0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 BBL012139 [0,0,0,0,0,0|0,1,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 BBL012138 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 BBL021595 [0,1,0,0,0,0|0,0,0]=1 3 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 BBL012140 [0,1,0,0,0,0|0,1,0]=2 4 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 BBL030848 [0,1,0,0,0,0|0,1,0]=2 5 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 BBL030252 [0,1,0,0,0,0|0,0,0]=1 6 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 BBL010424 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,0,0,0,0,1|2,0,0]=3 8 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBL040922 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BBL039387 [0,0,0,0,0,1|2,0,1]=4 10 B10R1.66 O=C(Cl)\C=C\C1=CC=CO1 BBL037199 [1,0,1,0,0,0|1,1,0]=4 11 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [1,0,1,0,0,0|0,1,0]=3 12 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [1,0,1,0,0,0|0,0,0]=2 13 B10R1.66 O=C(O)\C=C\C1=CNC=N1 BBL027507 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.31 N#CC1=CNC(C(=O)O)=C1 BBL025905 [1,0,1,0,0,0|1,0,1]=4 15 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 BBL008024 [0,1,0,0,0,1|2,0,0]=4 16 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 BBL010464 [0,1,0,0,0,1|2,0,0]=4 17 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O BBL037991 [0,1,0,0,0,1|2,0,0]=4 18 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 BBL011817 [0,1,0,0,0,1|2,0,0]=4 19 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBL015172 [0,1,0,0,0,1|2,0,0]=4 20 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 BBL037008 [0,1,0,0,0,1|1,0,0]=3 21 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 BBL012476 [0,1,0,0,0,1|2,0,0]=4 22 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BBL014286 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.450 O=C(O)C1=NC2=CC=CC=C2N1O BBL034944 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 BBL036219 [0,1,0,0,0,1|2,0,0]=4 25 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 BBL036127 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BBL022372 [0,1,0,0,0,1|1,0,0]=3 27 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BBL022340 [0,1,0,0,0,1|1,0,0]=3 28 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BBL022460 [0,1,0,0,0,1|1,0,0]=3 29 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 BBL009658 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BBL011977 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 BBL001474 [0,1,0,0,0,1|1,0,0]=3 32 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 BBL030761 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BBL012513 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 BBL030571 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BBL022253 [0,1,0,0,0,1|1,0,0]=3 36 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 BBL030767 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.23 NC(C(=O)O)C1=CC=CS1 BBL020456 [0,0,1,0,1,0|0,0,1]=3 38 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,0,1,0,0,1|2,0,0]=4 39 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,0,1,0,0,1|2,0,0]=4 40 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,0,1,0,0,1|2,0,0]=4 41 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,0,1,0,0,1|2,0,0]=4 42 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,0,1,0,0,1|2,0,0]=4 43 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,0,1,0,0,1|2,0,0]=4 44 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,0,1,0,0,1|2,0,0]=4 45 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [0,0,1,0,0,1|2,0,0]=4 46 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [1,0,0,0,0,1|2,0,0]=4 47 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BBL028382 [0,0,0,0,0,2|2,0,0]=4 48 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 BBL029360 [0,0,0,0,0,2|2,0,0]=4 49 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BBL033744 [0,0,0,0,0,2|2,0,0]=4