0 B8R1.8 C1=C(NC=N1)CCN 8849 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.8 C1=CSC(=C1)CC#N 6135 [0,0,0,0,0,0|0,0,2]=2 2 B8R1.8 CCOC1=NC=CS1 6125 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 C1=C(N=CS1)CCl 8519 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.1 C1=COC(=C1)C#N 10551 [1,0,0,0,0,0|0,1,2]=4 5 B7R1.1 C1=CSC(=C1)C#N 6398 [1,0,0,0,0,0|0,0,2]=3 6 B7R1.1 C1=CSC(=C1)CN 6832 [1,0,0,0,0,0|0,0,0]=1 7 B7R1.1 C1=CSC(=N1)C=O 9389 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 c1cc(oc1)C=O F0018 [1,0,0,0,0,0|1,1,1]=4 10 B7R1.1 c1cc(oc1)CN F0590 [1,0,0,0,0,0|0,1,0]=2 11 B7R1.1 c1cc(sc1)C=O T0002 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 o1c(ccc1)CN F0591 [1,0,0,0,0,0|0,1,0]=2 13 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.8 C1=CC=NC(=C1)CCN 5251 [0,0,0,0,0,1|1,0,0]=2 18 B9R1.8 C1=CC=NC(=C1)CCO 9142 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.8 CCCC1=CC=NC=C1 8669 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.8 c1cnccc1CCN A0195 [0,0,0,0,0,1|1,0,0]=2 21 B9R1.8 c1cnccc1CCN P0148 [0,0,0,0,0,1|1,0,0]=2 22 B6R1.2 C1=C(NN=C1)N 5250 [2,0,0,0,0,0|2,0,0]=4 23 B6R1.2 C1=CON=C1N 6722 [2,0,0,0,0,0|2,0,0]=4 24 B6R1.2 C1=CSC(=C1)Br 5377 [2,0,0,0,0,0|1,0,0]=3 25 B6R1.2 C1=CSC(=C1)Cl 9477 [2,0,0,0,0,0|1,0,0]=3 26 B6R1.2 C1=CSC(=C1)I 9486 [2,0,0,0,0,0|1,0,0]=3 27 B6R1.2 C1=CSC(=N1)Br 5317 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 C1=CSC(=N1)N 6775 [2,0,0,0,0,0|1,0,0]=3 29 B6R1.2 C1=NN=C(S1)N 5215 [2,0,0,0,0,0|2,0,0]=4 30 B6R1.2 CC1=CC=CS1 8742 [2,0,0,0,0,0|0,0,0]=2 31 B6R1.2 CC1=CC=NN1 8083 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 CC1=CN=CN1 9563 [2,0,0,0,0,0|2,0,0]=4 33 B6R1.2 CC1=CSC=N1 8929 [2,0,0,0,0,0|2,0,0]=4 34 B6R1.2 Cc1cccs1 M0049 [2,0,0,0,0,0|0,0,0]=2 35 B8R1.1 C1=C(SC(=N1)Cl)CCl 9706 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,1,0,0,0,0|1,0,1]=4 37 B8R1.1 CCC1=NN=C(S1)N 10132 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,1,0,0,0,0|1,0,1]=4 39 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,1,0,0,0,0|1,0,1]=4 40 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,1,0,0,0,0|0,0,1]=3 41 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,1,0,0,0,0|0,0,1]=3 42 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,1,0,0,0,1|1,0,0]=3 46 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,1,0,0,0,1|1,0,0]=3 51 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [0,1,0,0,0,1|1,0,0]=3 53 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [0,1,0,0,0,1|1,0,0]=3 54 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,1,0,0,0,1|1,0,1]=4 56 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,1,0,0,0,1|1,0,1]=4 58 B10R1.17 CCNCC1=CC=NC=C1 8861 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.17 CNCCC1=CC=CC=N1 10522 [0,1,0,0,0,1|1,0,0]=3 60 B10R1.17 CNCCC1=CC=CC=N1 6724 [0,1,0,0,0,1|1,0,0]=3 61 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN 8454 [0,2,0,0,0,0|1,0,1]=4 62 B8R1.2 C1=CC(=CN=C1)CN 10146 [0,0,1,1,0,0|1,0,1]=4 63 B8R1.2 C1=CC=NC(=C1)CN 5496 [0,0,1,1,0,0|1,0,1]=4 64 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,0,0,1,0,1|2,0,0]=4