smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(C(=O)c2cc(F)ccc2O)cnc1OCc1ccccc1	ZINC000536955414	563932788	/nfs/dbraw/zinc/93/27/88/563932788.db2.gz	YYECWSIHMRNIOV-UHFFFAOYSA-N	0	2	348.333	3.608	10	30		EHEELN
CCn1cc(-c2[nH]ncc2C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cn1	ZINC000329266694	1025704492	/nfs/dbraw/zinc/70/44/92/1025704492.db2.gz	CXHVBQQQGISHKH-HOCLYGCPSA-N	0	2	341.459	3.814	10	30		EHEELN
CC(C)(C)c1cc(C=Nc2nc(O)cc(=O)[nH]2)cc(C(C)(C)C)c1O	ZINC000005293129	563525596	/nfs/dbraw/zinc/52/55/96/563525596.db2.gz	DJIBUTWSABLBLM-KEBDBYFISA-N	0	2	343.427	3.527	10	30		EHEELN
CCc1ccc(S(=O)(=O)N=C(O)Nc2ccc(Cl)cc2)cc1	ZINC000026484156	202143850	/nfs/dbraw/zinc/14/38/50/202143850.db2.gz	XICHSOHLOMWDEJ-UHFFFAOYSA-N	0	2	338.816	3.617	10	30		EHEELN
CCN(CC)c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2O)c(O)c1	ZINC000004991891	210352871	/nfs/dbraw/zinc/35/28/71/210352871.db2.gz	GQZVLKBBXXKKEK-WOJGMQOQSA-N	0	2	329.356	3.603	10	30		EHEELN
C=CCSc1ccccc1NS(=O)(=O)c1cccnc1Cl	ZINC000037980027	213180849	/nfs/dbraw/zinc/18/08/49/213180849.db2.gz	AZNAOSHHEIJSEN-UHFFFAOYSA-N	0	2	340.857	3.814	10	30		EHEELN
Nc1c(F)c(F)c(-c2c(F)c(F)c(O)c(F)c2F)c(F)c1F	ZINC000100314818	219096535	/nfs/dbraw/zinc/09/65/35/219096535.db2.gz	XQVDHXHQZSQSTP-UHFFFAOYSA-N	0	2	329.146	3.754	10	30		EHEELN
Cc1ccc(Cc2c[nH]c(=NC(=O)N[C@@H]3CCO[C@@H]3C)s2)cc1F	ZINC000328924197	1022547118	/nfs/dbraw/zinc/54/71/18/1022547118.db2.gz	NMNIOGMEIXQOAQ-IAQYHMDHSA-N	0	2	349.431	3.685	10	30		EHEELN
N#Cc1c2ccc(O)cc2oc(=O)c1-c1nc2cc(Cl)ccc2o1	ZINC000004521318	210214120	/nfs/dbraw/zinc/21/41/20/210214120.db2.gz	MEQPFAHGQRHYMD-UHFFFAOYSA-N	0	2	338.706	3.832	10	30		EHEELN
O=[N+]([O-])c1ccc(O)c(/N=C\c2cc(Br)ccc2O)c1	ZINC000020458966	212133088	/nfs/dbraw/zinc/13/30/88/212133088.db2.gz	SUBBKZMSBSBDLO-CHHVJCJISA-N	0	2	337.129	3.519	10	30		EHEELN
O=C1Oc2ccccc2C(=O)C1=CNc1ccc(Br)cc1	ZINC000100056608	219089695	/nfs/dbraw/zinc/08/96/95/219089695.db2.gz	XEDZYGIZIABTGX-UKTHLTGXSA-N	0	2	344.164	3.547	10	30		EHEELN
CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000005158935	563995561	/nfs/dbraw/zinc/99/55/61/563995561.db2.gz	FUSADYLVRMROPL-UXBLZVDNSA-N	0	2	340.375	3.914	10	30	endogenous,in-man	EHEELN
COc1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)cc2c1OCCO2	ZINC000588480265	1023897692	/nfs/dbraw/zinc/89/76/92/1023897692.db2.gz	KMVFVDZEZWSHGA-RQOWECAXSA-N	0	2	346.766	3.722	10	30		EHEELN
Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(O)c(Cl)c3)ccc21	ZINC000588599302	1032451101	/nfs/dbraw/zinc/45/11/01/1032451101.db2.gz	XKNBLKFPOLCNJF-UTCJRWHESA-N	0	2	345.807	3.855	10	30		EHEELN
Cc1ccc(Cc2c[nH]c(=NC(=O)N[C@@H]3CCO[C@H]3C)s2)cc1F	ZINC000328924198	1022623752	/nfs/dbraw/zinc/62/37/52/1022623752.db2.gz	NMNIOGMEIXQOAQ-XHDPSFHLSA-N	0	2	349.431	3.685	10	30		EHEELN
Cc1ccc2c(c1CCCC(C)(C)O)C(=O)C(=O)C(C(C)C)=C2O	ZINC000019134768	563982957	/nfs/dbraw/zinc/98/29/57/563982957.db2.gz	SETMNJMIFBZFHB-UHFFFAOYSA-N	0	2	330.424	3.936	10	30	biogenic	EHEELN
Cc1ccc2c(c1CCCC(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O	ZINC000019134768	563982958	/nfs/dbraw/zinc/98/29/58/563982958.db2.gz	SETMNJMIFBZFHB-UHFFFAOYSA-N	0	2	330.424	3.936	10	30	biogenic	EHEELN
N#Cc1c(O)[nH]c(C(Cl)(Cl)Cl)c1C(=O)c1ccccc1	ZINC000072416667	216206843	/nfs/dbraw/zinc/20/68/43/216206843.db2.gz	LNCQKFZUBKKJCJ-UHFFFAOYSA-N	0	2	329.570	3.650	10	30		EHEELN
O=C1Oc2ccccc2C(=O)C1=CNc1ccc(C(F)(F)F)cc1	ZINC000100406356	219098232	/nfs/dbraw/zinc/09/82/32/219098232.db2.gz	VHNMRPREDYAAPP-UKTHLTGXSA-N	0	2	333.265	3.803	10	30		EHEELN