0 B10R1.271 CN1C(=O)NC(C1=O)(C)C Z53843898 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.271 CN1C(=O)OC(C1=O)(C)C Z1201618106 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.37 CC1=CC(=O)N(C1=O)C Z390458732 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.37 CN1C(=O)NC(=O)C1=O Z56963356 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.37 CN1CC(=O)N(C1=N)C Z1998636669 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.37 CN1N=C(N(C1=O)C)N Z1203589982 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.37 CN1NC(=O)N(C1=O)C Z2511803350 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.38 C=C1OC(=O)OC1(C)C Z1201620090 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.38 CC1(CC(=O)NC1=O)C Z384975080 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.38 CC1(NC(=O)CC1=O)C Z1258978079 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.38 CC1(NC(=O)N=C1N)C Z1203586967 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.38 CC1(NC(=O)NC1=O)C Z56766998 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.38 CC1(SC(=O)NC1=O)C Z1262691814 [1,0,0,0,0,0|0,1,0]=2 16 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.419 CCC1(NC(=O)N(C1=O)N)C Z56930797 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.419 CCC1(OC(=O)N(C1=O)C)C Z1198155421 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.426 CCN1C(=O)NC(C1=O)(C)C Z53843899 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.23 CC(C)OC(=O)C(C)CN Z1267885907 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.23 CNC(C)C(=O)OC(C)C Z993898430 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [1,0,1,0,0,0|2,0,0]=4 23 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [1,0,1,0,0,0|0,0,1]=3 24 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [1,0,1,0,0,0|1,0,1]=4 25 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,0,1,0,0,0|1,0,1]=4 28 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.23 CC(Cl)C(=O)NC(=O)N Z56915885 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [1,0,1,0,0,0|2,0,0]=4 33 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.27 CN(C)C(=O)C(C)(C)Br Z1278924459 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.27 CN(C)C(=O)C(C)(C)N Z801827676 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [1,0,1,0,0,0|1,0,1]=4 37 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.18 CC1CC(=O)NC1=O Z729209272 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.18 CC1NC(=O)NC1=O Z56862247 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.18 CN1CC(=O)NC1=O Z104473250 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [2,0,0,0,0,0|0,0,1]=3 45 B8R1.50 CC1C(=O)CCC1=O Z104503660 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.50 CN1C(=N)NCC1=O Z2526439738 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.50 CN1C(=O)CN=C1S Z3219957196 [2,0,0,0,0,0|1,1,0]=4 49 B8R1.50 CN1C(=O)CNC1=O Z54599682 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.50 CN1C(=O)COC1=O Z1618025816 [2,0,0,0,0,0|0,0,0]=2 51 B8R1.50 CN1C(=O)NNC1=O Z1117899218 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.50 O=C1CCC(=O)N1O Z56933833 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.19 CC1(CCNC1=O)C Z1201628732 [2,0,0,0,0,0|1,0,1]=4 54 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,1,1,0,0,0|2,0,0]=4 55 B10R0.47 COC(=O)NC(C)(C)C(=O)O Z801822452 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.117 CC(C)S(=O)(=O)C(C)C(=O)O Z295403360 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.117 CN(C)C(=O)C(C)(C)C(=O)O Z1544745313 [0,1,1,0,0,0|2,0,0]=4 58 B10R1.560 CC1(CC(C(=O)O1)(C)N)C Z2217033064 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.34 CN1C(=O)CC(C1=O)CN Z1964338369 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.34 CN1C=C(N(C1=O)C)C=O Z1511895824 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.191 CN1C(=O)C(=O)N(C1=O)C Z54462676 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.272 CC1(NC(=O)OC1(C)C)C Z1509152218 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.475 CC1(NC(=O)NC1=O)CN Z3281869077 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.475 CCC1(CC(=O)NC1=O)C Z384975088 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.475 CCC1(NC(=O)CC1=O)C Z1510019271 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.475 CCC1(NC(=O)NC1=O)C Z56862713 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.475 C[C@@]1(NC(=O)NC1=O)CN Z3481525890 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.475 C[C@]1(NC(=O)NC1=O)CN Z3481525884 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.798 CC1(OC(=O)C(C(=O)O1)C=O)C Z1511744436 [0,1,0,0,0,1|1,0,1]=4 70 B12R1.798 CCC1C(=O)OC(OC1=O)(C)C Z1416168834 [0,1,0,0,0,1|1,0,0]=3 71 B12R1.3007 CC1(OC(=O)C(C(=O)O1)(C)C)C Z1198163865 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.2551 CCN1C(=N)C(N(C1=O)C)(C)C Z1366923540 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.1116 CC1(NC(=O)N(C1=O)CC#N)C Z14479328 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.1116 CC1(NC(=O)N(C1=O)CCBr)C Z285922076 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.1116 CC1(NC(=O)N(C1=O)CCN)C Z3477439487 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.1116 CC1(NC(=O)N(C1=O)CCO)C Z149202356 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.119 CN1C(=O)CCC(C1=O)N Z2310679289 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [1,0,0,0,1,0|1,0,1]=4 79 B10R0.93 CC(=O)N(C)CC(=O)N(C)C Z255062122 [0,0,1,0,0,1|2,0,0]=4 80 B10R0.93 CC(C)C(=O)NC(C)C(=O)O Z85890230 [0,0,1,0,0,1|1,0,0]=3 81 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O Z829938994 [0,0,1,0,0,1|2,0,0]=4 82 B10R1.63 CC1(CCC(=O)NC1=O)N Z3244746071 [1,0,0,0,0,1|2,0,0]=4 83 B10R1.63 CC1(CNC(=O)NC1=O)C Z1203732182 [1,0,0,0,0,1|1,0,0]=3 84 B10R1.63 CC1(NNC(=S)NC1=O)C Z56983148 [1,0,0,0,0,1|1,1,0]=4