smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)[C@H](O)[S-]	95618226	571797569	/nfs/dbraw/zinc/79/75/69/571797569.db2.gz	MRVKDGZLSALAIU-RFZPGFLSSA-N	-1	3	120.217	1.281	1	30	endogenous,in-man	ADEFHM
CC[C@@H](C)[C@@H](O)[S-]	95618224	571797598	/nfs/dbraw/zinc/79/75/98/571797598.db2.gz	MRVKDGZLSALAIU-UHNVWZDZSA-N	-1	3	120.217	1.281	1	30	endogenous,in-man	ADEFHM
CC[C@H](C)[C@@H](O)[S-]	95618225	571797612	/nfs/dbraw/zinc/79/76/12/571797612.db2.gz	MRVKDGZLSALAIU-WHFBIAKZSA-N	-1	3	120.217	1.281	1	30	endogenous,in-man	ADEFHM
CC[C@H](C)[C@H](O)[S-]	95618227	571797627	/nfs/dbraw/zinc/79/76/27/571797627.db2.gz	MRVKDGZLSALAIU-CRCLSJGQSA-N	-1	3	120.217	1.281	1	30	endogenous,in-man	ADEFHM
CC(=O)N([O-])CCCc1ccccc1	40505209	166253736	/nfs/dbraw/zinc/25/37/36/166253736.db2.gz	BTOKDWSLEUQWED-UHFFFAOYSA-N	-1	3	193.246	1.857	1	30		ADEFHM
Nc1ccc2c(c1)S[C@@H]([S-])N2	45288119	169294280	/nfs/dbraw/zinc/29/42/80/169294280.db2.gz	WIAQCBUPOZWCAX-SSDOTTSWSA-N	-1	3	184.289	2.000	1	30		ADEFHM
Nc1ccc2c(c1)S[C@H]([S-])N2	45288117	169294335	/nfs/dbraw/zinc/29/43/35/169294335.db2.gz	WIAQCBUPOZWCAX-ZETCQYMHSA-N	-1	3	184.289	2.000	1	30		ADEFHM
O=C1O[C@H]2CCCC[C@H]2C([O-])=C1O	100784244	169365946	/nfs/dbraw/zinc/36/59/46/169365946.db2.gz	IUDHDJWIYCLTIJ-RITPCOANSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1C(O)=C([O-])O[C@H]2CCCC[C@@H]12	100784244	169365947	/nfs/dbraw/zinc/36/59/47/169365947.db2.gz	IUDHDJWIYCLTIJ-RITPCOANSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1O[C@@H]2CCCC[C@H]2C([O-])=C1O	100784241	169365960	/nfs/dbraw/zinc/36/59/60/169365960.db2.gz	IUDHDJWIYCLTIJ-PHDIDXHHSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1C(O)=C([O-])O[C@@H]2CCCC[C@@H]12	100784241	169365961	/nfs/dbraw/zinc/36/59/61/169365961.db2.gz	IUDHDJWIYCLTIJ-PHDIDXHHSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1O[C@H]2CCCC[C@@H]2C([O-])=C1O	100784249	169365971	/nfs/dbraw/zinc/36/59/71/169365971.db2.gz	IUDHDJWIYCLTIJ-WDSKDSINSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1C(O)=C([O-])O[C@H]2CCCC[C@H]12	100784249	169365972	/nfs/dbraw/zinc/36/59/72/169365972.db2.gz	IUDHDJWIYCLTIJ-WDSKDSINSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1O[C@@H]2CCCC[C@@H]2C([O-])=C1O	100784246	169366021	/nfs/dbraw/zinc/36/60/21/169366021.db2.gz	IUDHDJWIYCLTIJ-NTSWFWBYSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1C(O)=C([O-])O[C@@H]2CCCC[C@H]12	100784246	169366022	/nfs/dbraw/zinc/36/60/22/169366022.db2.gz	IUDHDJWIYCLTIJ-NTSWFWBYSA-N	-1	3	184.191	1.430	1	30		ADEFHM
O=C1C[C@@H]2[C@@H](C=CC23CCCC3)N1[O-]	17213536	169381518	/nfs/dbraw/zinc/38/15/18/169381518.db2.gz	DYLMJNDPXVGSEE-RKDXNWHRSA-N	-1	3	193.246	1.723	1	30		ADEFHM
CCCC=Nc1ccnc(=O)[n-]1	84733843	171131521	/nfs/dbraw/zinc/13/15/21/171131521.db2.gz	PRXDWPZDBOLVDH-WEVVVXLNSA-N	-1	3	165.196	1.272	1	30		ADEFHM