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26
91
heavy_atoms
int64
24
24
r1_hashisy
stringlengths
18
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"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC4=NC3=C(C=CC(=C3)Cl)S4"
24
"DAC2E62A2A9F4109"
"8BBDE39301A8BC31_B5815355B0C85D20_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3CCCC4=C3N=CC=C4"
24
"DAC2E62A2A9F4109"
"4F8FDF57B9A21099_31EDB30F2326540F_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC4(C)CC3=C(C=CC=C3)N4"
24
"DAC2E62A2A9F4109"
"69E9CD270C027D28_1DEA239E46793FB2_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(NC)C3=CC(=CC=C3)F"
24
"DAC2E62A2A9F4109"
"E145AD52D64B52A8_D0E6C205650086C8_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CCNCC3=CC=N[N]3CC"
24
"DAC2E62A2A9F4109"
"4E3B1BF23A614F17_DD1CB08A04FCBB3E_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC=CC(=C3)OC(C)C"
24
"DAC2E62A2A9F4109"
"825C4CAA5B0A15EB_2944A47C18D09788_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(CC3=C[N](C)N=C3)CN"
24
"DAC2E62A2A9F4109"
"5EA158C9A18AA937_DC3EA5281DC7D9A2_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CN=C(OC)C=C3OC"
24
"DAC2E62A2A9F4109"
"A0FA2E232704DE3C_75076894B5F84CB2_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(N(C)C)N=CC(=C3)Br"
24
"DAC2E62A2A9F4109"
"6BA45D8C4E83AB7D_87D6229397F7EBAC_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(CN)C3=C(C=CC=C3)Cl"
24
"DAC2E62A2A9F4109"
"765ED1881588162D_FC979855879A1962_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CC(=C(OC)C=C3)OC"
24
"DAC2E62A2A9F4109"
"C49C813F905AE579_A2AEA31A39C03786_6031_DP"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3CNCC4=C3C=CC=C4"
24
"DAC2E62A2A9F4109"
"BBCC3A923C45E2C3_4BBE71BB4024B630_6031_UN"
"O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(OC(C)C)C=CN=C3"
24
"DAC2E62A2A9F4109"
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