0 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 SBB068552 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 SBB050152 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 SBB301291 [1,0,0,0,0,0|3,0,0]=4 6 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SBB007684 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 SBB012450 [0,1,0,0,0,0|1,0,0]=2 8 B15R2.612 N1C(=O)CC1OC(=O)C2=CC=CC=C2 SBB057574 [0,0,0,1,0,0|2,0,1]=4 9 B15R2.53147 O=C(O)CC1OC(=O)C2=CC=CC=C21 SBB016547 [0,0,0,1,0,0|2,0,1]=4 10 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,0,0,0,1,0|1,0,1]=3 11 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [0,0,0,0,1,0|1,0,2]=4 13 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [0,0,0,0,1,0|1,0,0]=2 14 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.45 CN(C)\C=C/C(=O)C1=CC=CC=C1 SBB023014 [0,0,0,0,1,0|1,0,2]=4 16 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 SBB055111 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [0,0,0,0,1,0|1,0,0]=2 19 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [2,0,0,0,0,0|0,0,1]=3 22 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [2,0,0,0,0,0|0,0,0]=2 25 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [2,0,0,0,0,0|2,0,0]=4 31 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 SBB056545 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.19 CCCCNC(=O)C1=CC=C(N)C=C1 SBB080091 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 SBB007542 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 SBB060338 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 SBB080271 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.19 COCCOC(=O)C1=CC=C(N)C=C1 SBB043654 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 SBB080093 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.20 O=C(NCCCCl)C1=CC(Cl)=CC=C1 SBB097876 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 SBB064863 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 SBB116861 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.38 CNCCCNC(=O)C1=NC=CC=C1 SBB301289 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 SBB006654 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 SBB008484 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 SBB061296 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.1035 CC1=CC=CC=C1C(=O)NCCCCl SBB094553 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.1035 CCCCNC(=O)C1=CC=CC=C1N SBB080180 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N SBB072416 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N SBB080078 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 SBB017731 [0,1,0,0,1,0|0,0,0]=2 50 B14R1.540 CN(C)CC\C(=N\O)C1=CC=CC=C1 SBB025857 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 SBB073012 [0,1,0,0,1,0|0,0,0]=2 52 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 SBB080168 [0,1,0,0,1,0|0,0,0]=2 53 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 SBB100369 [0,1,0,0,1,0|1,0,0]=3 54 B16R1.1026 CN(C)CCCNC(=O)C1=CC=C(N)C=C1 SBB072261 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.96 CC(C)CCOC1=CC=CC=C1C=O SBB020836 [0,0,1,1,0,0|2,0,0]=4 56 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [1,0,0,1,0,0|0,0,2]=4 57 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 SBB007885 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058029 [1,0,0,1,0,0|0,0,2]=4 59 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 SBB058941 [0,0,0,1,1,0|2,0,0]=4 60 B16R2.4003 CC(C)CCN1C2=CC=CC=C2N=C1S SBB014083 [0,0,0,1,0,1|1,1,0]=4 61 B12R1.35 CCCCCC(=O)C1=CC=CO1 SBB008342 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.35 CCCCCC(=O)C1=CC=CS1 SBB061352 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [1,0,0,0,1,0|1,0,1]=4 64 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 SBB090070 [0,0,0,0,2,0|2,0,0]=4 66 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,0,0,0,2,0|1,0,1]=4 67 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,0,0,0,2,0|1,0,0]=3 68 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,0,0,0,2,0|1,0,0]=3 69 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 SBB060334 [1,0,0,0,0,1|0,0,0]=2