smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164835160	720615397	/nfs/dbraw/zinc/61/53/97/720615397.db2.gz	AEYGEQKPWQAGDL-GIFXNVAJSA-N	1	3	444.627	4.409	20	0		IIADHO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164835160	720615399	/nfs/dbraw/zinc/61/53/99/720615399.db2.gz	AEYGEQKPWQAGDL-GIFXNVAJSA-N	1	3	444.627	4.409	20	0		IIADHO
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1	ZINC001164965242	722061962	/nfs/dbraw/zinc/06/19/62/722061962.db2.gz	JUAHDYIKHVRKCX-RUZDIDTESA-N	1	3	449.643	4.143	20	0		IIADHO
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1	ZINC001164965242	722061965	/nfs/dbraw/zinc/06/19/65/722061965.db2.gz	JUAHDYIKHVRKCX-RUZDIDTESA-N	1	3	449.643	4.143	20	0		IIADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164972543	722153500	/nfs/dbraw/zinc/15/35/00/722153500.db2.gz	IJBXTCSOUXGFJU-JIMJEQGWSA-N	1	3	449.643	4.141	20	0		IIADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164972543	722153503	/nfs/dbraw/zinc/15/35/03/722153503.db2.gz	IJBXTCSOUXGFJU-JIMJEQGWSA-N	1	3	449.643	4.141	20	0		IIADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164972546	722153385	/nfs/dbraw/zinc/15/33/85/722153385.db2.gz	IJBXTCSOUXGFJU-NXCFDTQHSA-N	1	3	449.643	4.141	20	0		IIADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164972546	722153386	/nfs/dbraw/zinc/15/33/86/722153386.db2.gz	IJBXTCSOUXGFJU-NXCFDTQHSA-N	1	3	449.643	4.141	20	0		IIADHO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)CC[C@@H]21	ZINC001164835159	720616337	/nfs/dbraw/zinc/61/63/37/720616337.db2.gz	AEYGEQKPWQAGDL-CUYJMHBOSA-N	1	3	444.627	4.409	20	0		IIADHO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)CC[C@@H]21	ZINC001164835159	720616348	/nfs/dbraw/zinc/61/63/48/720616348.db2.gz	AEYGEQKPWQAGDL-CUYJMHBOSA-N	1	3	444.627	4.409	20	0		IIADHO
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1	ZINC001164965245	722062066	/nfs/dbraw/zinc/06/20/66/722062066.db2.gz	JUAHDYIKHVRKCX-VWLOTQADSA-N	1	3	449.643	4.143	20	0		IIADHO
CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1	ZINC001164965245	722062067	/nfs/dbraw/zinc/06/20/67/722062067.db2.gz	JUAHDYIKHVRKCX-VWLOTQADSA-N	1	3	449.643	4.143	20	0		IIADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164972539	722153410	/nfs/dbraw/zinc/15/34/10/722153410.db2.gz	IJBXTCSOUXGFJU-CYXNTTPDSA-N	1	3	449.643	4.141	20	0		IIADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164972539	722153411	/nfs/dbraw/zinc/15/34/11/722153411.db2.gz	IJBXTCSOUXGFJU-CYXNTTPDSA-N	1	3	449.643	4.141	20	0		IIADHO
COc1cc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2cc1OC	ZINC001164707515	719899183	/nfs/dbraw/zinc/89/91/83/719899183.db2.gz	SKJIOOVGIKYDNL-UHFFFAOYSA-N	1	3	439.581	4.185	20	0		IIADHO
COc1cc2cnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2cc1OC	ZINC001164707515	719899188	/nfs/dbraw/zinc/89/91/88/719899188.db2.gz	SKJIOOVGIKYDNL-UHFFFAOYSA-N	1	3	439.581	4.185	20	0		IIADHO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)CC[C@@H]21	ZINC001164835161	720616192	/nfs/dbraw/zinc/61/61/92/720616192.db2.gz	AEYGEQKPWQAGDL-LSQMVHIFSA-N	1	3	444.627	4.409	20	0		IIADHO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)CC[C@@H]21	ZINC001164835161	720616211	/nfs/dbraw/zinc/61/62/11/720616211.db2.gz	AEYGEQKPWQAGDL-LSQMVHIFSA-N	1	3	444.627	4.409	20	0		IIADHO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835162	720616888	/nfs/dbraw/zinc/61/68/88/720616888.db2.gz	AEYGEQKPWQAGDL-SONWIMMPSA-N	1	3	444.627	4.409	20	0		IIADHO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835162	720616893	/nfs/dbraw/zinc/61/68/93/720616893.db2.gz	AEYGEQKPWQAGDL-SONWIMMPSA-N	1	3	444.627	4.409	20	0		IIADHO
C[NH+]1CCC(Oc2ccnc(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)c2)CC1	ZINC001165044577	721940024	/nfs/dbraw/zinc/94/00/24/721940024.db2.gz	NUDORGUHBOKYFT-UHFFFAOYSA-N	1	3	437.975	4.083	20	0		IIADHO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)cc4ccccc43)CC2)CC1	ZINC001164618587	719032623	/nfs/dbraw/zinc/03/26/23/719032623.db2.gz	UYIGKJXYFSXABE-UHFFFAOYSA-N	1	3	436.600	4.079	20	0		IIADHO
C[NH+]1CCC(Oc2ccnc(N3CC(c4ncn5cc(-c6ccoc6)ccc45)C3)c2)CC1	ZINC001165015988	721768088	/nfs/dbraw/zinc/76/80/88/721768088.db2.gz	UXBKGGLMXOHAGE-UHFFFAOYSA-N	1	3	429.524	4.066	20	0		IIADHO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164972550	722153472	/nfs/dbraw/zinc/15/34/72/722153472.db2.gz	IJBXTCSOUXGFJU-TWJOJJKGSA-N	1	3	449.643	4.141	20	0		IIADHO
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164972550	722153473	/nfs/dbraw/zinc/15/34/73/722153473.db2.gz	IJBXTCSOUXGFJU-TWJOJJKGSA-N	1	3	449.643	4.141	20	0		IIADHO