0 B11R1.28 CCCNCC1=CC=CC=C1 a07316 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.28 OCCNCC1=CC=CC=C1 a05540 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 c05224 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.20 CCCC(=O)NC1=CC=CC(N)=C1 c04928 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.444 O=C(C[N+]1=CC=CC=C1)C2CC2 m07480 [0,0,0,1,0,0|2,0,0]=3 9 B11R1.16 CCNC(C)C1=CC=CC=C1 a05379 [0,0,0,0,1,0|2,0,1]=4 10 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 c03821 [0,0,0,0,0,1|1,0,0]=2 11 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [2,0,0,0,0,0|0,0,0]=2 13 B12R1.8 CCNCCCC1=CC=CC=C1 c03816 [1,1,0,0,0,0|1,0,1]=4 14 B12R1.30 CCCNC(C)C1=CC=CC=C1 a05707 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.252 CC(C)NCCC1=CC=CC=C1 c04038 [1,1,0,0,0,0|1,0,1]=4 16 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 c04001 [1,1,0,0,0,0|2,0,0]=4 17 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 c03085 [1,1,0,0,0,0|2,0,0]=4 18 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 c08844 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 c03111 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 c05262 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 c02629 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 a08692 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 c03252 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 c03083 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 c04930 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 c02408 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 c03591 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 c00859 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.371 O=C(CBr)NC1=CC=CC=C1F c03259 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.16 CCNC(=O)C1=CC=C(Cl)C=C1 c04047 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 e00681 [0,1,0,0,1,0|0,0,0]=2 33 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 c05403 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 c03587 [0,1,0,0,1,0|0,0,0]=2 35 B12R1.308 CCNC(=O)C1=C(Cl)C=CC=C1 c03926 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.308 CCNC(=O)C1=CC=CC=C1N c07571 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 c01719 [0,1,0,0,0,1|0,0,0]=2 38 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 c03815 [0,1,0,0,0,1|1,0,0]=3 39 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 c04944 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.954 CCCC(=O)NC1=CC=C(C#N)C=C1 a01142 [0,2,0,0,0,0|2,0,0]=4 41 B14R1.954 CCCC(=O)NC1=CC=C(OC)C=C1 e00348 [0,2,0,0,0,0|2,0,0]=4 42 B14R1.967 CCCC(=O)NC1=CC(Cl)=C(Br)C=C1 m09061 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.967 CCCC(=O)NC1=CC=C(Cl)C(N)=C1 c04817 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.950 CCCC(=O)NC1=CC(Cl)=CC=C1C e00335 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.952 CCCC(=O)NC1=CC(Cl)=CC(Cl)=C1 m09932 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.946 C=CCNC(=O)CC1=CC=CC=C1C c07463 [0,2,0,0,0,0|1,0,1]=4 47 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 c07747 [0,2,0,0,0,0|1,0,0]=3 48 B14R2.2899 O=C(NCC1=CC=CC=C1)C2CC2 a01053 [0,0,0,1,0,1|1,0,0]=3 49 B14R2.949 O=C(NC1=CC=C(Cl)C=C1)C2CC2 e00954 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.9059 O=C(NC1=CC(F)=CC=C1)C2CC2 c09405 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.9059 O=C(NC1=CC=CC(Cl)=C1)C2CC2 c00622 [0,1,0,1,0,0|2,0,0]=4 52 B14R2.4621 O=C(NC1=CC=CC=C1F)C2CC2 c09439 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [1,0,0,0,1,0|1,0,1]=4 54 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [1,0,0,0,1,0|2,0,0]=4