smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)[C@H](C)C(C)C)c1	ZINC000036065564	569085852	/nfs/dbraw/zinc/08/58/52/569085852.db2.gz	YPUMHYIQZAFNEA-HXUWFJFHSA-N	2	2	412.578	3.726	10	0		HHAELP
Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)[C@H](C)C(C)C)c1	ZINC000036065564	569085853	/nfs/dbraw/zinc/08/58/53/569085853.db2.gz	YPUMHYIQZAFNEA-HXUWFJFHSA-N	2	2	412.578	3.726	10	0		HHAELP
CCc1[nH]c(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)[nH+]1	ZINC000011936523	559268786	/nfs/dbraw/zinc/26/87/86/559268786.db2.gz	WANCHVMCJDZVCY-UHFFFAOYSA-N	2	2	410.497	3.706	10	0		HHAELP
Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)[C@@H](C)C(C)C)c1	ZINC000036065563	569085867	/nfs/dbraw/zinc/08/58/67/569085867.db2.gz	YPUMHYIQZAFNEA-FQEVSTJZSA-N	2	2	412.578	3.726	10	0		HHAELP
Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)[C@@H](C)C(C)C)c1	ZINC000036065563	569085868	/nfs/dbraw/zinc/08/58/68/569085868.db2.gz	YPUMHYIQZAFNEA-FQEVSTJZSA-N	2	2	412.578	3.726	10	0		HHAELP
CC(C)Nc1[nH+]ncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O	ZINC000085347788	559056611	/nfs/dbraw/zinc/05/66/11/559056611.db2.gz	IYVRPMGQWZOBHM-UHFFFAOYSA-N	2	2	403.530	3.914	10	0		HHAELP
CC[NH+]1CCN(C(=O)Cn2ccc3c2cc[nH+]c3SCc2ccc(F)cc2)CC1	ZINC000033298581	571316086	/nfs/dbraw/zinc/31/60/86/571316086.db2.gz	NOYQEHGIKXDDQE-UHFFFAOYSA-N	2	2	412.534	3.632	10	0		HHAELP
Cc1c(C[NH2+]CC[NH2+]CCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000020477656	558374454	/nfs/dbraw/zinc/37/44/54/558374454.db2.gz	ATMQRSPGIGPESJ-UHFFFAOYSA-N	2	2	406.357	3.976	10	0		HHAELP
C[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000011821104	558284314	/nfs/dbraw/zinc/28/43/14/558284314.db2.gz	JBJPDQZTJPZHJP-QFIPXVFZSA-N	2	2	417.981	3.983	10	0		HHAELP
C[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000011821104	558284316	/nfs/dbraw/zinc/28/43/16/558284316.db2.gz	JBJPDQZTJPZHJP-QFIPXVFZSA-N	2	2	417.981	3.983	10	0		HHAELP
C[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000011821105	558284577	/nfs/dbraw/zinc/28/45/77/558284577.db2.gz	JBJPDQZTJPZHJP-JOCHJYFZSA-N	2	2	417.981	3.983	10	0		HHAELP
C[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000011821105	558284580	/nfs/dbraw/zinc/28/45/80/558284580.db2.gz	JBJPDQZTJPZHJP-JOCHJYFZSA-N	2	2	417.981	3.983	10	0		HHAELP
Cc1cccc(N2CC[NH+](CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CC2)c1	ZINC000001664024	132247364	/nfs/dbraw/zinc/24/73/64/132247364.db2.gz	SEWDRIZLGRHSGK-UHFFFAOYSA-N	2	2	413.009	3.983	10	0		HHAELP
CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340262	569141464	/nfs/dbraw/zinc/14/14/64/569141464.db2.gz	WRHLFEKLMSWGJE-FQEVSTJZSA-N	2	2	402.970	3.621	10	0		HHAELP
COc1ccc2c(C[N@H+](Cc3ccccc3OC)C3CC[NH+](C)CC3)cc(=O)oc2c1	ZINC000020352984	558356859	/nfs/dbraw/zinc/35/68/59/558356859.db2.gz	AUENUDVNOOKZQU-UHFFFAOYSA-N	2	2	422.525	3.907	10	0		HHAELP
COc1ccc2c(C[N@@H+](Cc3ccccc3OC)C3CC[NH+](C)CC3)cc(=O)oc2c1	ZINC000020352984	558356860	/nfs/dbraw/zinc/35/68/60/558356860.db2.gz	AUENUDVNOOKZQU-UHFFFAOYSA-N	2	2	422.525	3.907	10	0		HHAELP
CC[N@H+](Cc1ccoc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1	ZINC000034836504	558784722	/nfs/dbraw/zinc/78/47/22/558784722.db2.gz	XPONWUWLZJLMGU-UHFFFAOYSA-N	2	2	411.525	3.687	10	0		HHAELP
CC[N@@H+](Cc1ccoc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1	ZINC000034836504	558784725	/nfs/dbraw/zinc/78/47/25/558784725.db2.gz	XPONWUWLZJLMGU-UHFFFAOYSA-N	2	2	411.525	3.687	10	0		HHAELP
Cc1cccc(N2CC[NH+](CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1	ZINC000001664023	132247451	/nfs/dbraw/zinc/24/74/51/132247451.db2.gz	LNQXINFPONPJPB-UHFFFAOYSA-N	2	2	413.009	3.983	10	0		HHAELP
CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340263	569141720	/nfs/dbraw/zinc/14/17/20/569141720.db2.gz	WRHLFEKLMSWGJE-HXUWFJFHSA-N	2	2	402.970	3.621	10	0		HHAELP
Cc1ccccc1N1CC[NH+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000001664021	132247383	/nfs/dbraw/zinc/24/73/83/132247383.db2.gz	VLJKPEFVSBSIDH-UHFFFAOYSA-N	2	2	413.009	3.983	10	0		HHAELP
CCCNc1[nH+]ncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O	ZINC000085347790	559056642	/nfs/dbraw/zinc/05/66/42/559056642.db2.gz	DEYCWTZSEDUSAP-UHFFFAOYSA-N	2	2	403.530	3.916	10	0		HHAELP