smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[NH+](CCCCC)CCCNc1c2cc(OC)ccc2nc2c1CCCC2	ZINC000004353006	555988881	/nfs/dbraw/zinc/98/88/81/555988881.db2.gz	PNXGMEQMNMCGQN-UHFFFAOYSA-N	1	3	425.661	6.607	40	0		IKABHO
CC(C)CC[NH+](CCCNc1c2cc(Cl)ccc2nc2c1CCCC2)CCC(C)C	ZINC000001640931	555707944	/nfs/dbraw/zinc/70/79/44/555707944.db2.gz	SGVIRPUDACHDRW-UHFFFAOYSA-N	1	3	430.080	6.963	40	0		IKABHO
CC(C)CC[NH+](CCCNc1c2ccc(Cl)cc2nc2c1CCCC2)CCC(C)C	ZINC000001873690	555722297	/nfs/dbraw/zinc/72/22/97/555722297.db2.gz	UAXRUCKKJSLJJA-UHFFFAOYSA-N	1	3	430.080	6.963	40	0		IKABHO
CCCCC[NH+](CCCCC)CCCNc1c2cc(Cl)ccc2nc2c1CCCC2	ZINC000004353007	555988989	/nfs/dbraw/zinc/98/89/89/555988989.db2.gz	VANLVMAOAPXBHN-UHFFFAOYSA-N	1	3	430.080	7.251	40	0		IKABHO
CCCCC[NH+](CCCCC)CCCNc1c2ccc(Cl)cc2nc2c1CCCC2	ZINC000004742567	556009126	/nfs/dbraw/zinc/00/91/26/556009126.db2.gz	RDFRAONORPNIHO-UHFFFAOYSA-N	1	3	430.080	7.251	40	0		IKABHO
CC(C)CN(CC(C)C)CC(C[NH+](CC(C)C)CC(C)C)OC(=O)Nc1ccccc1	ZINC000004777809	556011483	/nfs/dbraw/zinc/01/14/83/556011483.db2.gz	LUVABQGXTJXMOX-UHFFFAOYSA-N	1	3	433.681	5.832	40	0		IKABHO
CCCCC[NH+](CCCCC)CCCNc1c2c(nc3cccc(Cl)c31)CCCC2	ZINC000005742855	556064463	/nfs/dbraw/zinc/06/44/63/556064463.db2.gz	MXHNQQXJZLVFRF-UHFFFAOYSA-N	1	3	430.080	7.251	40	0		IKABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000016163130	556586982	/nfs/dbraw/zinc/58/69/82/556586982.db2.gz	KYWGILXBBWBZBE-UHFFFAOYSA-N	1	3	431.791	5.276	40	0		IKABHO
C(=C/C[NH+](Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1	ZINC000016969261	556651520	/nfs/dbraw/zinc/65/15/20/556651520.db2.gz	DROKKWZETPKKGN-BUHFOSPRSA-N	1	3	446.638	6.947	40	0		IKABHO
C(=C\C[NH+](Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1	ZINC000004692022	556006312	/nfs/dbraw/zinc/00/63/12/556006312.db2.gz	DROKKWZETPKKGN-YPKPFQOOSA-N	1	3	446.638	6.947	40	0		IKABHO
c1ccc(C2=N[C@@](CC[NH+]3CCCCC3)(c3ccccc3)S[C@H]2CN2CCCCC2)cc1	ZINC000005496354	556056590	/nfs/dbraw/zinc/05/65/90/556056590.db2.gz	SMXZOBMDDWDWME-XTEPFMGCSA-N	1	3	447.692	5.806	40	0		IKABHO
c1ccc(C2=N[C@](CC[NH+]3CCCCC3)(c3ccccc3)S[C@@H]2CN2CCCCC2)cc1	ZINC000005496353	556056550	/nfs/dbraw/zinc/05/65/50/556056550.db2.gz	SMXZOBMDDWDWME-IAPPQJPRSA-N	1	3	447.692	5.806	40	0		IKABHO
Clc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)CC2CC[NH2+]CC2)cc1Cl	ZINC000072203725	557340905	/nfs/dbraw/zinc/34/09/05/557340905.db2.gz	ZQSPGABGWYAIDA-UHFFFAOYSA-N	1	3	432.222	6.302	40	0		IKABHO
COc1ccc2nc3c(c(NCCC[NH+](CCC(C)C)CCC(C)C)c2c1)CCCC3	ZINC000001591943	555704926	/nfs/dbraw/zinc/70/49/26/555704926.db2.gz	GSUAYAOUPHHXPJ-UHFFFAOYSA-N	1	3	425.661	6.318	40	0		IKABHO
CC(C)CC[NH+](CCCNc1c2c(nc3cccc(Cl)c31)CCCC2)CCC(C)C	ZINC000001873689	555722299	/nfs/dbraw/zinc/72/22/99/555722299.db2.gz	XIBRBFLOVLBTAB-UHFFFAOYSA-N	1	3	430.080	6.963	40	0		IKABHO
c1ccc(C2=N[C@](CC[NH+]3CCCCC3)(c3ccccc3)S[C@H]2CN2CCCCC2)cc1	ZINC000005496355	556056479	/nfs/dbraw/zinc/05/64/79/556056479.db2.gz	SMXZOBMDDWDWME-XCZPVHLTSA-N	1	3	447.692	5.806	40	0		IKABHO
c1ccc(C2=N[C@@](CC[NH+]3CCCCC3)(c3ccccc3)S[C@@H]2CN2CCCCC2)cc1	ZINC000005496352	556056580	/nfs/dbraw/zinc/05/65/80/556056580.db2.gz	SMXZOBMDDWDWME-IXCJQBJRSA-N	1	3	447.692	5.806	40	0		IKABHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000016688569	556626722	/nfs/dbraw/zinc/62/67/22/556626722.db2.gz	LDODLDUNHHLLKG-UHFFFAOYSA-N	1	3	445.818	5.666	40	0		IKABHO