0 B17R2.2342 O=C(NCC1=NC=CN=C1)C2=CC=CC=C2 C91464 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(F)C=C2 AT17961 [0,1,0,0,0,0|0,0,0]=1 2 B18R2.257 O=C(OCC1=NC=C(Br)C=N1)C2=CC=CC=C2 AC2724 [0,1,0,0,0,0|2,0,0]=3 3 B18R2.257 O=C(OCC1=NC=C(Cl)C=N1)C2=CC=CC=C2 AC5276 [0,1,0,0,0,0|2,0,0]=3 4 B18R2.3634 C[C@H](N[C@@H](C)C1=CC=CC=C1)C2=CC=CC=C2 D75690 [0,1,0,0,0,0|2,0,1]=4 5 B18R2.4001 C\C(=N/CC1=CC=CC=C1)C2=C(O)C=CC=C2 11348 [0,1,0,0,0,0|2,0,0]=3 6 B18R2.6463 NC1=CC=CC(C(=O)NCC2=CN=CC=C2)=C1 F21110 [0,1,0,0,0,0|2,0,0]=3 7 B16R2.88 N[C@@H](CC1=CC=CN=C1)C2=CC=CC=C2 F50579 [0,0,0,0,1,0|2,0,1]=4 8 B16R2.88 N[C@@H](CC1=CC=NC=C1)C2=CC=CC=C2 F50580 [0,0,0,0,1,0|2,0,1]=4 9 B16R2.88 N[C@@H](CC1=NC=CC=C1)C2=CC=CC=C2 F50577 [0,0,0,0,1,0|2,0,1]=4 10 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=NC=C2 N12958 [0,0,0,0,1,0|1,0,0]=2 11 B16R2.88 O=C(CC1=NC=CC=C1)C2=CC=CC=C2 F50578 [0,0,0,0,1,0|1,0,0]=2 12 B18R2.2429 O=C(NC1=CC=NC=C1)OCC2=CC=CC=C2 D85769 [0,0,0,0,0,1|1,0,0]=2 13 B18R2.7189 O=C(\C=C\NC1=CC=CC=C1)C2=CC=CC=C2 S11376 [0,0,0,0,0,1|1,0,1]=3 14 B17R2.143 NC(CC1=CC=CC=C1)CC2=CC=CC=C2 E10206 [1,1,0,0,0,0|1,0,1]=4 15 B17R2.162 N#C[C@@H](CC1=CC=CC=C1)C2=CC=CC=C2 AC5923 [0,1,0,0,1,0|1,0,1]=4 16 B17R2.162 O\N=C(/CC1=CC=CC=C1)C2=CC=CC=C2 C16802 [0,1,0,0,1,0|0,0,1]=3 17 B17R2.192 CC1=CC=C([S@](=O)NC2=CC=CC=C2)C=C1 F15144 [0,1,0,0,1,0|2,0,0]=4 18 B17R2.192 O=C(CC1=CC=CC=C1)C2=NC=C(Cl)C=C2 N14255 [0,1,0,0,1,0|1,0,0]=3 19 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(F)C=C2 80632 [0,1,0,0,1,0|1,0,0]=3 20 B17R2.192 O=C(CC1=CN=CC=C1)C2=CC=C(Cl)C=C2 57880 [0,1,0,0,1,0|1,0,0]=3 21 B17R2.209 O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2 C16357 [0,1,0,0,1,0|1,0,0]=3 22 B17R2.3417 FC1=C(C(=S)NC2=CC=CC=C2)C=CC=C1 97986 [0,1,0,0,1,0|1,1,0]=4 23 B17R2.3417 NC1=C(C(=O)OC2=CC=CC=C2)C=CC=C1 T71535 [0,1,0,0,1,0|0,0,0]=2 24 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(Cl)C=CC=C2 83488 [0,1,0,0,1,0|1,0,0]=3 25 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(F)C=CC=C2 78467 [0,1,0,0,1,0|1,0,0]=3 26 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(Br)=CN=C2 N14273 [0,1,0,0,1,0|1,0,0]=3 27 B17R2.5273 O=C(CC1=CC=CC=C1)C2=NC=CC(Cl)=C2 N14252 [0,1,0,0,1,0|1,0,0]=3 28 B17R2.5273 O=C(CC1=CN=CC=C1)C2=CC=CC(Cl)=C2 57882 [0,1,0,0,1,0|1,0,0]=3 29 B17R2.5293 O=C(CC1=CC(F)=NC=C1)C2=CC=CC=C2 C92292 [0,1,0,0,1,0|1,0,0]=3 30 B17R2.5293 O=C(NC1=CC(Cl)=NC=C1)C2=CC=CC=C2 D81155 [0,1,0,0,1,0|2,0,0]=4 31 B17R2.10205 [2H]\C(C1=CC=CC=C1)=C(\[2H])C2=CC=CC=C2 D97936 [0,1,0,0,1,0|1,0,1]=4 32 B17R2.3231 O=C(OCC1=CC=CC=C1)C2=CC=C(F)O2 55269 [0,1,0,0,1,0|1,0,0]=3 33 B17R2.3231 O=C(OCC1=CC=CC=C1)N2C=C(I)C=N2 27995 [0,1,0,0,1,0|2,0,0]=4 34 B17R2.3283 NC1=CC=C(C(=O)NCC2=CC=CO2)C=C1 29647 [0,1,0,0,1,0|2,0,0]=4 35 B19R2.4385 O=C(NC1=NC=CC(I)=C1)OCC2=CC=CC=C2 CS3180 [0,1,0,0,0,1|1,0,0]=3 36 B19R2.4485 O=C(CCC1=CC=CC=C1)NC2=C(Br)C=CC=C2 C13230 [0,1,0,0,0,1|1,0,0]=3 37 B19R2.8924 N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 F15215 [0,1,0,0,0,1|1,0,0]=3 38 B19R2.8924 N[C@@H](CC1=CC=CC=C1)C(=O)NC2=NC=CC=C2 F15372 [0,1,0,0,0,1|2,0,0]=4 39 B19R2.8924 O=C(NC1=CC=CC=C1)[C@@H](O)CC2=CC=CC=C2 F15280 [0,1,0,0,0,1|1,0,0]=3 40 B19R2.4394 NC1=CC=CC(C(=O)NCCC2=CC=CC=C2)=C1 F21187 [0,1,0,0,0,1|1,0,0]=3 41 B19R2.11833 CC1=C(N)C=C(C(=O)OCC2=CC=CC=C2)C=C1 D87536 [0,2,0,0,0,0|0,0,0]=2 42 B19R2.12155 CC1=CC=C(S(=O)(=O)OCC2=CC=CC=C2)C=C1 S11580 [0,2,0,0,0,0|1,0,0]=3 43 B19R2.7669 CN(CC1=CC=CC=C1)C(=O)C2=CC(N)=CC=C2 F21190 [0,2,0,0,0,0|1,0,0]=3 44 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)O2)C=C1 54408 [0,0,0,1,1,0|1,0,0]=3 45 B19R3.294 O=C1CN(C2=CC=CC=C2)C3=C(C=CC=C3)N1 AT16902 [0,0,0,1,0,1|2,0,0]=4 46 B19R3.19255 C1=CC=C(CSC2=NC3=C(C=CC=C3)N2)C=C1 F15128 [0,0,0,1,0,1|1,1,0]=4 47 B19R3.27 C1=CC=C(C2=COC(C3=CC=CC=C3)=N2)C=C1 T71374 [0,0,0,1,0,1|1,0,1]=4 48 B19R3.27 C1=CC=C(C2=NO[C@H](C3=CC=CC=C3)C2)C=C1 N13330 [0,0,0,1,0,1|1,0,0]=3 49 B19R3.239436 O=C1N[C@H](C2=CC=C(Cl)C=C2)C3=C1C=CC=C3 F17324 [0,1,0,1,0,0|1,0,0]=3 50 B19R3.6048 O=C1C2=C(C=CC=C2)CCN1C3=CC=CC=C3 D85493 [0,1,0,1,0,0|2,0,0]=4 51 B19R3.182 O=C1C2=C(C=CC=C2)CN1CC3=CC=CC=C3 59725 [0,1,0,1,0,0|1,0,0]=3 52 B19R3.17406 O=C1C2=C(C=CC=C2)C(C3=CC=CC=C3)C1O C92581 [0,1,0,1,0,0|1,0,0]=3 53 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W18609 [1,0,0,0,1,0|1,0,0]=3 54 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CO2 N14290 [0,0,0,0,2,0|1,0,0]=3 55 B15R2.2226 O=C(C1=CN=CC=C1)C2=NC=CC=C2 C10337 [0,0,0,0,2,0|2,0,0]=4 56 B15R2.2226 O=[13C](C1=CC=CC=C1)C2=CC=CC=C2 D99418 [0,0,0,0,2,0|0,0,0]=2