smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C=CO	100055356	167321033	/nfs/dbraw/zinc/32/10/33/167321033.db2.gz	NINSPLAPBBAHEW-ONEGZZNKSA-N	0	1	116.116	0.621	50	10	in-vitro	ACCAMN
C[C@@H](N)C(=O)c1ccc(O)c(O)c1	65734224	168360558	/nfs/dbraw/zinc/36/05/58/168360558.db2.gz	VTUFBPJUFSJZCT-RXMQYKEDSA-N	0	1	181.191	0.628	50	10	in-vitro	ACCAMN
Cc1ccc(-n2[nH]c(=O)cc2O)cc1	5541406	168824128	/nfs/dbraw/zinc/82/41/28/168824128.db2.gz	XPZNMTRTUAVNQW-UHFFFAOYSA-N	0	1	190.202	0.763	50	10		ACCAMN
Nc1ccc(C2=NNC(=O)C2)cc1	100113520	169291265	/nfs/dbraw/zinc/29/12/65/169291265.db2.gz	GTLROTJOCPBZQQ-UHFFFAOYSA-N	0	1	175.191	0.493	50	10	in-vitro	ACCAMN
Nc1ccc(OCc2nnc[nH]2)cc1	82530336	169292452	/nfs/dbraw/zinc/29/24/52/169292452.db2.gz	MVMFMIFUHZOUJY-UHFFFAOYSA-N	0	1	190.206	0.966	50	10		ACCAMN
Cc1cccc(-n2[nH]c(=O)cc2O)c1	6302378	343013490	/nfs/dbraw/zinc/01/34/90/343013490.db2.gz	MYXGIWRDAZVKLC-UHFFFAOYSA-N	0	1	190.202	0.763	50	10		ACCAMN
C[NH2+]CC(=O)c1ccc([O-])c(O)c1	34781660	343125181	/nfs/dbraw/zinc/12/51/81/343125181.db2.gz	PZMVOUYYNKPMSI-UHFFFAOYSA-N	0	1	181.191	0.500	50	10	in-man	ACCAMN
CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N	36194218	343141551	/nfs/dbraw/zinc/14/15/51/343141551.db2.gz	DGFGYRXCDBUGNQ-SECBINFHSA-N	0	1	191.234	0.705	50	10		ACCAMN
C[C@H](N)C(=O)c1ccc(O)c(O)c1	65734222	343408519	/nfs/dbraw/zinc/40/85/19/343408519.db2.gz	VTUFBPJUFSJZCT-YFKPBYRVSA-N	0	1	181.191	0.628	50	10	in-vitro	ACCAMN
NCC(=O)Nc1ccc(N)cc1	98044679	343704699	/nfs/dbraw/zinc/70/46/99/343704699.db2.gz	DKCWGVIARWBMDV-UHFFFAOYSA-N	0	1	165.196	0.166	50	10		ACCAMN
CN(C)c1ccc2c(c1)NC(=O)[C@H]2N	100551000	343718952	/nfs/dbraw/zinc/71/89/52/343718952.db2.gz	DGFGYRXCDBUGNQ-VIFPVBQESA-N	0	1	191.234	0.705	50	10		ACCAMN
O=Cc1cc(O)c(O)c(O)c1	1564659	560182279	/nfs/dbraw/zinc/18/22/79/560182279.db2.gz	RGZHEOWNTDJLAQ-UHFFFAOYSA-N	0	1	154.121	0.616	50	10	in-vitro	ACCAMN