0 B12R1.32 CCOC(=O)NC1=NC=CC=C1 374623 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 CCCSCC1=CC=CC=C1 094802 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.19 CCOC(=O)NC1=NC=C(C)C=C1 180469 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 241884 [0,1,0,0,0,0|0,0,0]=1 6 B13R1.20 CCOC(=O)NC1=NC(C)=CC=C1 180468 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.470 O=C(CCCl)NC1=C(O)C=CC=C1 180712 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.42 CCCC(C)SCC1=CC=CC=C1 094720 [0,0,0,0,0,1|2,0,1]=4 9 B10R1.17 CCCCC1=CC=CC=N1 180367 [2,0,0,0,0,0|1,0,1]=4 10 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.1 CCCNCC1=CC=C(C)C=C1 523051 [1,1,0,0,0,0|2,0,0]=4 14 B12R1.8 CCCOCCC1=NC=CC=C1 032564 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.8 CCOCCSC1=NC=CC=C1 097670 [1,1,0,0,0,0|1,0,1]=4 16 B12R1.27 CCC(C)SCC1=CC=CC=C1 094712 [1,1,0,0,0,0|2,0,0]=4 17 B12R1.30 CCONC(=O)C1=CC=CC=C1 180306 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.252 CC(C)OCCC1=NC=CC=C1 180314 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.267 CCCNCC1=CC=CC=C1C 042936 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 105181 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.43 CC(C)C(=O)SC1=CC=CC=C1 180471 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 024109 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.50 CNC(=O)CC1=CC(Cl)=CC=C1 105123 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 505690 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.60 CCOC(=O)C(C)SC1=NC=CC=C1 097848 [0,1,0,0,0,1|1,0,0]=3 27 B14R1.598 CCOC(=O)CSC1=C(Cl)C=CC=C1 094609 [0,1,0,0,0,1|0,0,0]=2 28 B14R1.818 CC(Cl)OC(=O)OCC1=CC=CC=C1 098785 [0,1,0,0,0,1|0,0,0]=2 29 B14R1.6823 CCOC(=O)CC1=C(Br)C=C(F)C=C1 094489 [0,2,0,0,0,0|0,0,0]=2 30 B14R1.6823 CCOC(=O)CC1=C(Cl)C=C(Cl)C=C1 017446 [0,2,0,0,0,0|0,0,0]=2 31 B14R1.36 CCOC(=O)C(=O)C1=CC(Cl)=CC=C1 023000 [0,2,0,0,0,0|0,0,1]=3 32 B14R1.952 CCOC(=O)NC1=CC(C)=CC(C)=N1 180643 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1F 043388 [0,2,0,0,0,0|0,0,1]=3 34 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 224325 [0,2,0,0,0,0|2,0,0]=4 35 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 079039 [0,2,0,0,0,0|2,0,0]=4 36 B12R2.41 C1=CC=C2CNCCCC2=C1 078034 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 092771 [0,0,0,1,1,0|2,0,0]=4 38 B14R2.287 CC1=NNC(=O)CC2=C1C=CC=C2 180392 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.27 COC(=O)CC1=NC=CN1 046350 [1,0,0,0,1,0|2,0,0]=4