0 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.64 CN(C)CC1CCCC1=O Z1272096659 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.64 NC(=O)CN1CCCC1=O Z56865289 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.64 O=C(O)CN1CCSC1=O Z90122427 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,0,0,0|1,1,1]=4 8 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,0,0,0|1,1,0]=3 15 B11R1.57 CC(=O)NC1=C(SC=C1)C=O Z1222343812 [0,1,0,0,0,0|0,0,3]=4 16 B11R1.228 C=CC(=O)NC1CCSC1C Z2216280290 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.228 COC(=O)CC1CCCC1=O Z1198182980 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.228 COC(=O)CN1CCNC1=O Z1491195501 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.228 O=C(CCl)NC1CCSC1=O Z561159788 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.495 CC(=O)NN1C(=O)CSC1=S Z56886398 [0,1,0,0,0,0|1,1,1]=4 21 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,0,1,0,0,0|1,1,0]=3 22 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,0,1,0,0,0|2,1,0]=4 23 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,0,1,0,0,0|1,1,0]=3 24 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,0,1,0,0,0|1,1,0]=3 25 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,0,1,0,0,0|2,1,0]=4 26 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,0,1,0,0,0|1,1,0]=3 27 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,0,1,0,0,0|1,1,1]=4 28 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,0,1,0,0,0|2,1,0]=4 29 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,0,1,0,0,0|2,1,0]=4 31 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,0,1,0,0,0|0,1,0]=2 32 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [0,0,1,0,0,0|1,1,1]=4 33 B11R2.42 O=C1CC2(C1)CCNC2=O Z2681264974 [0,0,0,1,0,0|2,0,0]=3 34 B11R2.66 O=C1C[C@@H]2CCC(=O)[C@@H]2O1 Z4417659299 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.66 O=C1OC2CNC(=O)C2O1 Z3211979075 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.41 CC(=O)N1CCNC1=S Z56755947 [0,0,0,0,1,0|2,1,0]=4 38 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,0,0,0,1,0|2,0,1]=4 39 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [0,0,0,0,1,0|2,0,1]=4 40 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.90 O=C(O)CCN1CCSC1=O Z118308192 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.90 O=C([O-])CCC1CCCC1=O Z4356981513 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,0,0,1|3,0,0]=4 47 B8R0.7 CC(=O)NCCCCN Z600498842 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.7 CCNCCNC(=O)C Z123868526 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,0,1,0,0,0|1,0,1]=4 50 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [1,0,1,0,0,0|1,0,1]=4 51 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [1,0,1,0,0,0|1,0,0]=3 54 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,1,0,0,0|0,1,0]=3 55 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,1,0,0,0|0,1,0]=3 56 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,1,0,0,0|0,1,0]=3 57 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [1,0,1,0,0,0|1,1,0]=4 58 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,1,0,0,0|0,1,1]=4 59 B8R0.1 CCNCC(=O)NCC Z55849446 [1,0,1,0,0,0|1,0,1]=4 60 B8R1.11 CCC1CCCC1=O Z813018310 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.11 CCC1CCNC1=O Z1203732458 [2,0,0,0,0,0|1,0,1]=4 62 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,1,1,0,0,0|1,0,1]=4 65 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,1,1,0,0,0|1,0,0]=3 66 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,1,1,0,0,0|2,0,0]=4 67 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,1,1,0,0,0|2,0,0]=4 68 B10R0.13 CC(=O)NC(C)C(=O)N(C)C Z32014329 [0,1,1,0,0,0|1,0,0]=3 69 B10R0.37 COC(=O)C(C)NS(=O)(=O)C Z56150739 [0,1,1,0,0,0|1,1,0]=4 70 B10R0.37 COC(=O)[C@H](C)NS(=O)(=O)C Z133653676 [0,1,1,0,0,0|1,1,0]=4 71 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Z56346999 [0,1,1,0,0,0|0,1,0]=3 72 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Z57032483 [0,1,1,0,0,0|0,1,0]=3 73 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,1,1,0,0,0|1,1,0]=4 74 B10R0.108 CCNC(=O)CNC(=O)CCl Z147651766 [0,1,1,0,0,0|1,0,0]=3 75 B10R0.108 CCOC(=O)CNC(=O)CC Z594035716 [0,1,1,0,0,0|0,1,0]=3 76 B10R0.108 CCOC(=O)CNC(=O)OC Z594037488 [0,1,1,0,0,0|0,1,0]=3 77 B10R1.27 CCC(=O)NC1CCNC1 Z439698382 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.27 CNC(=O)NC1CCNC1 Z1203825246 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.39 O=CC1=CCCC1C(=O)O Z1205494639 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.65 CS(=O)(=O)C1CCCC1=O Z979420414 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.291 CC1(CCNC1=O)C(=O)O Z2034558836 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.371 C=CC(=O)NC1CCCNC1=O Z954636734 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.371 COC(=O)CC1CCCCC1=O Z1198182982 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.371 COC(=O)CC1NCCNC1=O Z56971008 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.371 COC(=O)CC1SCCNC1=O Z1198160729 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,0,1,1,0,0|0,1,0]=3 92 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,0,1,1,0,0|1,1,0]=4 93 B10R1.408 COC(=O)C1CC1C(=O)C Z1255492858 [0,0,1,1,0,0|1,1,0]=4 94 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,1,1,0,0|0,1,0]=3 95 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,1,1,0,0|1,1,0]=4 96 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,1,1,0,0|1,1,0]=4 97 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,0,1,1,0,0|1,1,0]=4 98 B10R1.442 CC(=O)NC1(CC1)C(=O)O Z1205494618 [0,0,1,1,0,0|0,1,0]=3 99 B10R1.442 NC(=O)NC1(CC1)C(=O)O Z1203590286 [0,0,1,1,0,0|1,1,0]=4 100 B10R2.2 O=C1C[C@@H]2CSC[C@@H]2C1 Z1513645855 [1,0,0,1,0,0|1,0,1]=4 101 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [1,0,0,1,0,0|1,0,1]=4 102 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [1,0,0,1,0,0|0,1,1]=4 103 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [1,0,0,1,0,0|1,0,1]=4 104 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [1,0,0,1,0,0|0,1,1]=4 105 B10R2.31 O=C1CC[C@@H]2CC[C@@H]2N1 Z4402563392 [0,0,0,1,1,0|1,0,1]=4 106 B12R2.111 O=C1CC(N1)C2CCCC2=O Z1216835024 [0,0,0,1,0,1|1,0,0]=3 107 B12R2.2314 O=C1CCC2(C1)CCNC2=O Z1509340920 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.606 O=C1C[C@@H]2CNC(=O)C[C@@H]2C1 Z3464898579 [0,0,0,1,0,1|2,0,0]=4 109 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,0,1,0,1,0|0,1,0]=3 110 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,0,1,0,1,0|1,0,0]=3 111 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,1,0|1,0,1]=4 112 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,0,1,0|1,0,1]=4 113 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,0,1,0|0,1,1]=4 114 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,0,1,0|1,0,1]=4 115 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,0,1,0|1,0,1]=4 116 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [1,0,0,0,1,0|1,0,1]=4 117 B8R1.34 NC(=O)NC1CCC1 Z979783478 [1,0,0,0,1,0|1,0,1]=4