0 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CS-M2655 [0,0,1,0,0,0|0,0,2]=3 1 B11R1.35 [C@@H](N)(CC1=CC=CO1)C(=O)O CS-0043946 [0,0,1,0,0,0|0,1,2]=4 2 B13R2.430 O=C(O)C1=CC2=C(N=C1)NN=C2 CS-W021332 [0,0,0,0,0,1|3,0,0]=4 3 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 CS-D0343 [0,0,0,0,0,1|2,1,0]=4 4 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 CS-D0709 [0,0,0,0,0,1|2,0,0]=3 5 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,0,0,0,0,1|3,0,0]=4 6 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,0,0,0,0,1|2,0,0]=3 8 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-0037560 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CS-W022940 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,0,0,0,0,1|1,0,2]=4 11 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [1,0,1,0,0,0|1,0,0]=3 12 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 CS-0090431 [0,1,1,0,0,0|1,0,1]=4 13 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Br)S2 CS-W005489 [0,1,0,0,0,1|2,0,0]=4 14 B14R2.624 O=C(O)C1=CC2=C(C=C1Cl)NC=C2 CS-0042962 [0,1,0,0,0,1|2,0,0]=4 15 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 CS-D1099 [0,1,0,0,0,1|2,0,0]=4 16 B14R2.966 COC(=O)C1=CC=C2SC=CC2=C1 CS-0056757 [0,1,0,0,0,1|1,0,0]=3 17 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 CS-D0708 [0,1,0,0,0,1|2,0,0]=4 18 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl CS-M2751 [0,1,0,0,0,1|2,0,0]=4 19 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS-W007740 [0,1,0,0,0,1|1,0,0]=3 20 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 CS-0044445 [0,1,0,0,0,1|2,0,0]=4 21 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 CS-M2632 [0,1,0,0,0,1|1,0,0]=3 22 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 CS-0043114 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 CS-W007370 [0,1,0,0,0,1|1,0,0]=3 24 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 CS-0081874 [0,1,0,0,0,1|1,0,0]=3 25 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 CS-0033871 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 CS-0005588 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 CS-0034958 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 CS-0102742 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 CS-0042145 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 CS-W018766 [0,2,0,0,0,0|0,0,0]=2 31 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,0,1,0,0,1|2,0,0]=4 32 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,0,1,0,0,1|2,0,0]=4 33 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 CS-0058435 [1,0,0,0,0,1|1,0,0]=3 34 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [1,0,0,0,0,1|1,0,0]=3 35 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [1,0,0,0,0,1|2,0,0]=4 36 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [1,0,0,0,0,1|2,0,0]=4 37 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS-W000833 [1,0,0,0,0,1|2,0,0]=4 38 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS-W007437 [0,0,0,0,0,2|2,0,0]=4 39 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 CS-W004855 [0,0,0,0,0,2|2,0,0]=4 40 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS-W002071 [0,0,0,0,0,2|1,0,1]=4