0 B12R1.480 CCC(C(=O)N)N1CCCC1=O Z1037380162 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.480 CCC(C(=O)O)N1CCCC1=O Z425426776 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.480 CC[C@@H](C(=O)N)N1CCCC1=O Z1255435426 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.89 CC(C(=O)O)N1CCOC1=O Z323040336 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.3753 CC(C)C(C(=O)O)N1CCCC1=O Z285571568 [0,1,0,0,0,0|1,0,0]=2 5 B13R1.6336 CCC(C(=O)O)N1C(=O)CCC1=O Z359715718 [0,1,0,0,0,0|1,0,1]=3 6 B13R2.3749 O=C(O)C1CCC2N1C(=O)CC2 Z1509044927 [0,0,0,1,0,0|1,0,0]=2 7 B10R0.94 CCC(C(=O)O)N(CC)CC Z1270387267 [1,0,1,0,0,0|1,0,1]=4 8 B10R0.26 COCC(=O)NC(C)C(=O)O Z85890361 [1,0,1,0,0,0|2,0,0]=4 9 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [2,0,0,0,0,0|2,0,0]=4 10 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.64 CC(N)CN1CCCC1=O Z607822380 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.64 NC(=O)CN1CCCC1=O Z56865289 [2,0,0,0,0,0|0,0,0]=2 13 B10R1.64 NC(=S)CN1CCOC1=O Z323040472 [2,0,0,0,0,0|1,1,0]=4 14 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.64 O=C(O)CN1CCSC1=O Z90122427 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.64 O=C(O)CN1CSCC1=O Z56347574 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.149 O=C(CCl)N1CCCC1=O Z56900890 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.9 CCC(CN)N1CCCC1 Z270833578 [2,0,0,0,0,0|0,0,2]=4 20 B12R0.67 CCOC(=O)NC(C(=O)O)C(C)C Z283822668 [0,1,1,0,0,0|2,0,0]=4 21 B12R0.67 COCC(=O)N[C@H](C(=O)O)C(C)C Z98654081 [0,1,1,0,0,0|2,0,0]=4 22 B12R1.897 CC(C(=O)O)N1C(=O)CCC1=O Z57229214 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.1002 CC(C)(C(=O)O)N1CCOC1=O Z801823866 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.134 CCC(CCN)N1CCCC1=O Z1262398409 [1,1,0,0,0,0|0,0,1]=3 25 B12R1.1395 CC(C)C(C(=O)O)N1CCCC1 Z763367876 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.6451 CC(C)C(C(=O)O)N1CCCS1(=O)=O Z285921192 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.4874 CC(C)(C)C(C(=O)O)N1CCCC1=O Z1143275410 [0,2,0,0,0,0|1,0,0]=3 28 B14R1.4874 CC(C)(C)C(C(=O)O)N1CCOC1=O Z1143275412 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [0,0,1,1,0,0|2,0,0]=4 30 B12R1.368 CCC(=O)N1CSCC1C(=O)O Z316101256 [0,0,1,1,0,0|2,0,0]=4 31 B12R1.368 COC(=O)N1CCCC1C(=O)O Z319610280 [0,0,1,1,0,0|2,0,0]=4 32 B12R1.368 O=C(O)C1CCCN1C(=O)CCl Z336080984 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.87 CCC1C(=O)NCCN1C(=O)N Z2753072084 [0,0,1,1,0,0|1,0,0]=3 34 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,0,1,1,0,0|1,0,0]=3 35 B12R1.261 CC(=O)N1CCOCC1C(=O)O Z1258978283 [0,0,1,1,0,0|2,0,0]=4 36 B12R1.261 CC(=O)N1CCSCC1C(=O)N Z1553145250 [0,0,1,1,0,0|1,0,0]=3 37 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,0,1,1,0,0|2,0,0]=4 38 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 Z2275489981 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.10 O=C1CCCN1C2CCNC2 Z1696091899 [1,0,0,1,0,0|0,0,1]=3 40 B14R2.269 O=C1NCCC1N2CCC=C(C2)F Z1619970852 [0,0,0,1,0,1|1,0,1]=4 41 B14R2.8543 CC12CCC(=O)N1C(CS2)C(=O)O Z56944537 [0,1,0,1,0,0|2,0,0]=4 42 B12R1.124 CC(C(=O)O)N1CCCCC1=O Z354005210 [1,0,0,0,0,1|1,0,0]=3 43 B12R1.124 CC(C(=O)O)N1CCOCC1=O Z1323532438 [1,0,0,0,0,1|1,0,0]=3 44 B12R1.144 CC(CC(=O)O)N1CCCC1=O Z398990432 [1,0,0,0,0,1|1,0,0]=3 45 B12R1.225 CC(C(=O)N)N1CCC=C(C1)F Z1587273493 [1,0,0,0,0,1|1,0,1]=4 46 B12R1.225 CC1CCCN(C1)C(C)C(=O)N Z54752662 [1,0,0,0,0,1|1,0,1]=4