smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C=c1\[nH]c(=O)/c(=C/CC)[nH]c1=O	28020698	166069942	/nfs/dbraw/zinc/06/99/42/166069942.db2.gz	IDKCJUWXNUFKNA-PEPZGXQESA-N	0	1	180.207	-0.946	1	0		ABAFMN
Cn1c[n+](C)c2c(=O)[n-]cnc21	8615647	169035412	/nfs/dbraw/zinc/03/54/12/169035412.db2.gz	AJSIAHTWMVCUGM-UHFFFAOYSA-O	0	1	165.176	-0.502	1	0		ABAFMN
NC(=O)[C@@H](N)Cc1ccc(O)cn1	1645829	169159640	/nfs/dbraw/zinc/15/96/40/169159640.db2.gz	YYKSPECTEPGNCJ-ZETCQYMHSA-N	0	1	181.195	-0.858	1	0		ABAFMN
NC(=O)[C@H](N)Cc1ccc(O)cn1	5581212	169162820	/nfs/dbraw/zinc/16/28/20/169162820.db2.gz	YYKSPECTEPGNCJ-SSDOTTSWSA-N	0	1	181.195	-0.858	1	0		ABAFMN
NCc1cn(O)nc1N	103100581	169225742	/nfs/dbraw/zinc/22/57/42/169225742.db2.gz	VUZIJLJUUOFFDP-UHFFFAOYSA-N	0	1	128.135	-0.839	1	0		ABAFMN
NNc1cc2[nH]cnc2c(=O)n1N	100015939	169237866	/nfs/dbraw/zinc/23/78/66/169237866.db2.gz	NEKXFYYJADPUPS-UHFFFAOYSA-N	0	1	180.171	-0.912	1	0		ABAFMN
O=C1NC=C[C@H](O)N1	5835317	169384855	/nfs/dbraw/zinc/38/48/55/169384855.db2.gz	DEAAWXYGBWCVJW-VKHMYHEASA-N	0	1	114.104	-0.869	1	0	in-vivo	ABAFMN
O=C1NC=C[C@@H](O)N1	2043454	169385112	/nfs/dbraw/zinc/38/51/12/169385112.db2.gz	DEAAWXYGBWCVJW-GSVOUGTGSA-N	0	1	114.104	-0.869	1	0	in-vivo	ABAFMN
CN1CCC=C(c2nnnn2C)C1	13739800	171028068	/nfs/dbraw/zinc/02/80/68/171028068.db2.gz	INOQPVRNJBTWPG-UHFFFAOYSA-N	0	1	179.227	-0.071	1	0		ABAFMN
CN1CCC=C(c2nnn(C)n2)C1	13739812	171028177	/nfs/dbraw/zinc/02/81/77/171028177.db2.gz	KDQWNBTXQJNVOX-UHFFFAOYSA-N	0	1	179.227	-0.071	1	0		ABAFMN
On1ncc2c1CCNC2	26056893	171043779	/nfs/dbraw/zinc/04/37/79/171043779.db2.gz	OJEGYBWAJGGPQB-UHFFFAOYSA-N	0	1	139.158	-0.234	1	0		ABAFMN
O=c1nnc2ccc3c(c2[nH]1)=CCCC=3	29547839	171048874	/nfs/dbraw/zinc/04/88/74/171048874.db2.gz	STZIVELXXMZOFY-UHFFFAOYSA-N	0	1	199.213	-0.327	1	0		ABAFMN
On1cc2c(n1)CCNC2	95598190	171136289	/nfs/dbraw/zinc/13/62/89/171136289.db2.gz	OZFHVXJTVWIDCU-UHFFFAOYSA-N	0	1	139.158	-0.234	1	0		ABAFMN
O=C([O-])C[C@@H]1[NH2+]C[C@@H]2CCCN2C1=O	96929741	171142637	/nfs/dbraw/zinc/14/26/37/171142637.db2.gz	LDIKVMIGZZXMNT-BQBZGAKWSA-N	0	1	198.222	-0.576	1	0		ABAFMN
[NH2+]=CN[C@H](Cc1cnc[nH]1)C(=O)[O-]	69488493	574416369	/nfs/dbraw/zinc/41/63/69/574416369.db2.gz	FCJOZCKZXDHABX-ZCFIWIBFSA-N	0	1	182.183	-0.398	1	0	endogenous,in-vitro	ABAFMN
[NH2+]=CN[C@@H](Cc1cnc[nH]1)C(=O)[O-]	69488494	574416398	/nfs/dbraw/zinc/41/63/98/574416398.db2.gz	FCJOZCKZXDHABX-LURJTMIESA-N	0	1	182.183	-0.398	1	0	endogenous,in-vitro	ABAFMN