0  B4R0.1  CCN(C)C Molport-003-925-293 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CCN(C)C Molport-051-972-827 [0,0,0,0,0,0|3,0,0]=3
2  B3R0.2  CN(C)C Molport-000-883-876 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.2  CN(C)C Molport-003-939-725 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.2  CN(C)C Molport-051-610-872 [1,0,0,0,0,0|2,0,0]=3
5  B3R0.2  C[NH+](C)C Molport-006-114-731 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CCCN(C)C Molport-006-112-640 [0,1,0,0,0,0|3,0,0]=4
7  B5R0.1  CN(C)CCF Molport-051-781-971 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.1  CN(C)CCN Molport-001-769-719 [0,1,0,0,0,0|3,0,0]=4
9  B5R0.1  CN(C)CCN Molport-009-653-578 [0,1,0,0,0,0|3,0,0]=4
10  B5R0.1  CN(C)CCN Molport-047-918-246 [0,1,0,0,0,0|3,0,0]=4
11  B5R0.1  CN(C)CCN Molport-047-968-305 [0,1,0,0,0,0|3,0,0]=4
12  B5R0.3  CCN(C)CC Molport-003-930-047 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.2  CN(C)CC(=O)C Molport-001-793-984 [0,2,0,0,0,0|1,0,0]=3
14  B6R0.2  CN(C)CC(=O)N Molport-008-643-552 [0,2,0,0,0,0|2,0,0]=4
15  B6R0.2  CN(C)CC(=O)O Molport-001-792-053 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.2  CN(C)CC(=O)O Molport-003-355-838 [0,2,0,0,0,0|2,0,0]=4
17  B6R0.2  CN(C)CC(=O)[O-] Molport-006-122-573 [0,2,0,0,0,0|2,0,0]=4
18  B6R0.4  CSCCN(C)C Molport-001-764-898 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.4  CSCCN(C)C Molport-047-942-595 [0,2,0,0,0,0|2,0,0]=4
20  B4R1.2  CC1CO1 Molport-003-925-881 [1,0,0,1,0,0|0,1,1]=4
21  B4R1.2  CC1CO1 Molport-047-918-360 [1,0,0,1,0,0|0,1,1]=4
22  B4R1.2  C[C@@H]1CO1 Molport-003-936-224 [1,0,0,1,0,0|0,1,1]=4
23  B4R1.2  C[C@H]1CO1 Molport-003-936-223 [1,0,0,1,0,0|0,1,1]=4
24  B6R1.2  N=C1CCCN1 Molport-005-310-923 [0,1,0,1,0,0|2,0,0]=4
25  B6R1.2  O=C1CCCN1 Molport-003-928-391 [0,1,0,1,0,0|1,0,0]=3
26  B6R1.2  O=C1CCOC1 Molport-006-708-377 [0,1,0,1,0,0|0,1,0]=3
27  B6R1.2  O=C1OCCO1 Molport-003-925-305 [0,1,0,1,0,0|0,1,0]=3
28  B6R1.2  S=C1CCCN1 Molport-001-762-079 [0,1,0,1,0,0|1,1,0]=4
29  B6R1.3  CSCC1CO1 Molport-006-128-949 [0,1,0,1,0,0|0,0,2]=4
30  B6R1.5  CN1CC(=O)C1 Molport-019-878-973 [0,1,0,1,0,0|1,0,0]=3
31  B6R1.5  CN1CC(=O)C1 Molport-044-182-885 [0,1,0,1,0,0|1,0,0]=3
32  B6R1.11  NC(=O)C1CO1 Molport-003-847-615 [0,1,0,1,0,0|1,1,0]=4