0 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 CC1=NN(C)C=C1N BBL013092 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CC(O)=NO1 BBL033480 [1,0,0,0,0,0|1,0,1]=3 4 B7R1.2 CC1=CNC(C)=N1 BBL027875 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 CC1=NC(N)=NO1 BBL034965 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 CC1=NN(C)C=C1 BBL038742 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.2 CC1=NNC(N)=C1 BBL010620 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.2 CC1=NOC(N)=C1 BBL010138 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 CN1C=CC(N)=N1 BBL028677 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 NC1=CC(=O)CC1 BBL032125 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 NC1=CC(O)=NO1 BBL028339 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 NC1=CC([O-])=NO1 BBL036764 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 O=C1CCC(=O)C1 BBL011146 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.2 O=C1CNC(=O)N1 BBL013200 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 O=C1CNC(=S)N1 BBL037427 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 O=C1CNC(=S)S1 BBL029808 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.4 CC1=CC=NN1C BBL029437 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.22 CC1=CC(C)=NN1CO BBL012456 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.22 CC1=CC(C=O)=C(C)N1 BBL012646 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.22 CC1=CC(C=O)=C(C)S1 BBL039889 [0,1,0,0,0,0|0,1,1]=3 24 B9R1.22 CC1=NN(C)C(C#N)=C1 BBL039937 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.22 CC1=NN(C)C(C=O)=C1 BBL104313 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.22 CCN1N=C(C)C=C1N BBL039304 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.22 CN1C=C(Br)C=C1C=O BBL033385 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.23 CC1=CC(CN)=NN1C BBL039181 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.37 CC1=NN(C)C(C)=C1I BBL028829 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.37 CC1=NN(C)C(C)=C1N BBL012617 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.37 CC1=NN(C)C(N)=C1Cl BBL040979 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.37 CN1C(=O)C=C(N)C1=O BBL032267 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.37 O=C1OC(O)C(Br)=C1Br BBL011028 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.37 O=C1OC(O)C(Cl)=C1Cl BBL011015 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.38 CC1(C)NC(=O)NC1=O BBL010734 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,0,1,0,0,0|1,0,2]=4 37 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,0,1,0,0,0|1,0,1]=3 38 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,0,1,0,0,0|2,0,0]=3 39 B9R1.34 CC1=CC(=O)NC(=S)N1 BBL013188 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.34 CC1=CC(=O)NC(N)=N1 BBL005428 [0,0,0,0,0,1|2,0,1]=4 41 B9R1.34 CC1=CC(O)=CC(=O)O1 BBL008420 [0,0,0,0,0,1|1,0,2]=4 42 B9R1.34 CC1=NC(C)=NC(Cl)=C1 BBL028444 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.34 CC1=NC(N)=CC(=O)N1 BBL012601 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.69 CC1=CC(=O)C(O)=CO1 BBL034899 [0,0,0,0,0,1|1,0,1]=3 47 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,0,0,0,0,1|2,0,1]=4 48 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,0,0,0,0,1|1,0,2]=4 49 B9R1.69 CC1CNC(=O)NC1=O BBL027888 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.69 CN1N=C(Cl)C=CC1=O BBL029605 [0,0,0,0,0,1|3,0,0]=4 51 B6R0.1 C=CC(=O)OCC BBL011497 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.3 CNC(=O)C(C)N BBL012983 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.3 CNC(C)C(=O)O BBL022510 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.3 COC(=O)C(C)Cl BBL100013 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,0,1,0,0,0|1,0,1]=4 57 B6R1.2 O=C1C=CCC1 BBL100014 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,1,1,0,0,0|0,0,2]=4 60 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,1,0,0,0|1,0,1]=4 62 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,1,1,0,0,0|2,0,0]=4 63 B8R1.1 CN1C=CC(CN)=N1 BBL104303 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.50 CC1=C(Br)C(O)=NO1 BBL033323 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.50 CC1=NOC(C)=C1N BBL038495 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.50 O=C1COC(=O)C1Cl BBL011023 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.50 O=C1OCC(O)=C1Br BBL031583 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.11 CN1C=CC=C1C=O BBL001423 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 BBL028028 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.329 CC1=CC(=O)CC(C)(C)C1 BBL027346 [0,1,0,0,0,1|1,0,0]=3 71 B10R1.329 CC1=CC(=O)NS(=O)(=O)O1 BBL036697 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.176 COC1=NN(C)C(=O)C=C1 BBL033022 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.176 O=C1C=C(CCl)OC=C1O BBL010839 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.176 O=C1C=C(CO)OC=C1O BBL010645 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.34 CNC1=CC(=O)N(C)C1=O BBL010868 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.59 CC(=O)N1OC(N)=CC1=O BBL033446 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BBL014856 [0,2,0,0,0,0|0,0,1]=3 79 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BBL012869 [0,2,0,0,0,0|1,0,1]=4 80 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BBL014473 [0,2,0,0,0,0|0,0,1]=3 81 B10R1.256 CC1=C(Br)C(C=O)=C(C)N1 BBL033354 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.256 CC1=C(I)C(C=O)=C(C)N1 BBL033358 [0,2,0,0,0,0|1,0,1]=4 83 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,0,1,1,0,0|1,0,1]=4 84 B10R2.178 O=C1C=CC2COC1O2 BBL033827 [0,0,0,1,0,1|1,0,1]=4