smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nccc1C[N@@H+]1C[C@@H](F)C[C@H]1CN=c1ncnc2[nH][nH]cc1-2	ZINC000328650675	437247580	/nfs/dbraw/zinc/24/75/80/437247580.db2.gz	VRPKXVSJWZHFBB-JQWIXIFHSA-N	-1	2	330.371	0.484	10	0		ECAELM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263123836	165417995	/nfs/dbraw/zinc/41/79/95/165417995.db2.gz	CMQBONGAKJDIFB-RWMBFGLXSA-N	-1	2	346.449	0.760	10	0		ECAELM
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002384973	571682535	/nfs/dbraw/zinc/68/25/35/571682535.db2.gz	FBTYOQIYBULKEH-ZFWWWQNUSA-N	-1	2	341.371	0.573	10	0	endogenous,in-man	ECAELM
CCOc1cccc(-n2nc(-c3noc(C(=O)[O-])n3)c(=O)[nH]c2=O)c1	ZINC000049455451	202622342	/nfs/dbraw/zinc/62/23/42/202622342.db2.gz	MJAQBILZAATZRM-UHFFFAOYSA-N	-1	2	345.271	0.068	10	0		ECAELM
CCCN(CC(=O)[O-])C(=O)Cc1csc(NS(C)(=O)=O)n1	ZINC000038019865	213191795	/nfs/dbraw/zinc/19/17/95/213191795.db2.gz	QGEMHLOVSVNTFQ-UHFFFAOYSA-N	-1	2	335.407	0.380	10	0		ECAELM
CCCCOCCOCCOCCOCCO[P@@](=O)([O-])O	ZINC000084403513	436380289	/nfs/dbraw/zinc/38/02/89/436380289.db2.gz	KYWZAVZYKUXWSZ-UHFFFAOYSA-N	-1	2	330.314	0.962	10	0		ECAELM
CCCCOCCOCCOCCOCCO[P@](=O)([O-])O	ZINC000084403513	436380293	/nfs/dbraw/zinc/38/02/93/436380293.db2.gz	KYWZAVZYKUXWSZ-UHFFFAOYSA-N	-1	2	330.314	0.962	10	0		ECAELM
CCC(C)(C)C[N@H+](C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000077300677	436231349	/nfs/dbraw/zinc/23/13/49/436231349.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-1	2	333.258	0.746	10	0	in-vitro	ECAELM
CCC(C)(C)C[N@@H+](C)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000077300677	436231357	/nfs/dbraw/zinc/23/13/57/436231357.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-1	2	333.258	0.746	10	0	in-vitro	ECAELM
CCC(C)(C)C[NH+](C)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000077300677	436231360	/nfs/dbraw/zinc/23/13/60/436231360.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-1	2	333.258	0.746	10	0	in-vitro	ECAELM
CCC(C)(C)C[NH+](C)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000077300677	436231362	/nfs/dbraw/zinc/23/13/62/436231362.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-1	2	333.258	0.746	10	0	in-vitro	ECAELM
CCN(CCC(=O)[O-])C(=O)Cc1csc(NS(C)(=O)=O)n1	ZINC000038022820	213191879	/nfs/dbraw/zinc/19/18/79/213191879.db2.gz	FRISGVUTHGVCOA-UHFFFAOYSA-N	-1	2	335.407	0.380	10	0		ECAELM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263123833	165418009	/nfs/dbraw/zinc/41/80/09/165418009.db2.gz	CMQBONGAKJDIFB-JHJVBQTASA-N	-1	2	346.449	0.760	10	0		ECAELM