smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2[nH+]c3c(C)cccn3c2Nc2ccccc2C)o1	ZINC000000201161	563578084	/nfs/dbraw/zinc/57/80/84/563578084.db2.gz	ZQQCRBQTOMGRKZ-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3ccccn3c2Nc2c(C)cccc2C)o1	ZINC000000201181	563577819	/nfs/dbraw/zinc/57/78/19/563577819.db2.gz	NYMHYIHRICNVON-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C)cc2)o1	ZINC000000426762	563612929	/nfs/dbraw/zinc/61/29/29/563612929.db2.gz	SUZJBYPBNCDHIM-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(C)cc2)o1	ZINC000000426769	563612810	/nfs/dbraw/zinc/61/28/10/563612810.db2.gz	XTZMHPTUHIVCJD-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccccc2C)o1	ZINC000000426771	563612541	/nfs/dbraw/zinc/61/25/41/563612541.db2.gz	FHNIMWSKCJKIIJ-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(F)cc2)o1	ZINC000000426775	180786606	/nfs/dbraw/zinc/78/66/06/180786606.db2.gz	FRTHTQXCQHMNPN-UHFFFAOYSA-N	1	2	321.355	5.094	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(C)cc2)o1	ZINC000000426778	563612926	/nfs/dbraw/zinc/61/29/26/563612926.db2.gz	CNSHKGPNKWHXGI-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccccc2C)o1	ZINC000000426780	563612803	/nfs/dbraw/zinc/61/28/03/563612803.db2.gz	LZRJGTKVXHSPNC-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(F)cc2)o1	ZINC000000426784	563612780	/nfs/dbraw/zinc/61/27/80/563612780.db2.gz	PJNHLEFEDGQOQX-UHFFFAOYSA-N	1	2	321.355	5.094	50	10		DKCALO
c1ccc(-c2[nH]c(C3CCCCC3)[nH+]c2-c2ccccc2)cc1	ZINC000001446453	563835159	/nfs/dbraw/zinc/83/51/59/563835159.db2.gz	LDMYJRJLSGLBHW-UHFFFAOYSA-N	1	2	302.421	5.791	50	10		DKCALO
CC(C)c1ccc(Nc2c(-c3ccco3)[nH+]c3ccccn32)cc1	ZINC000003906250	181056162	/nfs/dbraw/zinc/05/61/62/181056162.db2.gz	ALYCZDVRLDFRHR-UHFFFAOYSA-N	1	2	317.392	5.461	50	10		DKCALO
Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccccc2)o1	ZINC000003906254	181056101	/nfs/dbraw/zinc/05/61/01/181056101.db2.gz	YPYNRVXPWYZMHI-UHFFFAOYSA-N	1	2	323.783	5.300	50	10		DKCALO
Cc1ccccc1Nc1c(-c2ccco2)[nH+]c2ccc(Cl)cn21	ZINC000003906261	181056077	/nfs/dbraw/zinc/05/60/77/181056077.db2.gz	YTECVEZXNNUVFP-UHFFFAOYSA-N	1	2	323.783	5.300	50	10		DKCALO
Cc1ccc(Nc2c(-c3ccco3)[nH+]c3ccc(Cl)cn32)cc1	ZINC000003906263	181055847	/nfs/dbraw/zinc/05/58/47/181055847.db2.gz	OQEIKALTAZADMD-UHFFFAOYSA-N	1	2	323.783	5.300	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccccc2C)o1	ZINC000003909758	181057419	/nfs/dbraw/zinc/05/74/19/181057419.db2.gz	MSADVJKQCRMYCP-UHFFFAOYSA-N	1	2	317.392	5.263	50	10		DKCALO
Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(F)cc2)o1	ZINC000003909769	181057075	/nfs/dbraw/zinc/05/70/75/181057075.db2.gz	ONLUNWCPYPLTSD-UHFFFAOYSA-N	1	2	321.355	5.094	50	10		DKCALO
c1cc([NH+]2CCCCC2)ccc1OC12CC3CC(CC(C3)C1)C2	ZINC000005420878	563329904	/nfs/dbraw/zinc/32/99/04/563329904.db2.gz	NMFLMLJPBJHWSE-UHFFFAOYSA-N	1	2	311.469	5.025	50	10		DKCALO
CN(C)c1ccc(/C=C/C2=[NH+]c3ccccc3NC(C)(C)C2)cc1	ZINC000006721382	181377029	/nfs/dbraw/zinc/37/70/29/181377029.db2.gz	SNKZQCYBZVCDBR-FMIVXFBMSA-N	1	2	319.452	5.133	50	10		DKCALO
Cc1cccc2[nH+]c(-c3ccco3)c(Nc3cccc(Cl)c3)n21	ZINC000035616119	563453407	/nfs/dbraw/zinc/45/34/07/563453407.db2.gz	PGADNOSNYQJWCM-UHFFFAOYSA-N	1	2	323.783	5.300	50	10		DKCALO
Cc1ccc2[nH+]c(-c3ccco3)c(Nc3cccc(Cl)c3)n2c1	ZINC000035616143	563453451	/nfs/dbraw/zinc/45/34/51/563453451.db2.gz	GUVTZUUGYUZUNW-UHFFFAOYSA-N	1	2	323.783	5.300	50	10		DKCALO
CN(C)c1ccc(/C=C/c2c3ccccc3[nH+]c3ccccc23)cc1	ZINC000036381072	563454906	/nfs/dbraw/zinc/45/49/06/563454906.db2.gz	TZBOQOLGQXXDBU-DTQAZKPQSA-N	1	2	324.427	5.624	50	10		DKCALO
CC1=CC(N=Nc2ccccc2)=CC(=[NH+]Nc2ccccc2)C1=O	ZINC000102413386	563559404	/nfs/dbraw/zinc/55/94/04/563559404.db2.gz	RPZZLBYXHLWEOJ-DQPVQCHKSA-N	1	2	316.364	6.531	50	10		DKCALO
CN(C)c1ccc(/C=C\c2c3ccccc3[nH+]c3ccccc23)cc1	ZINC000212165772	563856380	/nfs/dbraw/zinc/85/63/80/563856380.db2.gz	TZBOQOLGQXXDBU-SSZFMOIBSA-N	1	2	324.427	5.624	50	10		DKCALO