0 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,0,0,0|1,0,3]=4 2 B8R1.4 NC1=CN=CC(Cl)=N1 DB02297 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.4 O=C1C=CNC(=O)N1 DB03419 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.4 [C@H]1(O)C=CN=C(O)N1 DB03939 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|1,0,0]=2 8 B7R1.3 NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|1,0,0]=2 9 B7R1.3 OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|0,0,0]=1 10 B7R1.3 SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.3 C=C1C=CC=C(C)[C@@H]1N DB03842 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.3 CC1=C(N)C=CC=C1F DB01986 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.3 CC1=CC=CC(O)=C1O DB03454 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 DB03836 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.34 NC1=CC(F)=CC(F)=C1 DB03238 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.69 C=C1C=NC(C)=NC1=N DB01788 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,1,0,0,0,0|0,0,0]=1 22 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.69 CC1=CN=C(C)N=C1N DB02372 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.4 CC1=[NH+]C=CN1C DB03789 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,1,1,0,0,0|2,0,0]=4 26 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,1,0,0,0,0|0,0,0]=2 27 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,1,0,0,0,0|1,0,0]=3 29 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [1,1,0,0,0,0|0,0,0]=2 30 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [1,1,0,0,0,0|1,0,0]=3 31 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.5 NC1=CC=CC=C1F DB02403 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.5 NC1=CC=CC=C1O DB01726 [1,1,0,0,0,0|0,0,0]=2 36 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,1,0,0,0,0|0,0,0]=2 37 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.5 OC1=CC=CC=C1O DB02232 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,2,0,0,0,0|1,0,1]=4 43 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br DB02417 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.118 CC1=CC(N)=C(N)C=C1C DB03180 [0,2,0,0,0,0|1,0,0]=3 46 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,0,1,1,0,0|2,0,0]=4 47 B6R1.2 CC1=CN=CN1 DB03385 [1,0,0,0,1,0|2,0,0]=4 48 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,0,1,0|1,0,0]=3 49 B6R1.2 CN1C=C[NH+]=C1 DB02671 [1,0,0,0,1,0|2,0,0]=4