smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000010315422	570568539	/nfs/dbraw/zinc/56/85/39/570568539.db2.gz	JMQQXZLYZAJJNW-UHFFFAOYSA-N	2	0	390.358	5.038	10	0		GKAERP
CC[NH+](CC)CCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000013734652	221285365	/nfs/dbraw/zinc/28/53/65/221285365.db2.gz	JARZSUPGTQDABW-UHFFFAOYSA-N	2	0	397.994	5.473	10	0		GKAERP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000013734640	570783803	/nfs/dbraw/zinc/78/38/03/570783803.db2.gz	ZRVITXYMJXCTIW-UHFFFAOYSA-N	2	0	383.967	5.165	10	0		GKAERP
C[C@H]([NH3+])[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]([NH+](C)C)C4(C)C	ZINC000004098866	291150086	/nfs/dbraw/zinc/15/00/86/291150086.db2.gz	UVGUDMTZIJXYDY-XSWJKVCQSA-N	2	0	384.652	5.789	10	0	biogenic,in-vitro	GKAERP
Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125642	/nfs/dbraw/zinc/12/56/42/221125642.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	2	0	385.555	5.031	10	0		GKAERP
Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125819	/nfs/dbraw/zinc/12/58/19/221125819.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	2	0	385.555	5.031	10	0		GKAERP
C[NH2+]CCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000010315402	570568294	/nfs/dbraw/zinc/56/82/94/570568294.db2.gz	AQXUXZJJRREZFD-UHFFFAOYSA-N	2	0	390.358	5.004	10	0		GKAERP
C(/C=C/C=C/[NH+]1CCC(c2ccccc2)CC1)=[N+]1CCC(c2ccccc2)CC1	ZINC000090628403	206297912	/nfs/dbraw/zinc/29/79/12/206297912.db2.gz	KHAVSEINBAARJV-UHFFFAOYSA-N	2	0	385.575	5.597	10	0		GKAERP
[NH3+][C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000100278605	208373758	/nfs/dbraw/zinc/37/37/58/208373758.db2.gz	TYMZIBOVJZEECS-GASCZTMLSA-N	2	0	389.330	5.073	10	0		GKAERP