0  B9R1.23  CC1=C(C)OC(CCl)=N1 AT18579 [0,0,0,0,0,0|1,1,2]=4
1  B9R1.23  CCC1=NN(C)C(Br)=N1 AT12550 [0,0,0,0,0,0|3,0,1]=4
2  B8R1.1  CC1=CN=C(CN)S1 32702 [1,0,0,0,0,0|1,0,2]=4
3  B8R1.1  CC[C@H]1CCC(=O)C1 W18649 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.1  CC[C@H]1CCC(=O)N1 D72846 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.18  CC1=NC(C)C(C)S1 A10763 [1,0,0,0,0,0|0,0,2]=3
6  B10R1.34  CCN1N=C(C)C(C)=C1N 89921 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.8  CCCCC(=O)[C@H](C)N D78735 [0,0,1,0,0,0|3,0,0]=4
8  B8R0.8  CCCC[C@H](C)C(C)C T70746 [0,0,1,0,0,0|2,0,1]=4
9  B7R0.5  CC(=O)[C@@H](C)CCBr AC2947 [1,0,1,0,0,0|2,0,0]=4
10  B7R0.7  CCS[C@@H](C)CC=O D86335 [1,0,1,0,0,0|2,0,0]=4
11  B7R1.2  CC1=N[C@@H](C)CS1 C92282 [2,0,0,0,0,0|0,0,2]=4
12  B9R1.7  CCSC1=NC(C)=CS1 H11517 [1,1,0,0,0,0|0,0,2]=4
13  B9R1.7  CNCC1=NC(C)=CS1 70492 [1,1,0,0,0,0|0,0,2]=4
14  B9R1.21  CCC1=NC(CBr)=CS1 AT15280 [1,1,0,0,0,0|0,0,2]=4
15  B9R1.21  CCC1=NC(CCl)=CS1 AT26679 [1,1,0,0,0,0|0,0,2]=4
16  B11R1.50  CCC1=NC(C)=C(C(C)=O)S1 AT14683 [0,2,0,0,0,0|0,0,2]=4
17  B9R1.6  CC(=O)[C@@H]1CCCCN1 F16683 [0,0,1,1,0,0|2,0,0]=4
18  B9R1.6  O=C(O)[C@@H]1CCCCS1 90959 [0,0,1,1,0,0|2,0,0]=4
19  B9R2.39  CC1=CC2CCC1C2 75573 [1,0,0,1,0,0|2,0,0]=4
20  B9R2.39  CC1CC2C=CC1C2 A10533 [1,0,0,1,0,0|2,0,0]=4
21  B9R2.7  O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,1,0|1,0,1]=4
22  B7R1.10  CCC1CC(=O)C1 P12513 [1,0,0,0,1,0|2,0,0]=4
23  B9R1.34  CC1CC(=O)CC(C)S1 89934 [1,0,0,0,0,1|2,0,0]=4