smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)[nH+]1	ZINC000189896290	524685436	/nfs/dbraw/zinc/68/54/36/524685436.db2.gz	HTELHEZJHBFGDC-FUHWJXTLSA-N	2	1	320.440	3.757	10	30		DHEEMP
Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)[nH+]1	ZINC000189896290	524685453	/nfs/dbraw/zinc/68/54/53/524685453.db2.gz	HTELHEZJHBFGDC-FUHWJXTLSA-N	2	1	320.440	3.757	10	30		DHEEMP
C=CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195278825	335102928	/nfs/dbraw/zinc/10/29/28/335102928.db2.gz	MMEHUUVZSUMMRM-IBGZPJMESA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000195278825	335102929	/nfs/dbraw/zinc/10/29/29/335102929.db2.gz	MMEHUUVZSUMMRM-IBGZPJMESA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195278825	335102930	/nfs/dbraw/zinc/10/29/30/335102930.db2.gz	MMEHUUVZSUMMRM-IBGZPJMESA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195278825	335102931	/nfs/dbraw/zinc/10/29/31/335102931.db2.gz	MMEHUUVZSUMMRM-IBGZPJMESA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195278835	335102913	/nfs/dbraw/zinc/10/29/13/335102913.db2.gz	MMEHUUVZSUMMRM-LJQANCHMSA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000195278835	335102914	/nfs/dbraw/zinc/10/29/14/335102914.db2.gz	MMEHUUVZSUMMRM-LJQANCHMSA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195278835	335102915	/nfs/dbraw/zinc/10/29/15/335102915.db2.gz	MMEHUUVZSUMMRM-LJQANCHMSA-N	2	1	301.478	3.582	10	30		DHEEMP
C=CCCCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195278835	335102916	/nfs/dbraw/zinc/10/29/16/335102916.db2.gz	MMEHUUVZSUMMRM-LJQANCHMSA-N	2	1	301.478	3.582	10	30		DHEEMP
c1ccc2c(c1)NC(=[NH+]C1CCCCCC1)C1(CC[NH2+]CC1)N2	ZINC000015862363	182022694	/nfs/dbraw/zinc/02/26/94/182022694.db2.gz	ATDFUIBTCCPQGA-UHFFFAOYSA-N	2	1	312.461	3.768	10	30		DHEEMP
CC[NH+](CC)CC#CCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000584624418	337375337	/nfs/dbraw/zinc/37/53/37/337375337.db2.gz	FXFZQWXJXDXZGX-UHFFFAOYSA-N	2	1	301.821	3.645	10	30		DHEEMP