smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(c2c(O)[nH]c(=O)[nH]c2=O)C2C(=O)NC(=O)N=C2[O-])cc1C[NH+]1CCCC1	ZINC000009310746	555086837	/nfs/dbraw/zinc/08/68/37/555086837.db2.gz	IIZHYLBFDMITBO-UHFFFAOYSA-N	0	2	457.443	-0.364	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000025762846	556232460	/nfs/dbraw/zinc/23/24/60/556232460.db2.gz	GZBOSHMMYYUGMO-ADGXKJENSA-N	0	2	461.416	-0.932	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000025762846	556232454	/nfs/dbraw/zinc/23/24/54/556232454.db2.gz	GZBOSHMMYYUGMO-ADGXKJENSA-N	0	2	461.416	-0.932	50	0		JBAALN
COCCCNC(=O)C[NH+]1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2C(=O)[O-])CC1	ZINC000032961701	556578660	/nfs/dbraw/zinc/57/86/60/556578660.db2.gz	NNVZKCOMTLZMAI-UHFFFAOYSA-N	0	2	457.553	-0.122	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000095871250	569729339	/nfs/dbraw/zinc/72/93/39/569729339.db2.gz	GZBOSHMMYYUGMO-SDBHATRESA-N	0	2	461.416	-0.932	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000095871250	569729338	/nfs/dbraw/zinc/72/93/38/569729338.db2.gz	GZBOSHMMYYUGMO-SDBHATRESA-N	0	2	461.416	-0.932	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000101180458	569786314	/nfs/dbraw/zinc/78/63/14/569786314.db2.gz	GZBOSHMMYYUGMO-CKRXIKOQSA-N	0	2	461.416	-0.932	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000101180458	569786312	/nfs/dbraw/zinc/78/63/12/569786312.db2.gz	GZBOSHMMYYUGMO-CKRXIKOQSA-N	0	2	461.416	-0.932	50	0		JBAALN
Cc1cc(N=c2c3nnnn3c3ccccc3n2C2(O)C(=O)NC(=O)NC2=O)n(-c2ccccc2)n1	ZINC000254841503	1069095822	/nfs/dbraw/zinc/09/58/22/1069095822.db2.gz	PKKNYGIBFZYAIP-UHFFFAOYSA-N	0	2	484.436	-0.183	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000256072138	570107151	/nfs/dbraw/zinc/10/71/51/570107151.db2.gz	GZBOSHMMYYUGMO-JDTTZNEISA-N	0	2	461.416	-0.932	50	0		JBAALN
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000256072138	570107150	/nfs/dbraw/zinc/10/71/50/570107150.db2.gz	GZBOSHMMYYUGMO-JDTTZNEISA-N	0	2	461.416	-0.932	50	0		JBAALN
Cn1c(O)c([C@H]2Cc3cc4c(cc3CC23C(=O)N(C)C(=O)N(C)C3=O)OCO4)c(=O)n(C)c1=O	ZINC000263586737	570171872	/nfs/dbraw/zinc/17/18/72/570171872.db2.gz	XIRNFKNNSUOTTJ-GFCCVEGCSA-N	0	2	470.438	-0.167	50	0		JBAALN
Cn1c(O)c([C@@H]2Cc3cc4c(cc3CC23C(=O)N(C)C(=O)N(C)C3=O)OCO4)c(=O)n(C)c1=O	ZINC000263586738	570171834	/nfs/dbraw/zinc/17/18/34/570171834.db2.gz	XIRNFKNNSUOTTJ-LBPRGKRZSA-N	0	2	470.438	-0.167	50	0		JBAALN
CN(C)c1ccc(C(c2c(O)[nH]c(=S)[nH]c2=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1Br	ZINC000334161447	570184863	/nfs/dbraw/zinc/18/48/63/570184863.db2.gz	ZLEOLVYMTIPVKH-UHFFFAOYSA-N	0	2	498.384	-0.107	50	0		JBAALN