smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881135	230395664	/nfs/dbraw/zinc/39/56/64/230395664.db2.gz	JMJYTHQXNQTBRR-LPHOPBHVSA-N	1	3	297.446	3.454	50	30		CGEAHO
N#C[C@@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881167	230395795	/nfs/dbraw/zinc/39/57/95/230395795.db2.gz	JMJYTHQXNQTBRR-APWZRJJASA-N	1	3	297.446	3.454	50	30		CGEAHO
C(=N/CCCCCC/[NH+]=C/c1ccc[nH]1)\c1ccc[nH]1	ZINC000003155578	344857964	/nfs/dbraw/zinc/85/79/64/344857964.db2.gz	OIHKYKARHKYIAS-HBKJEHTGSA-N	1	3	270.380	3.441	50	30		CGEAHO
CC(C)(CCC#N)C[NH2+]C1CC(C)(C)NC(C)(C)C1	ZINC000097095572	392260124	/nfs/dbraw/zinc/26/01/24/392260124.db2.gz	ZZGKDCVDIWBIDH-UHFFFAOYSA-N	1	3	265.445	3.215	50	30		CGEAHO
C=CCC1(NCc2ccccc2)CC[NH+](CC)CC1	ZINC000068728339	518691203	/nfs/dbraw/zinc/69/12/03/518691203.db2.gz	WPVUQERBZHTOEV-UHFFFAOYSA-N	1	3	258.409	3.207	50	30		CGEAHO
N#C[C@@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881151	230395739	/nfs/dbraw/zinc/39/57/39/230395739.db2.gz	JMJYTHQXNQTBRR-VQIMIIECSA-N	1	3	297.446	3.454	50	30		CGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000004785515	170016987	/nfs/dbraw/zinc/01/69/87/170016987.db2.gz	QEPBLEHAIHRYMK-GPILYODUSA-N	1	3	298.433	3.057	50	30		CGEAHO
N#C[C@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000185881115	534748869	/nfs/dbraw/zinc/74/88/69/534748869.db2.gz	JMJYTHQXNQTBRR-QFBILLFUSA-N	1	3	297.446	3.454	50	30		CGEAHO
C[N@@H+]1CCCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000215990900	376154902	/nfs/dbraw/zinc/15/49/02/376154902.db2.gz	HDHGPXJQFAEYKP-UHFFFAOYSA-N	1	3	297.446	3.256	50	30		CGEAHO
C[N@H+]1CCCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000215990900	376154908	/nfs/dbraw/zinc/15/49/08/376154908.db2.gz	HDHGPXJQFAEYKP-UHFFFAOYSA-N	1	3	297.446	3.256	50	30		CGEAHO
C(=N\CCCCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000109860805	397653455	/nfs/dbraw/zinc/65/34/55/397653455.db2.gz	OIHKYKARHKYIAS-JTFWXBGUSA-N	1	3	270.380	3.441	50	30		CGEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccco1	ZINC000004785514	170017168	/nfs/dbraw/zinc/01/71/68/170017168.db2.gz	QEPBLEHAIHRYMK-PDICVPPASA-N	1	3	298.433	3.057	50	30		CGEAHO
N#Cc1cccc(CN2CCC(C[NH+]3CCCCC3)CC2)c1	ZINC000065407248	369673616	/nfs/dbraw/zinc/67/36/16/369673616.db2.gz	PODAYRGYELWGFJ-UHFFFAOYSA-N	1	3	297.446	3.256	50	30		CGEAHO
CC[NH+](CC)CC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000047973831	369332775	/nfs/dbraw/zinc/33/27/75/369332775.db2.gz	LFSYKVMKCRRZKB-UHFFFAOYSA-N	1	3	285.435	3.112	50	30		CGEAHO