0 B8R0.10 CCC(CC)(CC)CN Z1416200963 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.10 CCC(CC)(CC)CO Z1270136301 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.10 CCC(CC)(CN)CO Z945434714 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.10 CCC(CO)(CO)CO Z104473550 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.10 NCC(CN)(CN)CN Z2681267399 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.10 NCC(CN)(CN)CO Z3992981966 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.10 NCC(CN)(CO)CO Z2197092210 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.10 OCC(CO)(CO)CO Z295122660 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.18 C#CC(N)(CO)CO Z4890240833 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.18 CC(CN)(CN)CN Z3025090007 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.18 CC(CO)(CO)CO Z299622542 [1,0,0,0,0,0|0,0,0]=1 11 B7R0.18 CCC(C)(CC)CN Z2941505587 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.18 CCC(C)(CN)CO Z1203583788 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.18 CCC(N)(CC)CO Z734151048 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.18 CCC(O)(CC)CC Z449374516 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.18 CCC(O)(CC)CN Z419084794 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.18 NC(CO)(CO)CO Z104509094 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.18 NCC(N)(CO)CO Z4628649688 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.18 NCC(O)(CO)CO Z3268384933 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.62 CCC(CC)(CN)CCO Z1270248813 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.78 CCC(CC)(CO)C(=O)O Z1205493947 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.78 O=[N+]([O-])C(CO)(CO)CO Z57124105 [0,1,0,0,0,0|1,0,1]=3 22 B9R1.204 CCC1(CCOC1)CN Z5336307441 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.204 NCC1(CCCC1)CO Z1718490164 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.204 NCC1(CSSC1)CO Z5403007904 [0,0,0,1,0,0|1,2,0]=4 25 B9R1.204 OCC1(CCCO1)CO Z1726051641 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.204 OCC1(CSSC1)CO Z1896551233 [0,0,0,1,0,0|0,2,0]=3 27 B6R0.8 CC(C)(CN)CO Z3247605488 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.8 CCC(C)(C)CO Z995039230 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.8 CCC(C)(N)CO Z734150850 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.8 CCC(C)(O)CC Z449374480 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.8 CCC(C)(O)CN Z419085064 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.8 CNC(C)(C)CO Z425727892 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.8 COC(C)(C)CO Z1255430497 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.9 CCC(CO)CO Z1198261463 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.9 CNC(CO)CO Z1939437574 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.31 CNC(C)(CO)COC Z992449352 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.31 COCC(C)(CO)CO Z1627202220 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.31 COCC(O)(CN)CO Z3446469121 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.36 CN(C)C(C)(CO)CO Z2235386894 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.52 CC1(CCCC1)CO Z1255466752 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.52 CC1(CCNC1)CO Z1270138787 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.52 CC1(CCOC1)CN Z995185734 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.52 CC1(CCOC1)CO Z1270138617 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.52 NCC1(CCOC1)O Z1124555593 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.52 OCC1(CCCC1)O Z1258947137 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.52 OCC1(CCOC1)O Z1537124515 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.60 OCC1(CCN1)CO Z4371640736 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.60 OCC1(CNC1)CO Z2855995961 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.237 O=C1NC(CO1)(CO)CO Z1509144121 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.487 CCC1(CCOCC1)CO Z1270134090 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.487 CCC1(COCCN1)CO Z3243126256 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.487 NCC1(CCCOC1)CO Z4156647232 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.487 NCC1(CCOCC1)CO Z945434608 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.487 OCC1(CCCNC1)CO Z2310716050 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.487 OCC1(CCOCC1)CO Z1201628822 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.529 NCC1(CCOC1)CCO Z1270248844 [0,1,0,1,0,0|2,0,0]=4