smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CC[NH+](C)CC4)c3)c2c1	ZINC000022451073	525682340	/nfs/dbraw/zinc/68/23/40/525682340.db2.gz	SUSDGTMJKOGWSZ-UHFFFAOYSA-N	2	2	462.981	5.247	40	10	in-vitro	JKCBLP
CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c1cc(C[NH+]1CCCC1)c(O)c2C[NH+]1CCCC1	ZINC000001867653	553999506	/nfs/dbraw/zinc/99/95/06/553999506.db2.gz	XTPQZIATVUXMSN-UHFFFAOYSA-N	2	2	476.661	6.084	40	10		JKCBLP
COc1cc(-c2ccc(/N=N\c3ccc(N)[nH+]c3N)c(OC)c2)ccc1/N=N/c1ccc(N)[nH+]c1N	ZINC000104231580	569843604	/nfs/dbraw/zinc/84/36/04/569843604.db2.gz	CHFBVODDBJMLEE-IUQQBYGBSA-N	2	2	484.524	5.320	40	10		JKCBLP
COc1cc(-c2ccc(/N=N/c3ccc(N)[nH+]c3N)c(OC)c2)ccc1/N=N/c1ccc(N)[nH+]c1N	ZINC000018251939	556316670	/nfs/dbraw/zinc/31/66/70/556316670.db2.gz	CHFBVODDBJMLEE-FMWAKIAMSA-N	2	2	484.524	5.320	40	10		JKCBLP
CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O	ZINC000001568075	194128295	/nfs/dbraw/zinc/12/82/95/194128295.db2.gz	ZXODOMROLXVJNM-UHFFFAOYSA-N	2	2	466.412	7.500	40	10		JKCBLP
COc1cc(-c2ccc(/N=N\c3ccc(N)[nH+]c3N)c(OC)c2)ccc1/N=N\c1ccc(N)[nH+]c1N	ZINC000104231574	569843707	/nfs/dbraw/zinc/84/37/07/569843707.db2.gz	CHFBVODDBJMLEE-WANSBIPISA-N	2	2	484.524	5.320	40	10		JKCBLP
CCCC[NH+](CCCCCCCCCC[N@@H+](CCCC)c1ccc(OC)cc1)c1ccc(OC)cc1	ZINC000004366759	520501506	/nfs/dbraw/zinc/50/15/06/520501506.db2.gz	OZSUIHPUZNZOJZ-UHFFFAOYSA-N	2	2	496.780	8.738	40	10		JKCBLP
CCCC[NH+](CCCCCCCCCC[N@H+](CCCC)c1ccc(OC)cc1)c1ccc(OC)cc1	ZINC000004366759	520501515	/nfs/dbraw/zinc/50/15/15/520501515.db2.gz	OZSUIHPUZNZOJZ-UHFFFAOYSA-N	2	2	496.780	8.738	40	10		JKCBLP