100009814007_100010212567 [1,0,0,0,0,1|2,0,0]=4 902 B18R2.40893 CC(=O)OCCSc1n[nH]c2c1cc(cc2)C 62a_100009814007_100000123028 [1,0,0,0,0,1|2,0,0]=4 903 B18R2.40893 CC(C)CNCCc1c[nH]c2c1cc(cc2)O 270004a_100000009091_100000210432 [1,0,0,0,0,1|1,0,1]=4 904 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(=O)N 2230a_100000008874_100000747473 [1,0,0,0,0,1|1,0,0]=3 905 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(C)C 2230a_100000008874_100000210760 [1,0,0,0,0,1|1,0,1]=4 906 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(C)C 270004a_100000008874_100000210432 [1,0,0,0,0,1|1,0,1]=4 907 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(C)O 2230a_100000008874_100011218427 [1,0,0,0,0,1|0,0,2]=4 908 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)O 2230a_100000008874_100009817552 [1,0,0,0,0,1|0,0,2]=4 909 B18R2.40893 Cc1ccc2[nH]cc(c2n1)SCCNC(=O)N 62a_200000034859_100010212567 [1,0,0,0,0,1|2,0,0]=4 910 B18R2.40893 Cc1ccc2[nH]nc(c2c1)SCCNC(=O)N 62a_200000034859_100000123028 [1,0,0,0,0,1|2,0,0]=4 911 B18R2.40893 Cc1cnc2[nH]cc(c2c1)SCCNC(=O)N 62a_200000034859_100010246215 [1,0,0,0,0,1|2,0,0]=4 912 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000747473 [1,0,0,0,0,1|2,0,0]=4 913 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000747473 [1,0,0,0,0,1|2,0,0]=4 914 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000747473 [1,0,0,0,0,1|2,0,0]=4 915 B18R2.2430643 CCNCCc1cccc2c1cc(cc2)OC 2230a_100015190247_100000210202 [1,0,0,0,0,1|1,0,1]=4 916 B18R2.2430643 CCNCCc1cccc2c1cc(cc2)OC 34a_100015190247_100000210202 [1,0,0,0,0,1|1,0,1]=4 917 B18R2.105503 COc1cccc2c1c(c[nH]2)C=NNC(=O)C 4a_100000189765_100011361680 [0,0,0,0,1,1|1,0,1]=4 918 B18R2.105503 COc1nccc2c1c(c[nH]2)SCCC(=O)C 62a_100000053229_100010206807 [0,0,0,0,1,1|2,0,0]=4 919 B18R2.105503 COc1nccc2c1c(c[nH]2)SCOC(=O)C 62a_100000076356_100010206807 [0,0,0,0,1,1|2,0,0]=4 920 B18R2.3109 COc1cc2[nH]cc(c2cn1)SCCC(=O)C 62a_100000053229_200010168631 [0,0,0,0,1,1|2,0,0]=4 921 B18R2.3109 COc1cc2[nH]cc(c2cn1)SCOC(=O)C 62a_100000076356_200010168631 [0,0,0,0,1,1|2,0,0]=4 922 B18R2.3109 COc1ccc2c(c[nH]c2c1)C=NNC(=O)C 4a_100000189765_100000051033 [0,0,0,0,1,1|1,0,1]=4 923 B18R2.3109 COc1ccc2c(c[nH]c2c1)CCNC(=O)C 240690a_100015187051_100015343762 [0,0,0,0,1,1|0,0,0]=2 924 B18R2.3109 COc1ccc2c(c[nH]c2c1)CCNC(=O)C 527a_100015187051_100103153847 [0,0,0,0,1,1|0,0,0]=2 925 B18R2.3109 COc1ccc2c(c[nH]c2c1)CCNC(C)C 2230a_100015187051_100000210206 [0,0,0,0,1,1|1,0,1]=4 926 B18R2.3109 COc1cnc2c(c[nH]c2c1)SCCC(=O)C 62a_100000053229_200010168573 [0,0,0,0,1,1|2,0,0]=4 927 B18R2.3109 COc1cnc2c(c[nH]c2c1)SCOC(=O)C 62a_100000076356_200010168573 [0,0,0,0,1,1|2,0,0]=4 928 B20R2.38969 COc1ccc2ccc(cc2c1)COCCC(=O)C 7a_100009888446_100000053229 [0,0,0,0,0,2|2,0,0]=4 929 B20R2.38969 COc1ccc2ccc(cc2c1)COCOC(=O)C 34a_100009888446_100009813279 [0,0,0,0,0,2|2,0,0]=4 930 B20R2.38969 COc1ccc2ccc(cc2c1)OCCCC(=O)C 34a_100000179802_100000685027 [0,0,0,0,0,2|2,0,0]=4 931 B20R2.38969 COc1ccc2ccc(cc2c1)OCCCC(=O)C 7a_100000179802_100011215641 [0,0,0,0,0,2|2,0,0]=4 932 B20R2.38969 COc1ccc2ccc(cc2c1)OCCNC(=O)C 7a_100000179802_100000189650 [0,0,0,0,0,2|1,0,0]=3 933 B20R2.38969 COc1ccc2ccc(cc2c1)OCCNC(=O)N 7a_100000179802_200000034859 [0,0,0,0,0,2|2,0,0]=4 934 B20R2.38969 COc1ccc2ccc(cc2c1)OCCOC(=O)C 34a_100000179802_100009814007 [0,0,0,0,0,2|2,0,0]=4 935 B20R2.38969 COc1ccc2ccc(cc2c1)OCCOC(=O)C 7a_100000179802_100009814007 [0,0,0,0,0,2|2,0,0]=4 936 B20R2.38969 COc1ccc2ccc(cc2c1)SCCCC(=O)C 62a_100011215641_100010090027 [0,0,0,0,0,2|2,0,0]=4 937 B20R2.38969 COc1ccc2ccc(cc2c1)SCCNC(=O)C 62a_100000189650_100010090027 [0,0,0,0,0,2|1,0,0]=3 938 B20R2.38969 COc1ccc2ccc(cc2c1)SCCNC(=O)N 62a_200000034859_100010090027 [0,0,0,0,0,2|2,0,0]=4 939 B20R2.38969 COc1ccc2ccc(cc2c1)SCCOC(=O)C 62a_100009814007_100010090027 [0,0,0,0,0,2|2,0,0]=4 940 B20R2.38969 COc1ccc2ccc(cc2n1)SCCNC(=O)C 62a_100000189650_100010248626 [0,0,0,0,0,2|2,0,0]=4 941 B20R2.38969 COc1ccc2ccc(cc2n1)SCCNC(=O)C 62a_100010248626_100000189650 [0,0,0,0,0,2|2,0,0]=4 942 B20R2.38969 COc1ccc2ccc(nc2c1)NCCNC(=O)C 27a_100000209853_100009877240 [0,0,0,0,0,2|1,0,0]=3 943 B20R2.38969 COc1ccc2ccc(nc2c1)NCCNC(=O)N 27a_100020590234_100009877240 [0,0,0,0,0,2|2,0,0]=4 944 B20R2.38969 COc1ccc2ccc(nc2c1)SCCCC(=O)C 62a_100011215641_100009877240 [0,0,0,0,0,2|2,0,0]=4 945 B20R2.38969 COc1ccc2ccc(nc2c1)SCCNC(=O)C 62a_100000189650_100009877240 [0,0,0,0,0,2|1,0,0]=3 946 B20R2.38969 COc1ccc2ccc(nc2c1)SCCNC(=O)N 62a_200000034859_100009877240 [0,0,0,0,0,2|2,0,0]=4 947 B20R2.38969 COc1ccc2ccc(nc2c1)SCCOC(=O)C 62a_100009814007_100009877240 [0,0,0,0,0,2|2,0,0]=4 948 B20R2.38969 COc1ccc2cnc(nc2c1)NCCNC(=O)C 27a_100000209853_100000059825 [0,0,0,0,0,2|2,0,0]=4 949 B20R2.38969 COc1ccc2cnc(nc2c1)SCCNC(=O)C 62a_100000189650_100000059825 [0,0,0,0,0,2|2,0,0]=4 950 B20R2.38969 COc1ccc2ncc(cc2c1)SCCCC(=O)C 62a_100011215641_100000700671 [0,0,0,0,0,2|1,0,1]=4 951 B20R2.38969 COc1ccc2ncc(cc2c1)SCCNC(=O)C 62a_100000189650_100000700671 [0,0,0,0,0,2|0,0,1]=3 952 B20R2.38969 COc1ccc2ncc(cc2c1)SCCNC(=O)N 62a_200000034859_100000700671 [0,0,0,0,0,2|1,0,1]=4 953 B20R2.38969 COc1ccc2ncc(cc2c1)SCCOC(=O)C 62a_100009814007_100000700671 [0,0,0,0,0,2|1,0,1]=4 954 B20R2.38969 COc1ccc2ncc(nc2c1)NCCNC(=O)C 27a_100000209853_100009882714 [0,0,0,0,0,2|0,0,1]=3 955 B20R2.38969 COc1ccc2ncc(nc2c1)NCCNC(=O)N 27a_100020590234_100009882714 [0,0,0,0,0,2|1,0,1]=4 956 B20R2.38969 COc1ccc2ncc(nc2c1)SCCCC(=O)C 62a_100011215641_100009882714 [0,0,0,0,0,2|1,0,1]=4 957 B20R2.38969 COc1ccc2ncc(nc2c1)SCCNC(=O)C 62a_100000189650_100009882714 [0,0,0,0,0,2|0,0,1]=3 958 B20R2.38969 COc1ccc2ncc(nc2c1)SCCNC(=O)N 62a_200000034859_100009882714 [0,0,0,0,0,2|1,0,1]=4 959 B20R2.38969 COc1ccc2ncc(nc2c1)SCCOC(=O)C 62a_100009814007_100009882714 [0,0,0,0,0,2|1,0,1]=4 960 B20R2.39568 C=C(C)CNCCc1cccc2c1cc(cc2)OC 2230a_100015190247_100000748629 [0,0,0,0,0,2|2,0,0]=4 961 B20R2.39568 C=C(C)CNCCc1cccc2c1cc(cc2)OC 34a_100015190247_100000748629 [0,0,0,0,0,2|2,0,0]=4 962 B20R2.39568 COc1cc2c(cccc2cn1)SCCNC(=O)C 62a_100000189650_100010126886 [0,0,0,0,0,2|2,0,0]=4 963 B20R2.39568 COc1cc2c(cccc2cn1)SCCNC(=O)C 62a_100010126886_100000189650 [0,0,0,0,0,2|2,0,0]=4 964 B20R2.39568 COc1ccc2cccc(c2c1)CCNCC(=O)N 2230a_100015190247_100000747473 [0,0,0,0,0,2|2,0,0]=4 965 B20R2.39568 COc1ccc2cccc(c2c1)CCNCC(=O)N 34a_100015190247_100000187820 [0,0,0,0,0,2|2,0,0]=4 966 B20R2.39568 COc1ccc2cccc(c2c1)CCNCC(=O)[O-] 34a_100015190247_100020667443 [0,0,0,0,0,2|2,0,0]=4 967 B20R2.39568 COc1ccc2cccc(c2c1)NCCCC(=O)C 34a_100000087654_100000685027 [0,0,0,0,0,2|2,0,0]=4 968 B20R2.39568 COc1ccc2cccc(c2c1)NCCOC(=O)C 34a_100000087654_100009814007 [0,0,0,0,0,2|2,0,0]=4 969 B20R2.39568 COc1ccc2cccc(c2c1)OCCCC(=O)C 34a_100000040783_100000685027 [0,0,0,0,0,2|2,0,0]=4 970 B20R2.39568 COc1ccc2cccc(c2c1)OCCCC(=O)C 7a_100000040783_100011215641 [0,0,0,0,0,2|2,0,0]=4 971 B20R2.39568 COc1ccc2cccc(c2c1)OCCNC(=O)C 7a_100000040783_100000189650 [0,0,0,0,0,2|1,0,0]=3 972 B20R2.39568 COc1ccc2cccc(c2c1)OCCNC(=O)N 7a_100000040783_200000034859 [0,0,0,0,0,2|2,0,0]=4 973 B20R2.39568 COc1ccc2cccc(c2c1)OCCOC(=O)C 34a_100000040783_100009814007 [0,0,0,0,0,2|2,0,0]=4 974 B20R2.39568 COc1ccc2cccc(c2c1)OCCOC(=O)C 7a_100000040783_100009814007 [0,0,0,0,0,2|2,0,0]=4 975 B20R2.39568 COc1ccc2cccc(c2c1)SCCCC(=O)C 62a_100011215641_100010178974 [0,0,0,0,0,2|2,0,0]=4 976 B20R2.39568 COc1ccc2cccc(c2c1)SCCNC(=O)C 62a_100000189650_100010178974 [0,0,0,0,0,2|1,0,0]=3 977 B20R2.39568 COc1ccc2cccc(c2c1)SCCNC(=O)N 62a_200000034859_100010178974 [0,0,0,0,0,2|2,0,0]=4 978 B20R2.39568 COc1ccc2cccc(c2c1)SCCOC(=O)C 62a_100009814007_100010178974 [0,0,0,0,0,2|2,0,0]=4 979 B20R2.39568 COc1ccc2ccnc(c2c1)NCCNC(=O)C 27a_100000209853_100012348807 [0,0,0,0,0,2|1,0,0]=3 980 B20R2.39568 COc1ccc2ccnc(c2c1)NCCNC(=O)N 27a_100020590234_100012348807 [0,0,0,0,0,2|2,0,0]=4 981 B20R2.39568 COc1ccc2ccnc(c2c1)SCCCC(=O)C 62a_100011215641_100012348807 [0,0,0,0,0,2|2,0,0]=4 982 B20R2.39568 COc1ccc2ccnc(c2c1)SCCNC(=O)C 62a_100000189650_100012348807 [0,0,0,0,0,2|1,0,0]=3 983 B20R2.39568 COc1ccc2ccnc(c2c1)SCCNC(=O)N 62a_200000034859_100012348807 [0,0,0,0,0,2|2,0,0]=4 984 B20R2.39568 COc1ccc2ccnc(c2c1)SCCOC(=O)C 62a_100009814007_100012348807 [0,0,0,0,0,2|2,0,0]=4 985 B20R2.39568 COc1ccc2nccc(c2c1)NCCNC(=O)C 27a_100000209853_100011310462 [0,0,0,0,0,2|0,0,1]=3 986 B20R2.39568 COc1ccc2nccc(c2c1)NCCNC(=O)N 27a_100020590234_100011310462 [0,0,0,0,0,2|1,0,1]=4 987 B20R2.39568 COc1ccc2nccc(c2c1)OCCCC(=O)C 34a_100000005308_100000685027 [0,0,0,0,0,2|1,0,1]=4 988 B20R2.39568 COc1ccc2nccc(c2c1)OCCOC(=O)C 34a_100000005308_100009814007 [0,0,0,0,0,2|1,0,1]=4 989 B20R2.39568 COc1ccc2nccc(c2c1)SCCCC(=O)C 62a_100011215641_100011310462 [0,0,0,0,0,2|1,0,1]=4 990 B20R2.39568 COc1ccc2nccc(c2c1)SCCNC(=O)C 62a_100000189650_100011310462 [0,0,0,0,0,2|0,0,1]=3 991 B20R2.39568 COc1ccc2nccc(c2c1)SCCNC(=O)N 62a_200000034859_100011310462 [0,0,0,0,0,2|1,0,1]=4 992 B20R2.39568 COc1ccc2nccc(c2c1)SCCOC(=O)C 62a_100009814007_100011310462 [0,0,0,0,0,2|1,0,1]=4 993 B20R2.39568 COc1ccc2nccc(c2n1)NCCNC(=O)C 27a_100000209853_100000090520 [0,0,0,0,0,2|1,0,1]=4 994 B20R2.39568 COc1ccc2nccc(c2n1)SCCNC(=O)C 62a_100000189650_100000090520 [0,0,0,0,0,2|1,0,1]=4 995 B20R2.39568 COc1ccc2nccc(c2n1)SCCNC(=O)C 62a_100010199756_100000189650 [0,0,0,0,0,2|1,0,1]=4 996 B20R2.39568 COc1ccc2ncnc(c2c1)NCCNC(=O)C 27a_100000209853_100011804145 [0,0,0,0,0,2|0,0,1]=3 997 B20R2.39568 COc1ccc2ncnc(c2c1)NCCNC(=O)N 27a_100020590234_100011804145 [0,0,0,0,0,2|1,0,1]=4 998 B20R2.39568 COc1ccc2ncnc(c2c1)SCCCC(=O)C 62a_100011215641_100011804145 [0,0,0,0,0,2|1,0,1]=4 999 B20R2.39568 COc1ccc2ncnc(c2c1)SCCNC(=O)C 62a_100000189650_100011804145 [0,0,0,0,0,2|0,0,1]=3 1000 B20R2.39568 COc1ccc2ncnc(c2c1)SCCNC(=O)N 62a_200000034859_100011804145 [0,0,0,0,0,2|1,0,1]=4 1001 B20R2.39568 COc1ccc2ncnc(c2c1)SCCOC(=O)C 62a_100009814007_100011804145 [0,0,0,0,0,2|1,0,1]=4 1002 B20R2.308494 C=C(C)CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000730704 [0,0,0,0,0,2|1,0,0]=3 1003 B20R2.308494 C=C(C)CCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000730704 [0,0,0,0,0,2|2,0,0]=4 1004 B20R2.308494 COc1cc2c(c[nH]c2cn1)SCCCCC(=O)C 62a_100000735457_200010163580 [0,0,0,0,0,2|2,0,0]=4 1005 B20R2.308494 COc1cc2c(c[nH]c2cn1)SCCCOC(=O)C 62a_100000042594_200010163580 [0,0,0,0,0,2|2,0,0]=4 1006 B20R2.308494 COc1cc2c(c[nH]c2cn1)SCCCSC(=O)C 62a_100000038929_200010163580 [0,0,0,0,0,2|2,0,0]=4 1007 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCC=C(C)C 2230a_100000755253_100000761012 [0,0,0,0,0,2|1,0,0]=3 1008 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCCC(=O)N 2230a_100000755253_100000744528 [0,0,0,0,0,2|1,0,0]=3 1009 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCCC(C)C 2230a_100000755253_100000210312 [0,0,0,0,0,2|1,0,1]=4 1010 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCCC(C)C 269862a_100000755253_100000185833 [0,0,0,0,0,2|1,0,1]=4 1011 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCCC(C)O 2230a_100000755253_100012276601 [0,0,0,0,0,2|0,0,2]=4 1012 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCNCOC(C)C 2230a_100000755253_100000709892 [0,0,0,0,0,2|1,0,1]=4 1013 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCOCC=C(C)C 34a_200011933912_100000761012 [0,0,0,0,0,2|2,0,0]=4 1014 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCOCCC(=O)N 34a_200011933912_100000731001 [0,0,0,0,0,2|2,0,0]=4 1015 B20R2.308494 COc1ccc2[nH]cc(c2c1)CCOCOC(=O)C 34a_200011933912_100009813279 [0,0,0,0,0,2|1,0,0]=3 1016 B20R2.308494 COc1ccc2[nH]cc(c2c1)CNCCCS(=O)C 270004a_200000753449_100000748866 [0,0,0,0,0,2|2,0,0]=4 1017 B20R2.308494 COc1ccc2[nH]cc(c2n1)SCCCCC(=O)C 62a_100000735457_100010199035 [0,0,0,0,0,2|2,0,0]=4 1018 B20R2.308494 COc1ccc2[nH]cc(c2n1)SCCCOC(=O)C 62a_100000042594_100010199035 [0,0,0,0,0,2|2,0,0]=4 1019 B20R2.308494 COc1ccc2[nH]cc(c2n1)SCCCSC(=O)C 62a_100000038929_100010199035 [0,0,0,0,0,2|2,0,0]=4 1020 B20R2.308494 COc1ccc2[nH]nc(c2c1)CNCCNC(=O)C 207a_100000209853_100000084273 [0,0,0,0,0,2|1,0,0]=3 1021 B20R2.308494 COc1ccc2[nH]nc(c2c1)CNCCNC(=O)N 207a_100020590234_100000084273 [0,0,0,0,0,2|2,0,0]=4 1022 B20R2.308494 COc1ccc2[nH]nc(c2c1)SCCCCC(=O)C 62a_100000735457_100012353730 [0,0,0,0,0,2|2,0,0]=4 1023 B20R2.308494 COc1ccc2[nH]nc(c2c1)SCCCOC(=O)C 62a_100000042594_100012353730 [0,0,0,0,0,2|2,0,0]=4 1024 B20R2.308494 COc1ccc2[nH]nc(c2c1)SCCCSC(=O)C 62a_100000038929_100012353730 [0,0,0,0,0,2|2,0,0]=4 1025 B20R2.308494 COc1cnc2[nH]cc(c2c1)SCCCCC(=O)C 62a_100000735457_100010199036 [0,0,0,0,0,2|2,0,0]=4 1026 B20R2.308494 COc1cnc2[nH]cc(c2c1)SCCCOC(=O)C 62a_100000042594_100010199036 [0,0,0,0,0,2|2,0,0]=4 1027 B20R2.308494 COc1cnc2[nH]cc(c2c1)SCCCSC(=O)C 62a_100000038929_100010199036 [0,0,0,0,0,2|2,0,0]=4