0 B12R1.32 CCOC(=O)CC1=NC=CC=C1 CS-0020135 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=N1 CS-0049532 [0,1,0,0,0,0|1,0,0]=2 5 B13R1.20 CCOC(=O)CC1=CC(Br)=NC=C1 CS-B0980 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.20 CCOC(=O)CC1=NC(Cl)=CC=C1 CS-0042620 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 CS-W020454 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 CS-B0995 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.470 CCOC(=O)CC1=CC=CC=C1I CS-0041136 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.16 O=C(OCCl)C1=CC=CC=C1 CS-W004798 [0,0,0,0,1,0|1,0,0]=2 11 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 CS-0046880 [0,0,0,0,0,1|1,0,1]=3 12 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.8 BrCCCOCC1=CC=CC=C1 CS-W001590 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [1,1,0,0,0,0|0,0,1]=3 16 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 CS-B0171 [1,1,0,0,0,0|1,0,0]=3 18 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 CS-W005153 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.49 COC(=O)CC1=NC=C(O)C=N1 CS-0037240 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 CS-0092628 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [1,1,0,0,0,0|0,0,0]=2 22 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 CS-0037970 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.16 CCOC(=O)C1=CC=C(Br)N=C1 CS-W022712 [0,1,0,0,1,0|1,0,0]=3 26 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 CS-0045763 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 CS-W008149 [0,1,0,0,1,0|2,0,0]=4 28 B12R1.17 CCOC(=O)C1=CC(O)=NC=N1 CS-M1611 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS-W016933 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.308 CCOC(=O)C1=CC=NNC1=O CS-0061571 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.308 CCOC(=O)C1=CN=NC=C1C CS-0055253 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.31 CCOC(=O)CC1=CN=C(N)S1 CS-0042605 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.31 CCOC(=O)CN1C=C(Br)C=N1 CS-0045060 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 CS-0047066 [0,1,0,0,0,1|0,0,1]=3 36 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 CS-0044465 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 CS-W018907 [0,1,0,0,0,1|1,0,0]=3 38 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 CS-0047314 [0,1,0,0,0,1|1,0,0]=3 39 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 CS-W021127 [0,1,0,0,0,1|0,0,1]=3 40 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F CS-0046904 [0,1,0,0,0,1|0,0,1]=3 41 B14R1.756 [C@H](N)(CO)C(=O)OCC1=CC=CC=C1 CS-W010363 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.967 CCOC(=O)CC1=CC=C(F)C(N)=C1 CS-0040865 [0,2,0,0,0,0|0,0,0]=2 43 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 CS-M1308 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.19171 CCOC(=O)CC1=C(Cl)C=NC=C1Cl CS-0099842 [0,2,0,0,0,0|1,0,0]=3 45 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CS-0059145 [0,0,0,1,0,1|1,0,0]=3 49 B14R2.949 O=C(NC1=CC=C(I)C=C1)C2CC2 CS-0044980 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 CS-B0544 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 CS-M2638 [0,1,0,1,0,0|2,0,0]=4 52 B14R2.741 CN1CCC2=CC=CC=C2CC1=O CS-B0154 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.15 CCC(=O)C1=NC=CC=N1 CS-0054932 [1,0,0,0,1,0|2,0,0]=4 54 B10R1.11 CCOC(=O)C1=CNC=C1 CS-0037715 [0,0,0,0,2,0|1,0,0]=3 55 B10R1.11 CCOC(=O)C1=CNN=C1 CS-D1524 [0,0,0,0,2,0|2,0,0]=4 56 B10R1.11 CCOC(=O)C1=NC=CN1 CS-D1176 [0,0,0,0,2,0|2,0,0]=4 57 B10R1.11 CCOC(=O)C1=NC=CO1 CS-0044018 [0,0,0,0,2,0|2,0,0]=4 58 B10R1.11 CCOC(=O)C1=NC=CS1 CS-0097915 [0,0,0,0,2,0|2,0,0]=4 59 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 CS-0047024 [0,0,0,0,0,2|0,0,0]=2