smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(=O)CC[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823947992	609156806	/nfs/dbraw/zinc/15/68/06/609156806.db2.gz	AZNOQENIRRBRIO-UHFFFAOYSA-N	0	3	373.436	2.112	20	50		FEGDHN
CC(=NNC(=O)CC[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823947992	609156807	/nfs/dbraw/zinc/15/68/07/609156807.db2.gz	AZNOQENIRRBRIO-UHFFFAOYSA-N	0	3	373.436	2.112	20	50		FEGDHN
C[C@@H]([NH2+]CCCI)c1cccc(-c2nnn[n-]2)c1	ZINC000824584648	609294929	/nfs/dbraw/zinc/29/49/29/609294929.db2.gz	DCZJPOUDDIJZOU-SECBINFHSA-N	0	3	357.199	2.342	20	50		FEGDHN
C[C@@H]([NH2+]CCCI)c1cccc(-c2nn[n-]n2)c1	ZINC000824584648	609294930	/nfs/dbraw/zinc/29/49/30/609294930.db2.gz	DCZJPOUDDIJZOU-SECBINFHSA-N	0	3	357.199	2.342	20	50		FEGDHN
O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000826448924	607716689	/nfs/dbraw/zinc/71/66/89/607716689.db2.gz	SJWOHWCDGSRANK-UHFFFAOYSA-N	0	3	363.425	2.219	20	50		FEGDHN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(Nc2ccncc2)cc1	ZINC000826447258	607351105	/nfs/dbraw/zinc/35/11/05/607351105.db2.gz	WXNBIPLYLGLAJE-UHFFFAOYSA-N	0	3	372.392	2.184	20	50		FEGDHN
C[C@H]([NH2+]CCCI)c1cccc(-c2nnn[n-]2)c1	ZINC000824584649	609294633	/nfs/dbraw/zinc/29/46/33/609294633.db2.gz	DCZJPOUDDIJZOU-VIFPVBQESA-N	0	3	357.199	2.342	20	50		FEGDHN
C[C@H]([NH2+]CCCI)c1cccc(-c2nn[n-]n2)c1	ZINC000824584649	609294635	/nfs/dbraw/zinc/29/46/35/609294635.db2.gz	DCZJPOUDDIJZOU-VIFPVBQESA-N	0	3	357.199	2.342	20	50		FEGDHN
CC[NH+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000825416826	607722484	/nfs/dbraw/zinc/72/24/84/607722484.db2.gz	MOXOLBCYCPUFFJ-UHFFFAOYSA-N	0	3	365.441	2.465	20	50		FEGDHN
CC[NH+](CC)Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000825416826	607722487	/nfs/dbraw/zinc/72/24/87/607722487.db2.gz	MOXOLBCYCPUFFJ-UHFFFAOYSA-N	0	3	365.441	2.465	20	50		FEGDHN
CC(=NNC(=O)CC[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)s1	ZINC000823948756	608094513	/nfs/dbraw/zinc/09/45/13/608094513.db2.gz	WNGUBPYIPJRCFA-UHFFFAOYSA-N	0	3	361.475	2.035	20	50		FEGDHN
CC(=NNC(=O)CC[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823948432	609275396	/nfs/dbraw/zinc/27/53/96/609275396.db2.gz	MMSOLZLYDPEOMX-UHFFFAOYSA-N	0	3	373.436	2.112	20	50		FEGDHN
CC(=NNC(=O)CC[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823948432	609275397	/nfs/dbraw/zinc/27/53/97/609275397.db2.gz	MMSOLZLYDPEOMX-UHFFFAOYSA-N	0	3	373.436	2.112	20	50		FEGDHN
O=C(NNc1ccncc1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000826449805	609173058	/nfs/dbraw/zinc/17/30/58/609173058.db2.gz	KNYGISYZVWREPT-UHFFFAOYSA-N	0	3	372.392	2.184	20	50		FEGDHN
O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000826447067	607342622	/nfs/dbraw/zinc/34/26/22/607342622.db2.gz	LNPQPGPBJFYEDK-UHFFFAOYSA-N	0	3	363.425	2.219	20	50		FEGDHN