0 B30R4.41108128 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(C)(C)c4ccccc4 62a_100000703224_100016988314 [0,0,0,0,0,0|4,0,0]=4 1 B30R4.41108128 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(F)(F)c4ccccc4 62a_100009875531_100016988314 [0,0,0,0,0,0|4,0,0]=4 2 B30R4.41108128 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCS(=O)(=O)c4ccccc4 62a_100000240042_100016988314 [0,0,0,0,0,0|1,0,0]=1 3 B30R4.41108128 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SC[Si](C)(C)c4ccccc4 62a_100000038972_100016988314 [0,0,0,0,0,0|4,0,0]=4 4 B29R4.5631446 CC(CSc1ccc2[nH]cc(c2c1)C[C@H]3CCCN3C)c4ccccc4 62a_100000756946_100016988314 [1,0,0,0,0,0|3,0,0]=4 5 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccc4 62a_100000211460_100016988314 [1,0,0,0,0,0|2,0,0]=3 6 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccn4 62a_100000027445_100016988314 [1,0,0,0,0,0|3,0,0]=4 7 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4cccnc4 62a_100000757877_100016988314 [1,0,0,0,0,0|3,0,0]=4 8 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccncc4 62a_100000027454_100016988314 [1,0,0,0,0,0|3,0,0]=4 9 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(O)c4ccccc4 62a_100000185958_100016988314 [1,0,0,0,0,0|2,0,1]=4 10 B29R4.5631446 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SC[C@@H](O)c4ccccc4 62a_100011933945_100016988314 [1,0,0,0,0,0|2,0,1]=4 11 B31R4.93889519 Cc1ccc(cc1)S(=O)(=O)CSc2ccc3[nH]cc(c3c2)C[C@H]4CCCN4C 62a_100000183660_100016988314 [0,1,0,0,0,0|1,0,0]=2 12 B31R4.63231158 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCCS(=O)(=O)c4ccccc4 62a_100000229977_100016988314 [0,0,0,0,0,1|0,0,0]=1 13 B28R4.4641130 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCCc4ccccc4 62a_100000765856_100016988314 [2,0,0,0,0,0|2,0,0]=4 14 B28R4.4641130 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCSc4ccccc4 62a_100011218342_100016988314 [2,0,0,0,0,0|1,0,1]=4 15 B30R4.41116501 CC(Sc1ccc2[nH]cc(c2c1)C[C@H]3CCCN3C)C(=O)c4ccccc4 62a_100000239700_100016988314 [1,1,0,0,0,0|2,0,0]=4 16 B30R4.60005778 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccc(cc4)Br 62a_100000188085_100016988314 [1,1,0,0,0,0|2,0,0]=4 17 B30R4.60005778 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccc(cc4)Cl 62a_100000211071_100016988314 [1,1,0,0,0,0|2,0,0]=4 18 B30R4.60005778 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccc(cc4)F 62a_100000211279_100016988314 [1,1,0,0,0,0|2,0,0]=4 19 B30R4.60005778 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccc(cc4)I 62a_100011216261_100016988314 [1,1,0,0,0,0|2,0,0]=4 20 B30R4.60005778 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccc(cc4)O 62a_100009814261_100016988314 [1,1,0,0,0,0|2,0,0]=4 21 B30R4.60005778 Cc1ccc(cc1)C(=O)CSc2ccc3[nH]cc(c3c2)C[C@H]4CCCN4C 62a_100000211441_100016988314 [1,1,0,0,0,0|2,0,0]=4 22 B30R4.80173825 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccc4Br 62a_100000199116_100016988314 [1,1,0,0,0,0|2,0,0]=4 23 B30R4.80173825 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccc4Cl 62a_100000211432_100016988314 [1,1,0,0,0,0|2,0,0]=4 24 B30R4.80173825 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccc4F 62a_100000204681_100016988314 [1,1,0,0,0,0|2,0,0]=4 25 B30R4.80173825 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4ccccc4O 62a_100000188908_100016988314 [1,1,0,0,0,0|2,0,0]=4 26 B30R4.80173825 Cc1ccccc1C(=O)CSc2ccc3[nH]cc(c3c2)C[C@H]4CCCN4C 62a_100000741374_100016988314 [1,1,0,0,0,0|2,0,0]=4 27 B30R4.146086546 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4cccc(c4)Br 62a_100000212080_100016988314 [1,1,0,0,0,0|2,0,0]=4 28 B30R4.146086546 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4cccc(c4)Cl 62a_100000211444_100016988314 [1,1,0,0,0,0|2,0,0]=4 29 B30R4.146086546 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4cccc(c4)F 62a_100000215616_100016988314 [1,1,0,0,0,0|2,0,0]=4 30 B30R4.146086546 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)c4cccc(c4)O 62a_100009813753_100016988314 [1,1,0,0,0,0|2,0,0]=4 31 B30R4.146086546 Cc1cccc(c1)C(=O)CSc2ccc3[nH]cc(c3c2)C[C@H]4CCCN4C 62a_100000739480_100016988314 [1,1,0,0,0,0|2,0,0]=4 32 B32R4.82678614 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCCS(=O)(=O)c4ccc(cc4)Cl 62a_100000180198_100016988314 [0,1,0,0,0,1|0,0,0]=2 33 B32R4.82678614 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCCS(=O)(=O)c4ccc(cc4)F 62a_100011219840_100016988314 [0,1,0,0,0,1|0,0,0]=2 34 B32R4.55998732 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SC(F)(F)S(=O)(=O)c4ccccc4 62a_100000716911_100016988314 [0,2,0,0,0,0|1,0,0]=3 35 B30R4.247412184 CN(C)C1CCc2[nH]c3ccc(cc3c2C1)SCS(=O)(=O)c4ccccc4 62a_100000240042_100015193670 [0,0,1,1,0,0|1,0,0]=3 36 B28R4.4641129 CC(Cc1ccc2[nH]cc(c2c1)C[C@H]3CCCN3C)c4ccccc4 271570a_100000062452_100016988314 [1,0,0,0,1,0|2,0,0]=4 37 B30R4.41108130 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCCC(=O)c4ccccc4 62a_100000750707_100016988314 [1,0,0,0,0,1|1,0,0]=3 38 B30R4.41108130 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC[C@@H](O)c4ccccc4 62a_100000729684_100016988314 [1,0,0,0,0,1|1,0,1]=4 39 B30R4.41108130 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCOC(=O)c4ccccc4 62a_100000073877_100016988314 [1,0,0,0,0,1|2,0,0]=4 40 B30R4.41116502 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)Cc4ccccc4 62a_100000233483_100016988314 [1,0,0,0,0,1|2,0,0]=4 41 B30R4.41116502 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)Nc4ccccc4 62a_100012148978_100016988314 [1,0,0,0,0,1|2,0,0]=4 42 B30R4.41116502 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)SCC(=O)Oc4ccccc4 62a_100009813826_100016988314 [1,0,0,0,0,1|2,0,0]=4