0 B9R1.23 CCC1N=C(C(S1)C)C TS06882 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.23 CCc1nc(c(o1)C)C TS36061 [0,0,0,0,0,0|0,1,2]=3 2 B9R1.23 CCn1cc(c(n1)C)N TS90681 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.23 Cc1c(sc(n1)C#N)C TS88738 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.1 CCC1=NC(CN1)C TS04327 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 CCc1[nH]cc(n1)C TS04212 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.1 CCc1[nH]cc(n1)C TS45131 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.1 CCc1nc(cs1)C TS36248 [1,0,0,0,0,0|0,0,2]=3 12 B8R1.18 CC1C(=NC(O1)C)C TS32019 [1,0,0,0,0,0|0,1,0]=2 13 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,0,0,0,0,0|0,1,2]=4 16 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.18 Cc1c(sc(n1)C)C TS36251 [1,0,0,0,0,0|0,0,2]=3 18 B8R1.18 Cc1c(sc(n1)N)C TS11966 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.18 Cc1c(sc(n1)S)C TS40347 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.58 Cc1c(sc(n1)C(C)C)C TS41540 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.8 CCCCC(C(=C)C)O TS36338 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.8 CCCCC(C)C(C)C TS05429 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.8 CCCCC(C)C(C)O TS05586 [0,0,1,0,0,0|1,1,1]=4 30 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,0,1,0,0,0|2,1,0]=4 31 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,0,1,0,0,0|2,1,0]=4 32 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.19 CCC(C)CC(C)CC TS05414 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.19 CCC(C)CC(CC)O TS36539 [0,0,1,0,0,0|1,1,1]=4 36 B8R0.19 CCC(C)NC(C)CC TS05494 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.19 CCC(C)OC(C)CC TS36540 [0,0,1,0,0,0|1,1,1]=4 38 B8R0.19 CCC(C)SC(C)CC TS40475 [0,0,1,0,0,0|1,0,1]=3 39 B8R0.22 CCC(OCC)OCC TS36694 [0,0,1,0,0,0|1,1,1]=4 40 B8R0.22 CCCC(CC)CCC TS05410 [0,0,1,0,0,0|2,0,1]=4 41 B10R1.8 CCC1OC(OC(O1)C)C TS07213 [0,0,0,0,0,1|1,1,1]=4 42 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [0,0,0,0,0,1|1,0,2]=4 43 B7R0.3 CCC(C)SCC=C TS05618 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.3 CCC=CC(C)CC TS31968 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.3 CCCCC(=C)CC TS04366 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.3 CCCCC(=CC)C TS04336 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.3 CCCCC(=O)CC TS04462 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.3 CCCCC(C)CC TS32121 [1,0,1,0,0,0|1,0,1]=4 49 B7R0.3 CCCNC(C)CC TS04555 [1,0,1,0,0,0|0,0,2]=4 50 B7R0.3 CCCSC(=O)CC TS05773 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.4 CCCC=CC(C)C TS04365 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.4 CCCCCC(=C)C TS04340 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.4 CCCCCC(=O)C TS32098 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.4 CCCSCC(=O)O TS05921 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.4 CCCSCC(C)C TS05789 [1,0,1,0,0,0|1,0,1]=4 56 B7R0.5 CCC=C(C)C(C)C TS31953 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.5 CCC=C(C)C(C)O TS04482 [1,0,1,0,0,0|0,1,1]=4 58 B7R0.5 CCCC(=C(C)C)C TS04362 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.5 CCCC(=C)C(C)C TS04341 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.5 CCCC(=O)C(C)C TS32114 [1,0,1,0,0,0|2,0,0]=4 61 B7R0.5 CCCC(C)C(=C)C TS31970 [1,0,1,0,0,0|1,0,0]=3 62 B7R0.5 CCCC(C)C(=O)C TS04464 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.5 CCCC(C)C(=O)Cl TS05952 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.5 CCCC(C)C(C)C TS04507 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.5 CCCC(C)C(C)O TS32245 [1,0,1,0,0,0|0,1,1]=4 66 B7R0.5 CCOC(=O)C(C)S TS05920 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.2 CCC(C)CC(C)C TS04502 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.2 CCC(CC(C)C)O TS32246 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.12 CCC(CC)N=C=S TS36441 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.12 CCC(CC)OC=O TS32223 [1,0,1,0,0,0|2,0,0]=4 71 B7R0.12 CCCC(CC)CC TS04503 [1,0,1,0,0,0|1,0,1]=4 72 B7R1.1 CCC1CCC=C1 TS03720 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.1 CCc1nccs1 TS32027 [2,0,0,0,0,0|0,0,2]=4 74 B7R1.2 Cc1cnc(s1)C TS32026 [2,0,0,0,0,0|0,0,2]=4 75 B7R1.2 Cc1csc(n1)C TS00648 [2,0,0,0,0,0|0,0,2]=4 76 B7R1.4 CC1C(=O)CCS1 TS04612 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.4 CC1CCC=C1C TS31386 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.4 Cc1c(scn1)C TS32025 [2,0,0,0,0,0|0,0,2]=4 79 B9R0.13 CCCCC(CC)C(=C)C TS06532 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.17 CCOC(C=CC)OCC TS06973 [0,1,1,0,0,0|1,1,0]=4 81 B9R0.17 CCSC(SCC)SCC TS18340 [0,1,1,0,0,0|1,0,1]=4 82 B9R1.21 CCc1cnc(s1)CC TS06618 [1,1,0,0,0,0|0,0,2]=4 83 B9R1.35 Cc1csc(n1)C(C)C TS06617 [1,1,0,0,0,0|0,0,2]=4 84 B9R1.36 CC1C(=O)OC(S1)(C)C TS40452 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.80 CC1C(=NC(S1)CC(C)C)C TS45359 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.80 Cc1c(sc(n1)CC(C)C)C TS45035 [0,2,0,0,0,0|0,0,2]=4 87 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,0,1,1,0,0|2,0,0]=4 88 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,0,1,1,0,0|2,0,0]=4 90 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,1,1,0,0|2,0,0]=4 91 B7R0.10 CCC(=C(C)CC)C TS04354 [0,0,1,0,1,0|1,0,1]=4 92 B7R0.10 CCC(=C(C)CC)C TS31959 [0,0,1,0,1,0|1,0,1]=4 93 B7R0.10 CCC(C(=O)CC)O TS32221 [0,0,1,0,1,0|1,1,0]=4 94 B7R0.10 CCC(C(C)C=O)S TS05778 [0,0,1,0,1,0|2,0,0]=4 95 B7R0.10 CCC(C(C)CO)S TS36877 [0,0,1,0,1,0|1,0,1]=4 96 B7R0.10 CCC(C)C(=C)CC TS04351 [0,0,1,0,1,0|1,0,1]=4 97 B7R0.10 CCC(C)C(=CC)C TS04350 [0,0,1,0,1,0|1,0,1]=4 98 B7R0.10 CCC(C)C(=O)CC TS04477 [0,0,1,0,1,0|2,0,0]=4 99 B7R0.10 CCC(C)C(C)C=C TS04364 [0,0,1,0,1,0|1,0,1]=4 100 B7R0.10 CCC(C)C(C)C=O TS04460 [0,0,1,0,1,0|2,0,0]=4 101 B7R0.10 CCC(C)C(C)CC TS04508 [0,0,1,0,1,0|1,0,1]=4 102 B7R0.10 CCC(C)C(CC)O TS04626 [0,0,1,0,1,0|0,1,1]=4 103 B9R0.24 CCC(C)SSC(C)CC TS14293 [0,0,1,0,0,1|1,0,1]=4 104 B9R1.34 CC1NC(SC(S1)C)C TS42643 [1,0,0,0,0,1|0,0,2]=4