File: test_cluster1.smi

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rdkit 202503.1-5
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CHEMBL214_1	CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
CHEMBL214_2	Oc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
CHEMBL214_3	COc1ccccc1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2
CHEMBL214_4	C[C@H]1C[C@@H](CCN1C[C@H](O)COc2cccc3[nH]c(C)cc23)c4cc5c(F)cccc5s4
CHEMBL214_5	NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12
CHEMBL214_6	COc1ccccc1N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2
CHEMBL214_7	CCCN(CCCc1c[nH]c2ccc(F)cc12)C3COc4c(F)ccc(C(=O)NC)c4C3
CHEMBL214_8	O=C1NCc2ccc(OCCCCN3CCN(CC3)c4cccc5ccccc45)cc12
CHEMBL214_9	Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
CHEMBL214_10	Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
CHEMBL214_11	O=C1NCc2ccc(OCCCCN3CCN(CC3)c4cccc5CCCc45)cc12
CHEMBL214_12	Fc1cc2CNC(=O)c2cc1OCCCN3CCN(CC3)c4cccc5ccccc45
CHEMBL214_13	COc1ccccc1N2CCN(CCN(C(=O)C34CCC(I)(CC3)C4)c5ccccn5)CC2
CHEMBL214_14	Cl.Cl.Cl.COc1ccccc1N2CCN(CCN(C(=O)C3CCCCC3)c4ccccn4)CC2
CHEMBL214_15	COc1ccccc1N2CCN(CCN(C(=O)C34C5C6C3C7C4C5C67CF)c8ccccn8)CC2
CHEMBL214_16	Oc1ccccc1N2CCN(CCN(C(=O)C34C5C6C3C7C4C5C67CF)c8ccccn8)CC2
CHEMBL214_17	O=C(Nc1cccnc1)Nc2cccc(CCN3CCN(CC3)c4ccccc4)c2
CHEMBL214_18	O=C(N1CCC(CCN2CCN(CC2)c3nsc4ccccc34)CC1)c5occc5
CHEMBL339_2	CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]2CCN(C2)C3C4CCCC3CCC4
CHEMBL339_3	CCN1CCC[C@H]1CNC(=O)c2c(O)c(CCF)cc(OC)c2OC
CHEMBL339_4	CCN1CCC[C@H]1CNC(=O)c2cc(I)cc(OC)c2OC
CHEMBL339_5	CC(C)Oc1ccccc1N2CCN(Cc3ccc(CN4CCCCC4=O)n3C)CC2
CHEMBL339_6	CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CCc4cccc2c34)N(C)C1
CHEMBL339_7	OC(=O)C(=O)O.Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
CHEMBL339_8	COc1ccccc1N2CCN(Cc3ccc([nH]3)c4ccccc4)CC2
CHEMBL339_9	Fc1ccc(CN2CN(c3ccccc3)C4(CCN(CCCC(=O)c5ccc(F)cc5)CC4)C2=O)cc1
CHEMBL339_10	CCCN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
CHEMBL339_11	O=C1CCc2ccc(OCCCN3CCN(CC3)c4cccc5sccc45)cc2N1
CHEMBL339_12	O=C1Nc2cc(OCCCN3CCN(CC3)c4cccc5sccc45)ccc2C=C1
CHEMBL1946_1	CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23
CHEMBL1946_3	COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)C)c1
CHEMBL1946_4	COc1ccc2oc(Cc3ccccc3OC)c(CCNC(=O)C)c2c1
CHEMBL1946_5	CCC(=O)NC[C@@H]1C[C@H]1c2cccc3nc(CCCCc4ccccc4)oc23
CHEMBL1946_6	COc1ccc2[nH]cc(CCNC(=O)C)c2c1
CHEMBL1946_7	COc1cc2c(CCNC(=O)C)c(I)[nH]c2cc1[N+](=O)[O-]
CHEMBL1946_8	COc1ccc2[nH]cc(CCNC(=O)C)c2c1
CHEMBL1946_9	COc1ccc2cc(cc(CCNC(=O)C)c2c1)c3cccc(CBr)c3
CHEMBL1946_10	CCCC(=O)NCCCc1cc(OC)ccc1OCc2ccccc2
CHEMBL1946_11	CC(C)C1=C(CCNC(=O)C)c2c(C1)ccc3OCCc23
CHEMBL1946_12	CCNC(=O)NCCC1=C(Cc2ccc3OCCc3c12)C(C)C
CHEMBL1946_13	COc1ccc2cccc(\C=C\NC(=O)C)c2c1
CHEMBL1946_14	COc1ccc2cccc(CCC(=O)NS(=O)(=O)C)c2n1
CHEMBL1946_15	CCC(=O)NC[C@@H]1CCc2ccccc2[C@@H]1c3ccccc3
CHEMBL273_1	CCCN(CCC)[C@H]1CCc2cccc(C(=O)C)c2C1
CHEMBL273_2	COc1ccc2CCC(CCN3CCN(CC3)c4ccccn4)Cc2c1
CHEMBL273_3	CCCCN(CCCC)C(=O)c1cccc(CN2CCN(CC2)c3ccccc3OC(C)C)c1
CHEMBL273_4	CCCN(CCC)C1CCc2cccc(O)c2C1
CHEMBL273_5	COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2
CHEMBL273_6	Cl.Cl.COc1ccccc1N2CCN(CCNC(=O)C34C[C@H]5CC(C[C@@H]3C5)C4)CC2
CHEMBL273_7	Cl.Cl.COc1ccccc1N2CCN(CCNC(=O)C34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4)CC2
CHEMBL273_8	Cl.C(Cc1ccccc1)N2CCN(CC2)c3cccc4ccoc34
CHEMBL273_9	CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
CHEMBL273_10	CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CHEMBL273_11	COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2
CHEMBL273_12	CCCN(CCC)C1CCc2cccc(O)c2C1