smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC/C=C/C=C/C(=O)[O-]	ZINC000002023009	166849239	/nfs/dbraw/zinc/84/92/39/166849239.db2.gz	HQSBWLQFLLMPKC-BNFZFUHLSA-N	-1	0	196.290	3.544	10	30	in-vitro	AHEERM
CCCCCCCC/C=C/CC(=O)[O-]	ZINC000059675655	171184932	/nfs/dbraw/zinc/18/49/32/171184932.db2.gz	XZJZNZATFHOMSJ-MDZDMXLPSA-N	-1	0	198.306	3.768	10	30	in-vitro	AHEERM
CCCCCCCC/C=C\CC(=O)[O-]	ZINC000059724656	571967967	/nfs/dbraw/zinc/96/79/67/571967967.db2.gz	XZJZNZATFHOMSJ-KTKRTIGZSA-N	-1	0	198.306	3.768	10	30	in-vitro	AHEERM
CCCCCCC/C=C/CCC(=O)[O-]	ZINC000059727409	343347299	/nfs/dbraw/zinc/34/72/99/343347299.db2.gz	GCORITRBZMICMI-CMDGGOBGSA-N	-1	0	198.306	3.768	10	30	biogenic,in-vitro	AHEERM
CCCCCCC/C=C\CCC(=O)[O-]	ZINC000085504518	560074918	/nfs/dbraw/zinc/07/49/18/560074918.db2.gz	GCORITRBZMICMI-HJWRWDBZSA-N	-1	0	198.306	3.768	10	30	biogenic,in-vitro	AHEERM
C=C(C)C[C@](CC)(CCCC)C(=O)[O-]	ZINC000086340181	572918409	/nfs/dbraw/zinc/91/84/09/572918409.db2.gz	CGXSQPBOHGLPDB-LBPRGKRZSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=C(C)C[C@@](CC)(CCCC)C(=O)[O-]	ZINC000086340182	572918646	/nfs/dbraw/zinc/91/86/46/572918646.db2.gz	CGXSQPBOHGLPDB-GFCCVEGCSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CCC[C@](CC)(CCCC)C(=O)[O-]	ZINC000086340242	572919280	/nfs/dbraw/zinc/91/92/80/572919280.db2.gz	CHXGHZOUZRVVQM-GFCCVEGCSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CCC[C@@](CC)(CCCC)C(=O)[O-]	ZINC000086340244	572917821	/nfs/dbraw/zinc/91/78/21/572917821.db2.gz	CHXGHZOUZRVVQM-LBPRGKRZSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CC/C(=C/CCCCCC)C(=O)[O-]	ZINC000106400740	343738241	/nfs/dbraw/zinc/73/82/41/343738241.db2.gz	OXOZSXQOBXEEKW-KHPPLWFESA-N	-1	0	196.290	3.544	10	30		AHEERM
CCCC[CH]CCCCC	ZINC000112932024	572636527	/nfs/dbraw/zinc/63/65/27/572636527.db2.gz	XCCMPZCSTVVUEU-UHFFFAOYSA-N	-1	0	141.278	3.961	10	30		AHEERM
C=C(CCCCCCCCC)C(=O)[O-]	ZINC000112963715	572191821	/nfs/dbraw/zinc/19/18/21/572191821.db2.gz	DEDAWPIVFBLZMB-UHFFFAOYSA-N	-1	0	198.306	3.768	10	30		AHEERM
CCC[CH]CCCCC	ZINC000113017045	574044859	/nfs/dbraw/zinc/04/48/59/574044859.db2.gz	TYBXHTZKDWESNE-UHFFFAOYSA-N	-1	0	127.251	3.571	10	30		AHEERM
C=C[C@H](CCCCCCCC)C(=O)[O-]	ZINC000113269830	571777528	/nfs/dbraw/zinc/77/75/28/571777528.db2.gz	GXOXQGQKQSQBCV-LLVKDONJSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=C[C@@H](CCCCCCCC)C(=O)[O-]	ZINC000113269832	571777493	/nfs/dbraw/zinc/77/74/93/571777493.db2.gz	GXOXQGQKQSQBCV-NSHDSACASA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CCCCCCCC[C@H](C)C(=O)[O-]	ZINC000116433581	572112717	/nfs/dbraw/zinc/11/27/17/572112717.db2.gz	XTWJVMPEOYBUME-NSHDSACASA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CCCCCCCC[C@@H](C)C(=O)[O-]	ZINC000116433583	572686876	/nfs/dbraw/zinc/68/68/76/572686876.db2.gz	XTWJVMPEOYBUME-LLVKDONJSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CC[C@H](CCCCCCC)C(=O)[O-]	ZINC000116920262	572981202	/nfs/dbraw/zinc/98/12/02/572981202.db2.gz	CSBWPDXLVQSXKJ-LLVKDONJSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CC[C@@H](CCCCCCC)C(=O)[O-]	ZINC000116920265	572980139	/nfs/dbraw/zinc/98/01/39/572980139.db2.gz	CSBWPDXLVQSXKJ-NSHDSACASA-N	-1	0	198.306	3.624	10	30		AHEERM
CCCCCCC/C=C(/CC)C(=O)[O-]	ZINC000117059288	572371796	/nfs/dbraw/zinc/37/17/96/572371796.db2.gz	CKBANSOBPOXHMV-KHPPLWFESA-N	-1	0	198.306	3.768	10	30		AHEERM
C=CC/C(=C\CCCCCC)C(=O)[O-]	ZINC000117288051	572539596	/nfs/dbraw/zinc/53/95/96/572539596.db2.gz	OXOZSXQOBXEEKW-ZHACJKMWSA-N	-1	0	196.290	3.544	10	30		AHEERM
CCCCCCC/C(C)=C(\C)C(=O)[O-]	ZINC000142752268	573486591	/nfs/dbraw/zinc/48/65/91/573486591.db2.gz	KKWYTLCNNHKTGM-ZHACJKMWSA-N	-1	0	198.306	3.768	10	30		AHEERM
CCCCCCCC=C=CCC(=O)[O-]	ZINC000212534737	573240081	/nfs/dbraw/zinc/24/00/81/573240081.db2.gz	DKCXZSSFGPMHBI-UHFFFAOYSA-N	-1	0	196.290	3.533	10	30		AHEERM
C=C(C/C=C(\C)CCCCC)C(=O)[O-]	ZINC000238186936	572974276	/nfs/dbraw/zinc/97/42/76/572974276.db2.gz	VXDNRGLZSCZJEO-CSKARUKUSA-N	-1	0	196.290	3.544	10	30		AHEERM
CCCCCC/C=C/C(C)(C)C(=O)[O-]	ZINC000238187595	572976259	/nfs/dbraw/zinc/97/62/59/572976259.db2.gz	TVQGOYIJWXJYBL-MDZDMXLPSA-N	-1	0	198.306	3.624	10	30		AHEERM
C=CC(CCCC)(CCCC)C(=O)[O-]	ZINC000238231661	573468197	/nfs/dbraw/zinc/46/81/97/573468197.db2.gz	LONABZPHALMDSD-UHFFFAOYSA-N	-1	0	198.306	3.624	10	30		AHEERM
CCCCCC/C=C\C(C)(C)C(=O)[O-]	ZINC000308278344	573132687	/nfs/dbraw/zinc/13/26/87/573132687.db2.gz	TVQGOYIJWXJYBL-KTKRTIGZSA-N	-1	0	198.306	3.624	10	30		AHEERM
CCCCCC/C=C/[C@H](C)CC(=O)[O-]	ZINC000308280932	573139154	/nfs/dbraw/zinc/13/91/54/573139154.db2.gz	YMMPJOZAWPTSRW-FBOQAHMBSA-N	-1	0	198.306	3.624	10	30		AHEERM
CCCCCC/C=C\[C@H](C)CC(=O)[O-]	ZINC000308280933	573138438	/nfs/dbraw/zinc/13/84/38/573138438.db2.gz	YMMPJOZAWPTSRW-IQQGHNRFSA-N	-1	0	198.306	3.624	10	30		AHEERM
CCCCCC/C=C\[C@@H](C)CC(=O)[O-]	ZINC000308280934	573138004	/nfs/dbraw/zinc/13/80/04/573138004.db2.gz	YMMPJOZAWPTSRW-TYBABMIJSA-N	-1	0	198.306	3.624	10	30		AHEERM