0 B5R0.4 C=CC(C)(C)N Z2940715337 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.4 CCS(=O)(=O)N Z54886646 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.4 CNS(=O)(=O)C Z54078255 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.4 CNS(=O)(=O)N Z56762361 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.4 COS(=O)(=O)C Z133684226 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.4 COS(=O)(=O)N Z300238034 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.4 CS(=O)(=O)NN Z283687760 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.3 CS(=O)(=O)C Z417007936 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.3 CS(=O)(=O)F Z361886230 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.3 CS(=O)(=O)N Z54080282 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.3 CS(=O)(=O)O Z281776238 [1,0,0,0,0,0|0,0,1]=2 22 B4R0.3 O=P(O)(O)F Z1255360409 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|0,0,2]=3 30 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|0,0,3]=4 33 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,1,0,0,0,0|0,0,3]=4 35 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.8 COS(=O)(=O)OC Z104473216 [0,1,0,0,0,0|1,0,1]=3 41 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|1,0,2]=4 42 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,0]=3 43 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|0,0,2]=4 53 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.11 C=CCS(=O)(=O)CC Z1255502034 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.17 O=S(=O)(O)C(F)(F)F Z104509352 [0,2,0,0,0,0|1,0,1]=4 61 B7R1.14 O=S1(=O)CC=CC1 Z57161872 [0,1,0,1,0,0|1,0,0]=3