smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1n[n-]c(=S)n1CC(C)(C)C	40494700	537837544	/nfs/dbraw/zinc/83/75/44/537837544.db2.gz	RJAOTUJRXFREEW-UHFFFAOYSA-N	-1	1	199.323	2.549	40	0		AFABMM
Cc1cc(Cl)c([O-])c2ncccc12	33610359	343105933	/nfs/dbraw/zinc/10/59/33/343105933.db2.gz	ZIOISVUUZNUJNX-UHFFFAOYSA-N	-1	1	193.633	2.902	40	0	in-vitro	AFABMM
CCn1c(CC(C)(C)C)n[n-]c1=S	40539334	343220226	/nfs/dbraw/zinc/22/02/26/343220226.db2.gz	MNNIXHHKLRUQRM-UHFFFAOYSA-N	-1	1	199.323	2.549	40	0		AFABMM
Cc1ccc(-c2cc(=O)o[n-]2)c(C)c1	71976652	343559299	/nfs/dbraw/zinc/55/92/99/343559299.db2.gz	ARUIJRHBMBOWHK-UHFFFAOYSA-N	-1	1	189.214	2.664	40	0		AFABMM
CCCCCC1CC(=O)C=C([O-])C1	100433938	343716643	/nfs/dbraw/zinc/71/66/43/343716643.db2.gz	DBEXKDYDVZVANM-UHFFFAOYSA-N	-1	1	182.263	2.505	40	0		AFABMM
CC(C)(C)c1n[n-]c(=S)n1C1CC1	40539326	166386566	/nfs/dbraw/zinc/38/65/66/166386566.db2.gz	OKCBSBNFPMYWPI-UHFFFAOYSA-N	-1	1	197.307	2.573	40	0		AFABMM
CSC(=S)[N-]C1CCCCC1	36644059	168296391	/nfs/dbraw/zinc/29/63/91/168296391.db2.gz	JQIDGEXIZBQJKS-UHFFFAOYSA-N	-1	1	189.349	2.557	40	0		AFABMM
CSc1ccc([O-])c(Cl)c1	39275996	168310989	/nfs/dbraw/zinc/31/09/89/168310989.db2.gz	URMIHRANPOLBOI-UHFFFAOYSA-N	-1	1	174.652	2.768	40	0		AFABMM
O=C1[N-]C(=S)C(=C2CCCC2)S1	4376087	169385032	/nfs/dbraw/zinc/38/50/32/169385032.db2.gz	GIYXFKFRGVIQNH-UHFFFAOYSA-N	-1	1	199.300	2.598	40	0		AFABMM
O=C1c2ccccc2-c2cc([O-])ccc21	1687576	169393849	/nfs/dbraw/zinc/39/38/49/169393849.db2.gz	KLABHKQINQEQOG-UHFFFAOYSA-N	-1	1	196.205	2.604	40	0		AFABMM
O=C1C=C([O-])CC(C2CCCCC2)C1	101704824	171145980	/nfs/dbraw/zinc/14/59/80/171145980.db2.gz	LCYBPPUTWMUXAX-UHFFFAOYSA-N	-1	1	194.274	2.505	40	0		AFABMM
O=c1cc(-c2ccc(Cl)cc2)[n-]o1	224339	171197259	/nfs/dbraw/zinc/19/72/59/171197259.db2.gz	GCBUVAWMSGDPCI-UHFFFAOYSA-N	-1	1	195.605	2.701	40	0		AFABMM
[O-]c1cccc(F)c1C(F)(F)F	66309487	171218899	/nfs/dbraw/zinc/21/88/99/171218899.db2.gz	LVLSEZMHBIUIHF-UHFFFAOYSA-N	-1	1	180.100	2.550	40	0		AFABMM
CCCCO[P@](=O)([O-])CCCC	1565223	342947827	/nfs/dbraw/zinc/94/78/27/342947827.db2.gz	WCVSRFBEIOHADI-UHFFFAOYSA-N	-1	1	194.211	2.789	40	0		AFABMM
CC(C)n1c(C2CCC2)n[n-]c1=S	40539330	343220035	/nfs/dbraw/zinc/22/00/35/343220035.db2.gz	TVASHBXIEMLPCC-UHFFFAOYSA-N	-1	1	197.307	2.789	40	0		AFABMM
Cc1ccc(-c2cc(=O)o[n-]2)cc1C	71976644	343559161	/nfs/dbraw/zinc/55/91/61/343559161.db2.gz	HFCYPXLAOXFZCC-UHFFFAOYSA-N	-1	1	189.214	2.664	40	0		AFABMM
Cc1ccc2c([O-])c(F)cc(C)c2n1	85399673	343643566	/nfs/dbraw/zinc/64/35/66/343643566.db2.gz	GSRKAEUNDSCNNN-UHFFFAOYSA-N	-1	1	191.205	2.696	40	0		AFABMM
CCc1c(F)ccc([O-])c1Cl	91690320	343677850	/nfs/dbraw/zinc/67/78/50/343677850.db2.gz	NRDGXUCHWCZKTE-UHFFFAOYSA-N	-1	1	174.602	2.747	40	0		AFABMM
CCCCCCC1CC(=O)C=C([O-])C1	100294238	343714775	/nfs/dbraw/zinc/71/47/75/343714775.db2.gz	KUTNVHBPCLHKAN-UHFFFAOYSA-N	-1	1	196.290	2.895	40	0		AFABMM
[O-]c1cccc2c1oc1ncccc12	146209432	344039456	/nfs/dbraw/zinc/03/94/56/344039456.db2.gz	NYPXEFGYNOHZJZ-UHFFFAOYSA-N	-1	1	185.182	2.687	40	0		AFABMM
S=c1[n-]nc(C2CCC2)n1C1CC1	40539328	351507951	/nfs/dbraw/zinc/50/79/51/351507951.db2.gz	XZMMQGTYVVRNFQ-UHFFFAOYSA-N	-1	1	195.291	2.543	40	0		AFABMM
[O-]c1cc(O)c2ccccc2c1Cl	85392725	351653625	/nfs/dbraw/zinc/65/36/25/351653625.db2.gz	VSQBHWSANDVMCH-UHFFFAOYSA-N	-1	1	194.617	2.904	40	0		AFABMM
[O-]c1ccc(-c2cscn2)cc1F	85389649	351653693	/nfs/dbraw/zinc/65/36/93/351653693.db2.gz	YVCOYZFLAVPLLH-UHFFFAOYSA-N	-1	1	195.218	2.655	40	0		AFABMM
CC(C)(C)c1noc2c([O-])cccc12	228936346	519139053	/nfs/dbraw/zinc/13/90/53/519139053.db2.gz	NYJUJUGRNJZJCX-UHFFFAOYSA-N	-1	1	191.230	2.831	40	0		AFABMM