smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@@H]([NH3+])C(=O)NCC(=O)[O-]	100386037	574417414	/nfs/dbraw/zinc/41/74/14/574417414.db2.gz	KBFDRAFIESOMHK-GSVOUGTGSA-N	0	1	189.171	-1.780	1	0	endogenous,in-vitro	AAAFMN
NC(=O)C[C@H]([NH3+])C(=O)NCC(=O)[O-]	100386039	574417439	/nfs/dbraw/zinc/41/74/39/574417439.db2.gz	KBFDRAFIESOMHK-VKHMYHEASA-N	0	1	189.171	-1.780	1	0	endogenous,in-vitro	AAAFMN
C/C=c1\[nH]c(=O)/c(=C/C)[nH]c1=O	28006113	166070014	/nfs/dbraw/zinc/07/00/14/166070014.db2.gz	VFMXJSVBSXKWJY-GLIMQPGKSA-N	0	1	166.180	-1.336	1	0		AAAFMN
NC(=O)[C@@H]1N=CN=C1N	49642695	169161466	/nfs/dbraw/zinc/16/14/66/169161466.db2.gz	PYNDTGFTPOZGRW-UWTATZPHSA-N	0	1	126.119	-1.761	1	0	in-vitro	AAAFMN
NC(=O)[C@H]1N=CN=C1N	59066278	169163562	/nfs/dbraw/zinc/16/35/62/169163562.db2.gz	PYNDTGFTPOZGRW-REOHCLBHSA-N	0	1	126.119	-1.761	1	0	in-vitro	AAAFMN
N[C@@H](Cc1cnc[nH]1)C(=O)CO	169321754	169247941	/nfs/dbraw/zinc/24/79/41/169247941.db2.gz	WCOLXSNPWKVRIZ-LURJTMIESA-N	0	1	169.184	-1.159	1	0		AAAFMN
O=C1N[C@@H](O)Nc2nc(O)[nH]c21	28136055	169388008	/nfs/dbraw/zinc/38/80/08/169388008.db2.gz	UGSUIFIWONVEJB-YFKPBYRVSA-N	0	1	170.128	-1.454	1	0	in-vitro	AAAFMN
O=C1N[C@H](O)Nc2nc(O)[nH]c21	28136061	169389700	/nfs/dbraw/zinc/38/97/00/169389700.db2.gz	UGSUIFIWONVEJB-RXMQYKEDSA-N	0	1	170.128	-1.454	1	0	in-vitro	AAAFMN
Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1	53244625	171098716	/nfs/dbraw/zinc/09/87/16/171098716.db2.gz	QZACDTSNHPJXQC-SFOWXEAESA-N	0	1	183.196	-1.914	1	0		AAAFMN
Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1	53244624	171098738	/nfs/dbraw/zinc/09/87/38/171098738.db2.gz	QZACDTSNHPJXQC-PVQJCKRUSA-N	0	1	183.196	-1.914	1	0		AAAFMN
O[C@H]1[C@H](O)[C@H](O)[C@@H]2N[C@@]1(O)C[C@H]2O	95909997	290727766	/nfs/dbraw/zinc/72/77/66/290727766.db2.gz	GGOJRYWHKVYFQK-JWCLTRPWSA-N	0	1	191.183	-3.506	1	0	biogenic,in-vitro	AAAFMN
NC(=O)CCON=C(N)N	13542370	560219214	/nfs/dbraw/zinc/21/92/14/560219214.db2.gz	YIKFZYLCEQFNSC-UHFFFAOYSA-N	0	1	146.150	-1.724	1	0	in-vitro	AAAFMN