smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccccc2)C1	ZINC000027181563	202152994	/nfs/dbraw/zinc/15/29/94/202152994.db2.gz	OBYRGLTUYUPMBP-INIZCTEOSA-N	0	1	331.843	4.151	1	10		EICFMN
CCC[N@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccccc2)C1	ZINC000027181563	202152998	/nfs/dbraw/zinc/15/29/98/202152998.db2.gz	OBYRGLTUYUPMBP-INIZCTEOSA-N	0	1	331.843	4.151	1	10		EICFMN
COc1ccc(N=Nc2c(=O)o[nH]c2-c2ccc(OC)cc2)cc1	ZINC000101781111	204022650	/nfs/dbraw/zinc/02/26/50/204022650.db2.gz	ZWNNAQOPKFRGPE-VHEBQXMUSA-N	0	1	325.324	4.480	1	10		EICFMN
CCC[N@@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccccc2)C1	ZINC000027181558	202152274	/nfs/dbraw/zinc/15/22/74/202152274.db2.gz	OBYRGLTUYUPMBP-MRXNPFEDSA-N	0	1	331.843	4.151	1	10		EICFMN
CCC[N@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccccc2)C1	ZINC000027181558	202152277	/nfs/dbraw/zinc/15/22/77/202152277.db2.gz	OBYRGLTUYUPMBP-MRXNPFEDSA-N	0	1	331.843	4.151	1	10		EICFMN
NC1=Nn2c(nc(-c3ccccc3)cc2=O)C1=NNc1ccccc1	ZINC000102722929	204046882	/nfs/dbraw/zinc/04/68/82/204046882.db2.gz	ZTNMGLZFDBALHQ-DQRAZIAOSA-N	0	1	330.351	4.100	1	10		EICFMN
[O-]c1ccc2ccccc2c1[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000072179774	216065668	/nfs/dbraw/zinc/06/56/68/216065668.db2.gz	IKSJYUYNLDBJBH-JOCHJYFZSA-N	0	1	333.431	4.092	1	10		EICFMN
NC1=Nn2c(nc(-c3ccccc3)cc2=O)C1=NNc1ccccc1	ZINC000101957849	219175886	/nfs/dbraw/zinc/17/58/86/219175886.db2.gz	ZTNMGLZFDBALHQ-QURGRASLSA-N	0	1	330.351	4.100	1	10		EICFMN
[O-]c1ccc2ccccc2c1[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000072179773	216066368	/nfs/dbraw/zinc/06/63/68/216066368.db2.gz	IKSJYUYNLDBJBH-QFIPXVFZSA-N	0	1	333.431	4.092	1	10		EICFMN
COc1cccc(-c2ccc([O-])c(C[N@H+](C)C3CCCCC3)c2)n1	ZINC000011786184	211247816	/nfs/dbraw/zinc/24/78/16/211247816.db2.gz	TVBHQIJOEUTJHG-UHFFFAOYSA-N	0	1	326.440	4.227	1	10		EICFMN
COc1cccc(-c2ccc([O-])c(C[N@@H+](C)C3CCCCC3)c2)n1	ZINC000011786184	211247818	/nfs/dbraw/zinc/24/78/18/211247818.db2.gz	TVBHQIJOEUTJHG-UHFFFAOYSA-N	0	1	326.440	4.227	1	10		EICFMN