0 B8R1.1 C1=C(SC=C1Br)C=O 8987 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=NC(=CS1)CO M0721 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 CC1=NOC(=C1)CO M0741 [0,0,0,0,0,0|3,1,0]=4 3 B8R1.1 CCC1=NN=C(S1)N 10132 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 C1=C(N=CS1)CCl 8519 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.1 C1=CN=C(N1)C=O 6465 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.1 C1=CSC(=C1)C#N 6398 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 C1=CSC(=C1)CN 6832 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 C1=CSC(=N1)C=O 9389 [1,0,0,0,0,0|1,0,1]=3 9 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 c1cc(oc1)CN F0590 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.1 c1cc(sc1)C=O T0002 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 o1c(ccc1)CN F0591 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.2 C1=C(N=C(S1)Br)Br 9503 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.2 CC1=CC(=NN1)C 10496 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CC1=CC(=NO1)C 9870 [1,0,0,0,0,0|2,1,0]=4 16 B7R1.2 CC1=CC=C(S1)Br 6601 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=CSC(=N1)C 6124 [1,0,0,0,0,0|0,0,0]=1 18 B7R1.2 CC1=CSC(=N1)N 9596 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.2 CC1=NSC(=N1)N 9028 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.2 CN1C=CC(=N1)N 6616 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CN1C=CC(=N1)N 9450 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 Cc1cc(n[nH]1)C D0196 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 Cc1csc(n1)C D0198 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.1 COC1=NC=C(C=C1)Br 9358 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.1 COC1=NC=C(C=C1)Br 9555 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.2 CC1=CC=CC(=N1)C#N 10417 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.2 CC1=CC=CC(=N1)C=O 10415 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.2 CC1=NC(=NC=C1)SC 8077 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.2 COC1=NC(=CC=C1)Br 6692 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [0,0,0,0,0,1|3,0,0]=4 41 B6R1.2 C1=C(N=CS1)Br 9723 [2,0,0,0,0,0|1,0,0]=3 42 B6R1.2 C1=CSC(=C1)Br 5377 [2,0,0,0,0,0|2,0,0]=4 43 B6R1.2 C1=CSC(=C1)Cl 9477 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 C1=CSC(=C1)I 9486 [2,0,0,0,0,0|2,0,0]=4 45 B6R1.2 C1=CSC(=N1)Br 5317 [2,0,0,0,0,0|1,0,0]=3 46 B6R1.2 C1=CSC(=N1)N 6775 [2,0,0,0,0,0|1,0,0]=3 47 B6R1.2 C1=CSC=C1Cl 9478 [2,0,0,0,0,0|2,0,0]=4 48 B6R1.2 C1=NN=C(S1)N 5215 [2,0,0,0,0,0|2,0,0]=4 49 B6R1.2 CC1=CC=CS1 8742 [2,0,0,0,0,0|1,0,0]=3 50 B6R1.2 CC1=CN=CN1 9563 [2,0,0,0,0,0|1,0,1]=4 51 B6R1.2 CC1=CSC=N1 8929 [2,0,0,0,0,0|0,0,0]=2 52 B6R1.2 CN1C=NC=N1 8972 [2,0,0,0,0,0|2,0,0]=4 53 B6R1.2 Cc1cccs1 M0049 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,1,0,0,0,0|1,0,1]=4 55 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,1,0,0,0,0|1,0,1]=4 56 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,1,0,0,0,0|0,0,1]=3 58 B8R1.8 C1=CSC(=C1)CC#N 6135 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.8 CCOC1=NC=CS1 6125 [1,1,0,0,0,0|0,0,0]=2 60 B8R1.11 CN1C=CN=C1CO 10537 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.172 COC1=CN=CC(=N1)OC 9384 [0,1,0,0,0,1|2,0,0]=4