0 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl 6023 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.59 CC1=C(SC(=N1)C)C(=O)O 8236 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl 10677 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CN1C=C(C=N1)C(=O)O 5080 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.41 C1=CSC(=C1N)C(=O)N 6479 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.41 Cc1ccoc1C(=O)O M0024 [1,0,0,0,0,0|2,1,0]=4 14 B11R1.646 Cc1c(sc(n1)C)S(=O)(=O)Cl D1459 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C 6658 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Cl 6505 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.1 CN1C=C(C=N1)C=O 8131 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.11 CC1=C(SC=N1)C=O 8622 [2,0,0,0,0,0|0,0,0]=2 19 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.7 CC(=O)C1=CC=CS1 8482 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.7 CC(=O)C1=CC=CS1 8660 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.7 CC(=O)C1=NC=CS1 10337 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.14 COC(=O)C1=CN=C(S1)N 6734 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.149 COC(=O)C1=C(C=CS1)N 5465 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.149 COC(=O)C1=C(C=CS1)O 10625 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl 8244 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.313 CCOC(=O)C1=C(N=C(S1)C)C 8335 [0,2,0,0,0,0|0,0,0]=2 30 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,0,1,1,0,0|1,0,1]=4 31 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,0,0,1,0,1|2,0,0]=4 32 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,0,0,0,0,1|2,0,0]=4 33 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [1,0,0,0,0,1|2,0,0]=4