0 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [0,0,0,1,0,0|2,0,0]=3 1 B10R2.7 C1=CC2=C(C=N1)SC=C2 CS-0006104 [0,0,0,1,0,0|2,1,0]=4 2 B10R2.7 C1=CC2=C(C=NC=N2)N1 CS-W022388 [0,0,0,1,0,0|3,0,0]=4 3 B10R2.7 C1=CC2=C(N=C1)N=CO2 CS-0044085 [0,0,0,1,0,0|2,0,0]=3 4 B10R2.7 C1=CC2=CC=NN2C=C1 CS-B0647 [0,0,0,1,0,0|3,0,0]=4 5 B10R2.7 C1=CC=C2OC=NC2=C1 CS-W004722 [0,0,0,1,0,0|2,0,0]=3 6 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [0,0,0,1,0,0|1,0,2]=4 7 B10R2.7 C1=CC=C2SC=NC2=C1 CS-W013350 [0,0,0,1,0,0|2,1,0]=4 8 B7R1.1 O=CC1=CC=CS1 CS-W013657 [2,0,0,0,0,0|0,1,0]=3 9 B7R1.1 O=CC1=NC=CO1 CS-W006539 [2,0,0,0,0,0|1,0,0]=3 10 B9R1.11 NNC(=O)C1=CC=CO1 CS-M1764 [1,1,0,0,0,0|2,0,0]=4 11 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [0,1,0,0,0,1|1,0,0]=3 12 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [0,1,0,0,0,1|1,0,0]=3 13 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [0,1,0,0,0,1|2,0,0]=4 14 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [0,1,0,0,0,1|2,0,0]=4 15 B9R1.2 C=CC1=CC(Br)=CC=C1 CS-W015997 [0,0,1,1,0,0|2,0,0]=4 16 B9R1.2 C=CC1=CC(Cl)=CC=C1 CS-W011046 [0,0,1,1,0,0|2,0,0]=4 17 B9R1.2 C=CC1=CC(N)=CC=C1 CS-W011211 [0,0,1,1,0,0|2,0,0]=4 18 B9R1.2 CC1=CC(C=O)=NC=C1 CS-W008908 [0,0,1,1,0,0|2,0,0]=4 19 B9R1.2 CC1=CN=CC(C=O)=C1 CS-W019763 [0,0,1,1,0,0|2,0,0]=4 20 B9R1.2 CC1=NC(C=O)=CC=C1 CS-W007849 [0,0,1,1,0,0|2,0,0]=4 21 B9R1.2 N#CC1=CC=CC(O)=C1 CS-D1474 [0,0,1,1,0,0|1,0,1]=4 22 B9R1.2 O=CC1=CC(F)=CC=C1 CS-W013534 [0,0,1,1,0,0|1,0,0]=3 23 B9R1.2 O=CC1=CC=CC(Cl)=C1 CS-W019946 [0,0,1,1,0,0|1,0,0]=3 24 B9R1.15 C=CC1=CC=CC=C1Br CS-W017069 [0,0,1,1,0,0|2,0,0]=4 25 B9R1.15 C=CC1=CC=CC=C1Cl CS-W016485 [0,0,1,1,0,0|2,0,0]=4 26 B9R1.69 CC1=C(I)C=CC(O)=C1 CS-W019258 [0,0,1,1,0,0|1,0,1]=4 27 B9R1.69 CC1=C(O)C=C(O)C=C1 CS-W005468 [0,0,1,1,0,0|2,0,0]=4 28 B9R1.69 NC1=C(F)C=C(O)C=C1 CS-M3332 [0,0,1,1,0,0|2,0,0]=4 29 B9R1.69 NC1=C(F)C=CC(O)=C1 CS-W007503 [0,0,1,1,0,0|2,0,0]=4 30 B9R1.69 NC1=CC=C(O)C=C1Cl CS-W017237 [0,0,1,1,0,0|2,0,0]=4 31 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 CS-W005264 [0,0,1,1,0,0|2,0,0]=4 32 B9R1.69 OC1=CC=C(Cl)C(O)=C1 CS-W016374 [0,0,1,1,0,0|2,0,0]=4 33 B9R1.69 OC1=CC=C(F)C(F)=C1 CS-W020114 [0,0,1,1,0,0|2,0,0]=4 34 B9R1.69 OC1=CC=C(I)C(Cl)=C1 CS-0041410 [0,0,1,1,0,0|2,0,0]=4 35 B9R1.1 COC1=CC=C(Cl)C=C1 CS-W011015 [0,0,1,1,0,0|1,0,1]=4 36 B11R2.20 C1=CC2=CN=CC=C2N=C1 CS-W011109 [0,0,0,1,0,1|2,0,0]=4 37 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS-W013448 [0,0,0,1,0,1|2,0,0]=4 38 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS-B0780 [0,0,0,1,0,1|2,0,0]=4 39 B11R2.2 C1=CSC(C2=CC=CS2)=C1 CS-W008787 [0,1,0,1,0,0|0,2,0]=4 40 B11R2.106 BrC1=CC=NC2=C1C=CN2 CS-B0098 [0,1,0,1,0,0|2,0,0]=4 41 B11R2.106 ClC1=C2SC=CC2=NC=C1 CS-D0325 [0,1,0,1,0,0|1,1,0]=4 42 B11R2.106 FC1=CC=CC2=C1NC=C2 CS-W007613 [0,1,0,1,0,0|2,0,0]=4 43 B11R2.106 FC1=CC=NC2=C1C=CN2 CS-B0842 [0,1,0,1,0,0|2,0,0]=4 44 B11R2.106 OC1=C2C=CSC2=NC=C1 CS-W006794 [0,1,0,1,0,0|0,1,1]=4 45 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [0,1,0,1,0,0|2,0,0]=4 46 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [0,1,0,1,0,0|2,0,0]=4 47 B11R2.10 ClC1=NC2=CC=CC=C2O1 CS-0030558 [0,1,0,1,0,0|2,0,0]=4 48 B11R2.18 C1=CC=C2C=CC=C2C=C1 CS-0006517 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 CS-W004754 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.36 BrC1=CC2=C(C=CN2)N=C1 CS-W008287 [0,1,0,1,0,0|2,0,0]=4 51 B11R2.36 CC1=CC2=C(C=CN2)C=C1 CS-W007349 [0,1,0,1,0,0|2,0,0]=4 52 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS-W007384 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.36 NC1=CC=C2NC=CC2=C1 CS-W007509 [0,1,0,1,0,0|2,0,0]=4 54 B11R2.36 O=C1C=CC2=C(NC=C2)N1 CS-W023178 [0,1,0,1,0,0|2,0,0]=4