0 B6R0.6 C#CCSCC#C T71739 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCSCCN AT19952 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCSCCO AT19948 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C=CCSCCN AT25545 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCNCCSC AT25567 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CNCCCC#N AB10346 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CNCCCOC F15969 [0,0,0,0,0,0|2,1,0]=3 7 B6R0.6 COCCCC#N C77649 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.6 COCCCCN C77605 [0,0,0,0,0,0|3,1,0]=4 9 B6R0.6 COCCCON AT14486 [0,0,0,0,0,0|2,2,0]=4 10 B6R0.6 CSCCN=C=S AT25553 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 NCCSCCO AT25550 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 [2H]OCCCCC D99155 [0,0,0,0,0,0|3,1,0]=4 13 B5R0.2 C#CCCOC AC9661 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.2 C#CCNCC AT19974 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CC#CCNC AT19972 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,1,0]=4 19 B5R0.2 CNCCSC D87904 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.2 COCCNN AC7088 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|2,1,0]=4 22 B7R0.1 CNCCCCCO AT11157 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.1 CNCCCCCO AT11158 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.1 C\C=C/CCCCC T72919 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 NCCSCCCO AT25557 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.4 CC(C)CSCCN AT25570 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.7 COCC(Br)COC D74902 [0,1,0,0,0,0|1,2,0]=4 28 B7R0.7 COCC(N)COC AT12494 [0,1,0,0,0,0|1,2,0]=4 29 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 CN[C@H]1CCNC1 C14692 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.1 CN[C@H]1CCOC1 P13110 [0,0,0,1,0,0|2,1,0]=4 33 B7R1.1 CN[C@H]1CCOC1 P13111 [0,0,0,1,0,0|2,1,0]=4 34 B7R1.1 CN[C@H]1CCSC1 D72867 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.24 C1CCCNCC1 D77224 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.24 C1CNCCSC1 W16417 [0,0,0,1,0,0|2,0,0]=3 41 B4R0.2 C#CCSC AT19944 [2,0,0,0,0,0|0,0,2]=4 42 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|0,1,0]=3 45 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|1,1,0]=4 46 B6R0.1 CCOC(=S)SC AC9840 [1,1,0,0,0,0|0,1,1]=4 47 B6R0.1 CC[C@H](N)COC D87652 [1,1,0,0,0,0|1,1,0]=4 48 B6R0.1 CC[C@H](N)COC D87653 [1,1,0,0,0,0|1,1,0]=4 49 B6R0.1 CSC[C@@H](N)CO 96818 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.1 CSC[C@@H](N)CO 96819 [1,1,0,0,0,0|1,1,0]=4 51 B6R0.4 CCNC[C@H](C)O 91070 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.22 COC(CSC)CSC T70761 [0,2,0,0,0,0|1,0,0]=3 53 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.1 C1CNCOC1 C72764 [1,0,0,1,0,0|1,1,0]=4 55 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.6 CNC1COC1 F51705 [1,0,0,1,0,0|1,1,0]=4 57 B6R1.6 N#CC1CSC1 56781 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.2 CSC1CCNCC1 32247 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.2 CSC1CCNCC1 P10626 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 CC1CSCC(C)N1 AT10826 [0,1,0,1,0,0|2,0,0]=4