smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)N=C1CC=CC=C1S2	ZINC000000028150	560176872	/nfs/dbraw/zinc/17/68/72/560176872.db2.gz	QWXDTDWOYQPERX-UHFFFAOYSA-N	0	0	199.278	3.709	1	0	in-vitro	AHAFRN
CC(C)[C@H](C)C(C)(C)P(C)(C)=O	ZINC000005733442	166598002	/nfs/dbraw/zinc/59/80/02/166598002.db2.gz	QVUOCBYSYIICNY-VIFPVBQESA-N	0	0	190.267	3.680	1	0		AHAFRN
C=Cc1ccc2c(c1)C=CC(C)(C)O2	ZINC000015121236	166223317	/nfs/dbraw/zinc/22/33/17/166223317.db2.gz	IGPYBWWHHSNJDY-UHFFFAOYSA-N	0	0	186.254	3.514	1	0		AHAFRN
CCCCCC[C@@H](CC)OCC	ZINC000033833073	560088048	/nfs/dbraw/zinc/08/80/48/560088048.db2.gz	HUKVDGHSQKZLPS-LLVKDONJSA-N	0	0	172.312	3.772	1	0	biogenic,in-vitro	AHAFRN
C[C@@H]1CC=C(Cc2ccccc2)CC1	ZINC000043335465	171087572	/nfs/dbraw/zinc/08/75/72/171087572.db2.gz	SHZZQBOVKXENLY-GFCCVEGCSA-N	0	0	186.298	3.976	1	0		AHAFRN
CCCC[C@@H]1C=CCC=CC1	ZINC000059588898	560082434	/nfs/dbraw/zinc/08/24/34/560082434.db2.gz	IRKYSUMPMNRVDS-NSHDSACASA-N	0	0	150.265	3.699	1	0	biogenic,in-vitro	AHAFRN
CCCC=C1CCCCC1	ZINC000081145133	560076291	/nfs/dbraw/zinc/07/62/91/560076291.db2.gz	DVJPAIYXIZTKPM-UHFFFAOYSA-N	0	0	138.254	3.677	1	0	biogenic,in-vitro	AHAFRN
CC1=CC[C@@](C)(C(C)C)CC1	ZINC000085646412	560067053	/nfs/dbraw/zinc/06/70/53/560067053.db2.gz	SVANOSUTNCYVAT-LLVKDONJSA-N	0	0	152.281	3.779	1	0	biogenic,in-vitro	AHAFRN
CC1=CC=C2[C@]1(C)C=CCC2(C)C	ZINC000085967179	571792189	/nfs/dbraw/zinc/79/21/89/571792189.db2.gz	XOFDOXJFXCEFDE-CYBMUJFWSA-N	0	0	174.287	3.865	1	0	endogenous,in-man	AHAFRN
CC1=CC=C2[C@@]1(C)C=CCC2(C)C	ZINC000085967184	571792431	/nfs/dbraw/zinc/79/24/31/571792431.db2.gz	XOFDOXJFXCEFDE-ZDUSSCGKSA-N	0	0	174.287	3.865	1	0	endogenous,in-man	AHAFRN
CCCCc1nc(C)c(CCCC)o1	ZINC000095619766	166933437	/nfs/dbraw/zinc/93/34/37/166933437.db2.gz	GJYCWEFBUWYVBX-UHFFFAOYSA-N	0	0	195.306	3.668	1	0	endogenous,in-man	AHAFRN
C/C(=C\c1ccccc1)c1cccnc1	ZINC000103180826	166052289	/nfs/dbraw/zinc/05/22/89/166052289.db2.gz	ADHCWASZWROTMH-ZRDIBKRKSA-N	0	0	195.265	3.642	1	0		AHAFRN
C/C=C(\c1ccccc1)c1cccnc1	ZINC000103180832	166060452	/nfs/dbraw/zinc/06/04/52/166060452.db2.gz	YTKSUPBPLIJKCY-JLZUIIAYSA-N	0	0	195.265	3.533	1	0		AHAFRN
C=COC(=O)[C@@](C)(CC)CCC(C)C	ZINC000141865016	166212157	/nfs/dbraw/zinc/21/21/57/166212157.db2.gz	MFGZFJKMDLWEHE-LBPRGKRZSA-N	0	0	198.306	3.526	1	0		AHAFRN
C=COC(=O)[C@](C)(CC)CCC(C)C	ZINC000141865233	166212103	/nfs/dbraw/zinc/21/21/03/166212103.db2.gz	MFGZFJKMDLWEHE-GFCCVEGCSA-N	0	0	198.306	3.526	1	0		AHAFRN
CC(C)=CSC=C(C)C	ZINC000039270434	351499801	/nfs/dbraw/zinc/49/98/01/351499801.db2.gz	KSSWDYHDNFXVRM-UHFFFAOYSA-N	0	0	142.267	3.567	2	0		AHAFRN
Cc1cccc2c1C=C(C)CS2	ZINC000086862470	343656421	/nfs/dbraw/zinc/65/64/21/343656421.db2.gz	AGTHTSVUUHRLKE-UHFFFAOYSA-N	0	0	176.284	3.504	2	0		AHAFRN
O=NC(c1ccccc1)c1ccccc1	ZINC000100494581	351698299	/nfs/dbraw/zinc/69/82/99/351698299.db2.gz	HFIJNEVWEHTIIL-UHFFFAOYSA-N	0	0	197.237	3.542	2	0		AHAFRN
S=C1SCC=C1c1cccs1	ZINC000100495763	171145002	/nfs/dbraw/zinc/14/50/02/171145002.db2.gz	OMRNBTPRJFQCBV-UHFFFAOYSA-N	0	0	198.337	3.765	2	0		AHAFRN
CC(C)CCCCC/C=C/C=C=O	ZINC000198465007	487014268	/nfs/dbraw/zinc/01/42/68/487014268.db2.gz	XQBRDLLIQXYPOV-FNORWQNLSA-N	0	0	180.291	3.537	2	0		AHAFRN
C=Cc1ccc(CC2=CCC2)cc1	ZINC000205461492	344373274	/nfs/dbraw/zinc/37/32/74/344373274.db2.gz	QMSNKGVMFSYTHA-UHFFFAOYSA-N	0	0	170.255	3.592	2	0		AHAFRN
C[C@]1(c2cccs2)CC=CS1	ZINC000205468701	344373562	/nfs/dbraw/zinc/37/35/62/344373562.db2.gz	MIOVTOKDOVEEBZ-SECBINFHSA-N	0	0	182.313	3.614	2	0		AHAFRN
C[C@@]1(c2cccs2)CC=CS1	ZINC000205468713	344373674	/nfs/dbraw/zinc/37/36/74/344373674.db2.gz	MIOVTOKDOVEEBZ-VIFPVBQESA-N	0	0	182.313	3.614	2	0		AHAFRN