smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000481930654	568189668	/nfs/dbraw/zinc/18/96/68/568189668.db2.gz	GUZZDHIIDGWCFL-XMMPIXPASA-N	2	1	359.517	4.580	20	30		FJEDMP
CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481916496	568182625	/nfs/dbraw/zinc/18/26/25/568182625.db2.gz	GGAQDTUHSNSCJI-DEOSSOPVSA-N	2	1	361.533	4.956	20	30		FJEDMP
CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481916499	568182680	/nfs/dbraw/zinc/18/26/80/568182680.db2.gz	GGAQDTUHSNSCJI-XMMPIXPASA-N	2	1	361.533	4.956	20	30		FJEDMP
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000481930653	568189702	/nfs/dbraw/zinc/18/97/02/568189702.db2.gz	GUZZDHIIDGWCFL-DEOSSOPVSA-N	2	1	359.517	4.580	20	30		FJEDMP
C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000481991527	568216021	/nfs/dbraw/zinc/21/60/21/568216021.db2.gz	LDNRMTKHRDVXHV-XTQVGHSUSA-N	2	1	351.538	4.568	20	30		FJEDMP
CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481656901	568082064	/nfs/dbraw/zinc/08/20/64/568082064.db2.gz	LQYZFYVEKOPJDJ-XMMPIXPASA-N	2	1	361.533	4.956	20	30		FJEDMP
CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481656900	568082261	/nfs/dbraw/zinc/08/22/61/568082261.db2.gz	LQYZFYVEKOPJDJ-DEOSSOPVSA-N	2	1	361.533	4.956	20	30		FJEDMP
C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000481991526	568215993	/nfs/dbraw/zinc/21/59/93/568215993.db2.gz	LDNRMTKHRDVXHV-WGGBDISSSA-N	2	1	351.538	4.568	20	30		FJEDMP
C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000481991524	568215999	/nfs/dbraw/zinc/21/59/99/568215999.db2.gz	LDNRMTKHRDVXHV-KPDCDPCYSA-N	2	1	351.538	4.568	20	30		FJEDMP
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000481926256	568188945	/nfs/dbraw/zinc/18/89/45/568188945.db2.gz	XGSKLBSGTIICKP-RUZDIDTESA-N	2	1	373.544	4.622	20	30		FJEDMP
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000481926257	568188954	/nfs/dbraw/zinc/18/89/54/568188954.db2.gz	XGSKLBSGTIICKP-VWLOTQADSA-N	2	1	373.544	4.622	20	30		FJEDMP
C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000481991525	568216042	/nfs/dbraw/zinc/21/60/42/568216042.db2.gz	LDNRMTKHRDVXHV-NYDSKATKSA-N	2	1	351.538	4.568	20	30		FJEDMP