0  B22R3.25081035  C[N+](C)(C)CSc1c2ccccc2cc3c1cccc3 62a_200000036245_100000185772 [1,0,0,0,0,0|3,0,0]=4
1  B22R3.25081035  C[N+](C)(C)CSc1c2ccccc2nc3c1cccc3 62a_100000044299_200000036245 [1,0,0,0,0,0|3,0,0]=4
2  B22R3.82900161  C[C@@H](NC1c2ccccc2-c3c1cccc3)C(C)(C)C 2230a_100025703359_100000211598 [0,0,0,0,1,0|3,0,0]=4
3  B24R3.248812190  CN(Cc1c2ccccc2cc3c1cccc3)C[N+](C)(C)C 269982a_100000010331_200000036245 [0,0,0,0,0,1|3,0,0]=4
4  B24R3.249216736  C[C@@H](NCc1c2ccccc2nc3c1cccc3)C(C)(C)C 2230a_100025703359_100009813545 [0,0,0,0,0,1|3,0,0]=4
5  B21R2.38857  CC(C)(O)CCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000702414 [1,0,1,0,0,0|2,0,0]=4
6  B21R2.38857  C[N+](C)(C)CCNc1ccccc1Cc2ccccc2 34a_100000211252_100000085578 [1,0,1,0,0,0|1,0,0]=3
7  B21R2.38857  C[N+](C)(C)CCNc1ccccc1Cc2ccccc2 7a_100000211252_100000085578 [1,0,1,0,0,0|1,0,0]=3
8  B21R2.38857  C[N+](C)(C)CCNc1ccccc1Oc2ccccc2 34a_100000182328_100000085578 [1,0,1,0,0,0|0,1,0]=3
9  B21R2.38857  C[N+](C)(C)CCOc1ccccc1Cc2ccccc2 34a_100000211249_100000085578 [1,0,1,0,0,0|2,0,0]=4
10  B21R2.38857  C[N+](C)(C)CCOc1ccccc1Cc2ccccc2 7a_100000211249_100000085578 [1,0,1,0,0,0|2,0,0]=4
11  B21R2.38857  C[N+](C)(C)CCOc1ccccc1Oc2ccccc2 34a_100000074787_100000085578 [1,0,1,0,0,0|1,1,0]=4
12  B21R2.38857  C[N+](C)(C)CCOc1ccccc1Oc2ccccc2 7a_100000074787_100000085578 [1,0,1,0,0,0|1,1,0]=4
13  B21R2.38857  C[N+](C)(C)CCSc1ccccc1Cc2ccccc2 62a_100000085578_200011216382 [1,0,1,0,0,0|2,0,0]=4
14  B21R2.38857  C[N+](C)(C)CCSc1ccccc1Cc2ccccc2 62a_200011216382_100000085578 [1,0,1,0,0,0|2,0,0]=4
15  B21R2.38857  C[N+](C)(C)CCSc1ccccc1Nc2ccccc2 62a_100000085578_100009815782 [1,0,1,0,0,0|2,0,0]=4
16  B21R2.38857  C[N+](C)(C)CCSc1ccccc1Oc2ccccc2 62a_100000085578_100000049502 [1,0,1,0,0,0|1,1,0]=4
17  B25R3.444384353  CN(CC(=O)N1c2ccccc2Sc3c1cccc3)C(C)(C)C 269982a_100011215553_100000680705 [0,1,0,0,0,1|2,0,0]=4
18  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Cc2ccccc2 2230a_100000211252_100000032816 [0,0,1,0,0,1|2,0,0]=4
19  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Cc2ccccc2 34a_100000211252_100000032816 [0,0,1,0,0,1|2,0,0]=4
20  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Cc2ccccc2 7a_100000211252_100000032816 [0,0,1,0,0,1|2,0,0]=4
21  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Oc2ccccc2 2230a_100000182328_100000032816 [0,0,1,0,0,1|1,1,0]=4
22  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Oc2ccccc2 34a_100000182328_100000032816 [0,0,1,0,0,1|1,1,0]=4
23  B23R2.4726675  C[N+](C)(C)CC(O)CNc1ccccc1Sc2ccccc2 2230a_100000210917_100000032816 [0,0,1,0,0,1|1,0,0]=3
24  B23R3.434039265  C[N+](C)(C)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000085578 [1,0,0,0,0,1|2,0,0]=4
25  B23R3.434039265  C[N+](C)(C)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000085578 [1,0,0,0,0,1|1,1,0]=4
26  B23R3.434039265  C[N+](C)(C)CCSc1c2ccccc2cc3c1cccc3 62a_100000085578_100000185772 [1,0,0,0,0,1|2,0,0]=4
27  B23R3.434039265  C[N+](C)(C)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000085578 [1,0,0,0,0,1|2,0,0]=4
28  B23R3.434039265  C[N+](C)(C)CSCc1c2ccccc2cc3c1cccc3 62a_100009992879_200000036245 [1,0,0,0,0,1|2,0,0]=4
29  B23R3.434039265  C[N+](C)(C)CSCc1c2ccccc2cc3c1cccc3 62a_200000036245_100009992879 [1,0,0,0,0,1|2,0,0]=4
30  B23R3.434039265  C[N+](C)(C)CSCc1c2ccccc2nc3c1cccc3 62a_100009813545_200000036245 [1,0,0,0,0,1|2,0,0]=4