smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002413238	210396804	/nfs/dbraw/zinc/39/68/04/210396804.db2.gz	YZLVKAJNFOGAJA-UHFFFAOYSA-N	-1	0	362.306	-1.862	50	30		FAEARM
O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000002526328	526431667	/nfs/dbraw/zinc/43/16/67/526431667.db2.gz	LCZVQHWMSQLWSC-ZETCQYMHSA-N	-1	0	360.300	-1.835	50	30	in-vitro	FAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(CCO)c2c(=O)[nH]c1=O	ZINC000002589487	204045718	/nfs/dbraw/zinc/04/57/18/204045718.db2.gz	MUFRGAYGTMBEIZ-UHFFFAOYSA-N	-1	0	364.278	-2.406	50	30		FAEARM
CC1(C)O[C@@H]2[C@H](O1)[C@H](COS(C)(=O)=O)O[C@H]2n1ncc(=O)[n-]c1=O	ZINC000002802438	206158092	/nfs/dbraw/zinc/15/80/92/206158092.db2.gz	WHZZSEDRSUGQAL-JZKKDOLYSA-N	-1	0	363.348	-1.675	50	30		FAEARM
C=CC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097583	219542593	/nfs/dbraw/zinc/54/25/93/219542593.db2.gz	PHZOWSSBXJXFOR-GLVDENFASA-N	-1	0	359.378	-1.772	50	30	in-vitro	FAEARM
CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@H](n3ncc(=O)[n-]c3=O)[C@H]2O1	ZINC000009206148	482635190	/nfs/dbraw/zinc/63/51/90/482635190.db2.gz	WHZZSEDRSUGQAL-NORCUCSASA-N	-1	0	363.348	-1.675	50	30		FAEARM
CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@@H](n3ncc(=O)[n-]c3=O)[C@H]2O1	ZINC000009206149	482636135	/nfs/dbraw/zinc/63/61/35/482636135.db2.gz	WHZZSEDRSUGQAL-QRYDPKPESA-N	-1	0	363.348	-1.675	50	30		FAEARM
CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1ncc(=O)[n-]c1=O)O[C@H]2COS(C)(=O)=O	ZINC000009206150	482635838	/nfs/dbraw/zinc/63/58/38/482635838.db2.gz	WHZZSEDRSUGQAL-ZQNVIIHSSA-N	-1	0	363.348	-1.675	50	30		FAEARM
CCCn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009292995	483731333	/nfs/dbraw/zinc/73/13/33/483731333.db2.gz	OJUXYSVUSSVZOB-UHFFFAOYSA-N	-1	0	362.306	-2.033	50	30		FAEARM
Cn1c(N=Nc2c([O-])n(C)c(=O)n(C)c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849203	483732042	/nfs/dbraw/zinc/73/20/42/483732042.db2.gz	USEXNQMDNAFFFT-UHFFFAOYSA-N	-1	0	362.306	-2.221	50	30		FAEARM
C=CCn1c(=O)c2c(nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n2C)n(C)c1=O	ZINC000010272112	204005919	/nfs/dbraw/zinc/00/59/19/204005919.db2.gz	VRBXXKJMXCSXCB-UHFFFAOYSA-N	-1	0	374.317	-2.246	50	30		FAEARM
C=CC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013527691	211037098	/nfs/dbraw/zinc/03/70/98/211037098.db2.gz	PHZOWSSBXJXFOR-PTGZALFTSA-N	-1	0	359.378	-1.772	50	30	endogenous,in-man	FAEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1=O	ZINC000072473592	206677566	/nfs/dbraw/zinc/67/75/66/206677566.db2.gz	FFCZILYNONZEJN-MEDUHNTESA-N	-1	0	350.375	-2.024	50	30		FAEARM
O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000076945287	526432070	/nfs/dbraw/zinc/43/20/70/526432070.db2.gz	LCZVQHWMSQLWSC-SSDOTTSWSA-N	-1	0	360.300	-1.835	50	30	in-vitro	FAEARM
C=CCNC(=S)N1CCN(CCNC=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000085434211	518949535	/nfs/dbraw/zinc/94/95/35/518949535.db2.gz	ULPOTHAJNSMTCV-UHFFFAOYSA-N	-1	0	366.447	-1.496	50	30		FAEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O	ZINC000218039708	206366718	/nfs/dbraw/zinc/36/67/18/206366718.db2.gz	VMMRRHCIXDDLGU-GWNIPJSYSA-N	-1	0	366.399	-1.010	50	30		FAEARM
O=C1c2ccccc2C(=O)C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C1[O-]	ZINC000253503740	527128660	/nfs/dbraw/zinc/12/86/60/527128660.db2.gz	ZPZGPVPZOQHNJA-CRDBMLMKSA-N	-1	0	352.295	-1.348	50	30		FAEARM
O=C1c2ccccc2C(=O)C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C1[O-]	ZINC000253503742	527128398	/nfs/dbraw/zinc/12/83/98/527128398.db2.gz	ZPZGPVPZOQHNJA-XBJBOQPMSA-N	-1	0	352.295	-1.348	50	30		FAEARM
Cn1nc(S(=O)(=O)[N-]N=Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000254760617	657846757	/nfs/dbraw/zinc/84/67/57/657846757.db2.gz	YALCJBFOCHGFOH-UHFFFAOYSA-N	-1	0	368.331	-1.300	50	30		FAEARM