smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@@H]2[C@H](O1)[C@H](COS(C)(=O)=O)O[C@H]2n1ccc(=O)[nH]c1=O	ZINC000003012291	482703673	/nfs/dbraw/zinc/70/36/73/482703673.db2.gz	UPDXJUVQOLRFDB-AYHFEMFVSA-N	0	0	362.360	-1.070	10	30		FAEERN
C=CCNC(=O)N[C@H]1C[C@@H](C(=O)N(C)CC(N)=O)N(C(=O)CSC)C1	ZINC000003838883	206164875	/nfs/dbraw/zinc/16/48/75/206164875.db2.gz	NEKHLMFDTSMJFG-QWRGUYRKSA-N	0	0	371.463	-1.252	10	30		FAEERN
C=CCNC(=O)N[C@H]1CCN(C(=O)CSC)[C@@H]1C(=O)N(C)CC(N)=O	ZINC000003839119	219526278	/nfs/dbraw/zinc/52/62/78/219526278.db2.gz	TYJXGYGBHWRQET-GWCFXTLKSA-N	0	0	371.463	-1.252	10	30		FAEERN
COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097523	560194721	/nfs/dbraw/zinc/19/47/21/560194721.db2.gz	QZRKNNXRNBTODR-JKTRLFLGSA-N	0	0	360.319	-3.614	10	30	in-vitro	FAEERN
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O	ZINC000004097612	537003053	/nfs/dbraw/zinc/00/30/53/537003053.db2.gz	WTGXAWKVZMQEDA-XFWGRBSCSA-N	0	0	373.314	-2.048	10	30	in-vitro	FAEERN
C=C[C@@H]1[C@@H]2CCNC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004098415	560195722	/nfs/dbraw/zinc/19/57/22/560195722.db2.gz	CYRRHDGXDUVPMO-ZASXJUAOSA-N	0	0	357.359	-2.019	10	30	in-vitro	FAEERN
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O	ZINC000004654641	537003574	/nfs/dbraw/zinc/00/35/74/537003574.db2.gz	WTGXAWKVZMQEDA-FYPHCDFOSA-N	0	0	373.314	-2.048	10	30	in-vitro	FAEERN
CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1ccc(=O)[nH]c1=O)O[C@H]2COS(C)(=O)=O	ZINC000006232643	207135190	/nfs/dbraw/zinc/13/51/90/207135190.db2.gz	UPDXJUVQOLRFDB-IANFPDNMSA-N	0	0	362.360	-1.070	10	30		FAEERN
CC1(C)O[C@@H]2[C@@H](COS(C)(=O)=O)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	ZINC000006232660	483298763	/nfs/dbraw/zinc/29/87/63/483298763.db2.gz	UPDXJUVQOLRFDB-WKJUBOCMSA-N	0	0	362.360	-1.070	10	30		FAEERN
CC1(C)O[C@@H]2[C@@H](O1)[C@H](COS(C)(=O)=O)O[C@@H]2n1ccc(=O)[nH]c1=O	ZINC000006232678	210663368	/nfs/dbraw/zinc/66/33/68/210663368.db2.gz	UPDXJUVQOLRFDB-BBHBSTQDSA-N	0	0	362.360	-1.070	10	30		FAEERN
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](COS(C)(=O)=O)O[C@@H]2n1ccc(=O)[nH]c1=O	ZINC000006232694	210662965	/nfs/dbraw/zinc/66/29/65/210662965.db2.gz	UPDXJUVQOLRFDB-DQDDRIPDSA-N	0	0	362.360	-1.070	10	30		FAEERN
NC(=[NH2+])Nc1nc(C[S@@](=O)CCC(=O)[N-]S(N)(=O)=O)cs1	ZINC000022056689	482548567	/nfs/dbraw/zinc/54/85/67/482548567.db2.gz	SOOLGLOWIWDUSE-HXUWFJFHSA-N	0	0	354.439	-1.994	10	30	in-vitro	FAEERN
COC(=O)[C@@]1([N+](=O)[O-])C[C@H]2C[C@H](C[C@](C(=O)OC)([N+](=O)[O-])C2=O)C1=O	ZINC000036011470	205000743	/nfs/dbraw/zinc/00/07/43/205000743.db2.gz	GJDYHZYLVOZGIZ-DDKUZNHOSA-N	0	0	358.259	-1.069	10	30		FAEERN
COC(=O)[C@@]1([N+](=O)[O-])C[C@H]2C[C@H](C[C@@](C(=O)OC)([N+](=O)[O-])C2=O)C1=O	ZINC000036011471	211648671	/nfs/dbraw/zinc/64/86/71/211648671.db2.gz	GJDYHZYLVOZGIZ-DANUVHOZSA-N	0	0	358.259	-1.069	10	30		FAEERN
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3CC(C)C(=O)C(=O)[C@]3(CO)[C@]1(C)[C@@]21CO1	ZINC000070647132	210213647	/nfs/dbraw/zinc/21/36/47/210213647.db2.gz	XGCUCFKWVIWWNW-UWKSZNKUSA-N	0	0	354.355	-1.296	10	30	in-vitro	FAEERN
C[S@@](=O)CCCC/C(=N/O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077291202	525362230	/nfs/dbraw/zinc/36/22/30/525362230.db2.gz	UYHMVWFYYZIVOP-DDESSUHFSA-N	0	0	357.450	-1.144	10	30	in-vitro	FAEERN
C[S@](=O)CCCC/C(=N/O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077291203	525381807	/nfs/dbraw/zinc/38/18/07/525381807.db2.gz	UYHMVWFYYZIVOP-MVWLRFOESA-N	0	0	357.450	-1.144	10	30	in-vitro	FAEERN
C[S@@](=O)CCCC/C(=N/O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000077291204	525362089	/nfs/dbraw/zinc/36/20/89/525362089.db2.gz	UYHMVWFYYZIVOP-NVNAPNEESA-N	0	0	357.450	-1.144	10	30	in-vitro	FAEERN
C[S@](=O)CCCC/C(=N/O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000077291210	525381517	/nfs/dbraw/zinc/38/15/17/525381517.db2.gz	UYHMVWFYYZIVOP-WIXCBOESSA-N	0	0	357.450	-1.144	10	30	in-vitro	FAEERN
C[S@@](=O)CCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077291212	525361664	/nfs/dbraw/zinc/36/16/64/525361664.db2.gz	UYHMVWFYYZIVOP-SASATNNQSA-N	0	0	357.450	-1.144	10	30		FAEERN
C[S@](=O)CCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077291214	525381549	/nfs/dbraw/zinc/38/15/49/525381549.db2.gz	UYHMVWFYYZIVOP-QSTLJORTSA-N	0	0	357.450	-1.144	10	30		FAEERN
Cc1cn([C@@H]2O[C@H](CO)[C@]3(OS(=O)(=O)C=C3N)[C@H]2O)c(=O)[nH]c1=O	ZINC000103018084	222318486	/nfs/dbraw/zinc/31/84/86/222318486.db2.gz	LFLRCVNDBZSHNA-CCCLYZFWSA-N	0	0	361.332	-3.005	10	30		FAEERN
Cc1cn([C@@H]2O[C@H](CO)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O)c(=O)[nH]c1=O	ZINC000103018088	222318853	/nfs/dbraw/zinc/31/88/53/222318853.db2.gz	LFLRCVNDBZSHNA-UJYYTQATSA-N	0	0	361.332	-3.005	10	30		FAEERN
CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H]2O1	ZINC000106537541	209274494	/nfs/dbraw/zinc/27/44/94/209274494.db2.gz	UPDXJUVQOLRFDB-CDEVMZEPSA-N	0	0	362.360	-1.070	10	30		FAEERN
CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O1	ZINC000106537543	206015838	/nfs/dbraw/zinc/01/58/38/206015838.db2.gz	UPDXJUVQOLRFDB-VFRUTBLMSA-N	0	0	362.360	-1.070	10	30		FAEERN
Cn1c(=O)c(C#N)c(N2CCN(c3ccc4nncn4n3)CC2)n(C)c1=O	ZINC000108946986	272805231	/nfs/dbraw/zinc/80/52/31/272805231.db2.gz	FHAHPIBYQPFZKW-UHFFFAOYSA-N	0	0	367.373	-1.280	10	30		FAEERN
O=S(=O)(OC[C@@H]1COS(=O)(=O)O1)OC[C@@H]1COS(=O)(=O)O1	ZINC000145664942	482707783	/nfs/dbraw/zinc/70/77/83/482707783.db2.gz	DKJBXEOYPODYMB-PHDIDXHHSA-N	0	0	370.335	-2.415	10	30		FAEERN
O=S(=O)(OC[C@@H]1COS(=O)(=O)O1)OC[C@H]1COS(=O)(=O)O1	ZINC000145665082	482707321	/nfs/dbraw/zinc/70/73/21/482707321.db2.gz	DKJBXEOYPODYMB-OLQVQODUSA-N	0	0	370.335	-2.415	10	30		FAEERN
O=S(=O)(OC[C@H]1COS(=O)(=O)O1)OC[C@H]1COS(=O)(=O)O1	ZINC000145665306	482707604	/nfs/dbraw/zinc/70/76/04/482707604.db2.gz	DKJBXEOYPODYMB-WDSKDSINSA-N	0	0	370.335	-2.415	10	30		FAEERN
CCOC(=O)C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	ZINC000166688273	482586392	/nfs/dbraw/zinc/58/63/92/482586392.db2.gz	IJRWKDZDWYFPFP-RVXWVPLUSA-N	0	0	362.342	-1.460	10	30		FAEERN
CC(C)[C@H](N)C(=O)ONc1ccn([C@@H]2O[C@H](CO)C(O)[C@@]2(C)O)c(=O)n1	ZINC000584605476	483284010	/nfs/dbraw/zinc/28/40/10/483284010.db2.gz	RIDOYEIYLXFWSM-FMBSFYNOSA-N	0	0	371.370	-1.358	10	30		FAEERN
O=[N+]([O-])c1ccc(N=NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])c1	ZINC000584657419	483283958	/nfs/dbraw/zinc/28/39/58/483283958.db2.gz	ZHYZLJNQRPJDJO-GOMNFZAGSA-N	0	0	360.279	-1.663	10	30		FAEERN