0 B18R2.7189 N\C(=N/OCC1=CC=CC=C1)C2=CC=CC=C2 19417 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.7189 O=C(\C=C/NC1=CC=CC=C1)C2=CC=CC=C2 13276 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.7189 OC(CCCC1=CC=CC=C1)C2=CC=CC=C2 12059 [0,0,0,0,0,0|1,0,2]=3 3 B17R2.2382 C1=CC=C(NCCNC2=CC=CC=C2)C=C1 18676 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 102095 [1,0,0,0,0,0|1,0,2]=4 5 B19R2.8898 O=C(C#CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 11303 [0,1,0,0,0,0|1,0,2]=4 6 B19R2.8898 O=C(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2 16361 [0,1,0,0,0,0|1,0,1]=3 7 B19R2.8898 O=C(CCC(O)C1=CC=CC=C1)C2=CC=CC=C2 16377 [0,1,0,0,0,0|1,0,0]=2 8 B19R2.8898 O=C(\C=C\C(=O)C1=CC=CC=C1)C2=CC=CC=C2 16375 [0,1,0,0,0,0|1,0,2]=4 9 B19R2.11850 CC1=CC=C(N\C=C/C(=O)C2=CC=CC=C2)C=C1 13272 [0,1,0,0,0,0|2,0,1]=4 10 B19R2.11850 O=C(\C=C/NC1=CC=C(Br)C=C1)C2=CC=CC=C2 13273 [0,1,0,0,0,0|2,0,1]=4 11 B19R2.11850 O=C(\C=C/NC1=CC=C(Cl)C=C1)C2=CC=CC=C2 13277 [0,1,0,0,0,0|2,0,1]=4 12 B19R2.11850 O=C(\C=C\NC1=CC=C(Br)C=C1)C2=CC=CC=C2 13280 [0,1,0,0,0,0|2,0,1]=4 13 B19R2.11850 O=C(\C=C\NC1=CC=C(Cl)C=C1)C2=CC=CC=C2 13279 [0,1,0,0,0,0|2,0,1]=4 14 B19R2.11850 O=C(\C=C\NC1=CC=C(F)C=C1)C2=CC=CC=C2 13281 [0,1,0,0,0,0|2,0,1]=4 15 B19R2.16158 C\C(=C\NC1=CC=CC=C1)C(=O)C2=CC=CC=C2 13312 [0,1,0,0,0,0|2,0,1]=4 16 B19R2.49526 CC(O)(CCCC1=CC=CC=C1)C2=CC=CC=C2 12624 [0,1,0,0,0,0|1,0,2]=4 17 B19R3.27 C1=CC=C(C2=CC(C3=CC=CC=C3)CN2)C=C1 12607 [0,0,0,1,0,0|2,0,0]=3 18 B19R3.27 C1=CC=C(C2=CC(C3=CC=CC=C3)CN2)C=C1 12608 [0,0,0,1,0,0|2,0,0]=3 19 B19R3.27 C1=CC=C(C2=CC(C3=CC=CC=C3)N=N2)C=C1 20943 [0,0,0,1,0,0|3,0,0]=4 20 B19R3.27 C1=CC=C(C2=NCC(C3=CC=CC=C3)C2)C=C1 12606 [0,0,0,1,0,0|2,0,0]=3 21 B19R3.27 C1=CC=C(C2=NOC(C3=CC=CC=C3)C2)C=C1 12249 [0,0,0,1,0,0|3,0,0]=4 22 B19R3.27 C1=CC=C(C2C[NH2+]C(C3=CC=CC=C3)C2)C=C1 12611 [0,0,0,1,0,0|2,0,1]=4 23 B19R3.27 C1=CC=C(C2C[NH2+]C(C3=CC=CC=C3)C2)C=C1 12613 [0,0,0,1,0,0|2,0,1]=4 24 B19R3.9008 O=C1CCC(C2=CC=CC=C2)C3=CC=CC=C13 16216 [0,0,0,1,0,0|1,0,0]=2 25 B19R3.17443 O=C1OC(SC2=CC=CC=C2)C3=CC=CC=C13 16303 [0,0,0,1,0,0|1,0,0]=2 26 B19R3.202197 O=C(NC1CC2=CC=CC=C21)C3=CC=CC=C3 16606 [0,0,0,1,0,0|1,0,0]=2 27 B19R3.202197 O=C(\C=C1/CC2=CC=CC=C21)C3=CC=CC=C3 16655 [0,0,0,1,0,0|1,0,1]=3 28 B19R3.202197 O=C(\C=C1\CC2=CC=CC=C21)C3=CC=CC=C3 16654 [0,0,0,1,0,0|1,0,1]=3 29 B17R2.2342 BrC(=NNC1=CC=CC=C1)C2=CC=CC=C2 20149 [0,0,0,0,1,0|3,0,0]=4 30 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 19697 [0,0,0,0,1,0|1,0,0]=2 31 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 20618 [0,0,0,0,1,0|2,0,0]=3 32 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 103174 [0,0,0,0,1,0|0,0,2]=3 33 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 10787 [0,0,0,0,1,0|0,0,2]=3 34 B19R2.8899 O=C(NCSCC1=CC=CC=C1)C2=CC=CC=C2 21987 [0,0,0,0,0,1|1,0,0]=2 35 B19R2.8899 O=C(OC\C=C\C1=CC=CC=C1)C2=CC=CC=C2 12196 [0,0,0,0,0,1|0,0,1]=2 36 B19R2.8899 O=C(\C=C/NCC1=CC=CC=C1)C2=CC=CC=C2 13288 [0,0,0,0,0,1|1,0,1]=3 37 B18R2.253 O=C(\C=C\C1=CC=CC=C1)C2=CC=C(Cl)C=C2 19837 [0,1,0,0,1,0|0,0,2]=4 38 B18R2.257 NC1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1 11751 [0,1,0,0,1,0|0,0,2]=4 39 B18R2.257 O=C(C=CC1=CC=C(O)C=C1)C2=CC=CC=C2 13406 [0,1,0,0,1,0|0,0,2]=4 40 B18R2.257 [NH3+]C1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1 11734 [0,1,0,0,1,0|0,0,2]=4 41 B18R2.257 [NH3+]C1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1 11752 [0,1,0,0,1,0|0,0,2]=4 42 B18R2.3606 O=C\C(=C/NC1=CC=CC=C1)C2=CC=CC=C2 11882 [0,1,0,0,1,0|1,0,1]=4 43 B18R2.3606 O=C\C(=C/OC1=CC=CC=C1)C2=CC=CC=C2 11883 [0,1,0,0,1,0|1,0,1]=4 44 B18R2.3634 C[C@@H](NC(=O)C1=CC=CC=C1)C2=CC=CC=C2 19207 [0,1,0,0,1,0|1,0,0]=3 45 B18R2.3634 N\C(=C/C(=O)C1=CC=CC=C1)C2=CC=CC=C2 13299 [0,1,0,0,1,0|0,0,2]=4 46 B18R2.3990 CC1=C(CNC(=O)C2=CC=CC=C2)C=CC=C1 16418 [0,1,0,0,1,0|1,0,0]=3 47 B18R2.3990 CC1=C(CNC(=O)C2=CC=CC=C2)C=NC=C1 15650 [0,1,0,0,1,0|2,0,0]=4 48 B18R2.3990 O=C(\C=C\C1=CC=CC=C1F)C2=CC=CC=C2 18802 [0,1,0,0,1,0|0,0,2]=4 49 B18R2.6467 NC1=CC(C=CC(=O)C2=CC=CC=C2)=CC=C1 11747 [0,1,0,0,1,0|0,0,2]=4 50 B18R2.6467 NC1=CC=CC(NCC(=O)C2=CC=CC=C2)=C1 10904 [0,1,0,0,1,0|1,0,0]=3 51 B18R2.6467 [NH3+]C1=CC(C=CC(=O)C2=CC=CC=C2)=CC=C1 11748 [0,1,0,0,1,0|0,0,2]=4 52 B18R2.7204 O=C(C(=S)NC1=CC=CC=C1)C2=CC=CC=C2 1372 [0,1,0,0,1,0|1,0,1]=4 53 B20R2.15240 O=C(\C=C/NCC1=CC=C(F)C=C1)C2=CC=CC=C2 13290 [0,1,0,0,0,1|1,0,1]=4 54 B20R2.21596 C\C(=C\C(=O)C1=CC=CC=C1)NCC2=CC=CC=C2 13289 [0,1,0,0,0,1|1,0,1]=4 55 B20R2.174731 C\C(=C\NCC1=CC=CC=C1)C(=O)C2=CC=CC=C2 13313 [0,1,0,0,0,1|1,0,1]=4 56 B20R2.2160 O=C(CCC1=CC=CC=C1)\C(=N/O)C2=CC=CC=C2 11470 [0,2,0,0,0,0|1,0,1]=4 57 B20R2.170880 O=C(O)C(CCCC1=CC=CC=C1)C2=CC=CC=C2 12638 [0,2,0,0,0,0|1,0,1]=4 58 B20R2.15707 CC1=CC=C(S(=O)(=O)NCCC2=CC=CC=C2)C=C1 12313 [0,2,0,0,0,0|2,0,0]=4 59 B20R2.29394 CC(NC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2 13746 [0,2,0,0,0,0|1,0,1]=4 60 B18R3.2109 C1=CC=C(C2=NN(C3=CC=CC=C3)C2)C=C1 15438 [0,0,0,1,1,0|2,0,0]=4 61 B18R3.2123 C1=CC=C(C2CCC3=C(C=CC=C3)C2)C=C1 16690 [0,0,0,1,1,0|1,0,1]=4 62 B18R3.11551 CC1=CC(C2=CC=CC=C2)C3=CC=CC=C13 16632 [0,0,0,1,1,0|1,0,1]=4 63 B18R3.11551 ClC1=CC(C2=CC=CC=C2)C3=CC=CC=C13 16616 [0,0,0,1,1,0|1,0,1]=4 64 B18R3.11551 O=C1C=C(C2=CC=CC=C2)C3=CC=CC=C13 16630 [0,0,0,1,1,0|0,0,2]=4 65 B18R3.11551 O=C1CC(C2=CC=CC=C2)C3=CC=CC=C13 16623 [0,0,0,1,1,0|0,0,0]=2 66 B18R3.112707 O=C1C=CC2=CC=CC=C2C3=C1C=CC=C3 15114 [0,0,0,1,1,0|0,0,2]=4 67 B20R3.16085 O=C(CC1=CC=CC=C1)OC2CC3=CC=CC=C32 16174 [0,0,0,1,0,1|0,0,0]=2 68 B20R3.5150482 O=C(CC1(O)CC2=CC=CC=C21)C3=CC=CC=C3 16620 [0,1,0,1,0,0|1,0,0]=3 69 B16R2.2256 C1=CC=C(C=NNC2=CC=CC=C2)C=C1 20109 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 12621 [1,0,0,0,1,0|1,0,1]=4 71 B16R2.2256 C1=CC=C(\C=C\CC2=CC=CC=C2)C=C1 20292 [1,0,0,0,1,0|0,0,1]=3 72 B16R2.88 C\C(=N/C1=CC=CC=C1)C2=CC=CC=C2 19938 [0,0,0,0,2,0|2,0,0]=4 73 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 17196 [0,0,0,0,2,0|1,0,0]=3 74 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 19704 [0,0,0,0,2,0|0,0,0]=2 75 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 18655 [0,0,0,0,2,0|1,1,0]=4 76 B18R2.2525 C1=CC=C(CCNCCC2=CC=CC=C2)C=C1 11613 [1,0,0,0,0,1|1,0,1]=4