smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)C1([NH+]2CCOCC2)CCCCC1	ZINC000218206808	136203689	/nfs/dbraw/zinc/20/36/89/136203689.db2.gz	XGUHNUDXPWUGLW-LJQANCHMSA-N	2	2	386.540	2.449	50	70		GEIALP
Cc1cccc(N2CC[NH+](CC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)CC2)c1	ZINC000218385962	136203669	/nfs/dbraw/zinc/20/36/69/136203669.db2.gz	HFDGQWDUFCQNGD-FQEVSTJZSA-N	2	2	381.524	2.252	50	70		GEIALP
Cc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)[nH]1	ZINC000217788002	570321692	/nfs/dbraw/zinc/32/16/92/570321692.db2.gz	LSMRBCHHEJCLJS-LJQANCHMSA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)[nH]1	ZINC000217788002	570321693	/nfs/dbraw/zinc/32/16/93/570321693.db2.gz	LSMRBCHHEJCLJS-LJQANCHMSA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)n1	ZINC000217788002	570321696	/nfs/dbraw/zinc/32/16/96/570321696.db2.gz	LSMRBCHHEJCLJS-LJQANCHMSA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)n1	ZINC000217788002	570321698	/nfs/dbraw/zinc/32/16/98/570321698.db2.gz	LSMRBCHHEJCLJS-LJQANCHMSA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)[nH]1	ZINC000217788080	570321765	/nfs/dbraw/zinc/32/17/65/570321765.db2.gz	LSMRBCHHEJCLJS-IBGZPJMESA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)[nH]1	ZINC000217788080	570321766	/nfs/dbraw/zinc/32/17/66/570321766.db2.gz	LSMRBCHHEJCLJS-IBGZPJMESA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)n1	ZINC000217788080	570321768	/nfs/dbraw/zinc/32/17/68/570321768.db2.gz	LSMRBCHHEJCLJS-IBGZPJMESA-N	2	2	385.512	2.204	50	70		GEIALP
Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCOCC3)C2)n1	ZINC000217788080	570321770	/nfs/dbraw/zinc/32/17/70/570321770.db2.gz	LSMRBCHHEJCLJS-IBGZPJMESA-N	2	2	385.512	2.204	50	70		GEIALP
COc1ccccc1-n1cc([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C)CC2)cn1	ZINC000218172794	570327152	/nfs/dbraw/zinc/32/71/52/570327152.db2.gz	BJRQUXCJNSBSPK-MRXNPFEDSA-N	2	2	385.512	2.084	50	70		GEIALP
COc1ccccc1-n1cc([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C)CC2)cn1	ZINC000218172794	570327153	/nfs/dbraw/zinc/32/71/53/570327153.db2.gz	BJRQUXCJNSBSPK-MRXNPFEDSA-N	2	2	385.512	2.084	50	70		GEIALP
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[NH+]1CCCCC1	ZINC000218121949	136203585	/nfs/dbraw/zinc/20/35/85/136203585.db2.gz	QIYWCNHBAZNPIR-UHFFFAOYSA-N	2	2	396.535	2.399	50	70		GEIALP
Nc1nc(N2CCN(c3ccc(F)c(Cl)c3)CC2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1	ZINC000218249201	136203755	/nfs/dbraw/zinc/20/37/55/136203755.db2.gz	MAVJUFFHMONKAH-TXEJJXNPSA-N	2	2	376.867	2.383	50	70		GEIALP
COc1ccccc1-n1cc([C@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C)CC2)cn1	ZINC000218172880	570327205	/nfs/dbraw/zinc/32/72/05/570327205.db2.gz	BJRQUXCJNSBSPK-INIZCTEOSA-N	2	2	385.512	2.084	50	70		GEIALP
COc1ccccc1-n1cc([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C)CC2)cn1	ZINC000218172880	570327206	/nfs/dbraw/zinc/32/72/06/570327206.db2.gz	BJRQUXCJNSBSPK-INIZCTEOSA-N	2	2	385.512	2.084	50	70		GEIALP
O=c1cc(C[NH+]2CCCCC2)oc(CN2CC[NH+](Cc3cccnc3)CC2)c1O	ZINC000218568456	570928582	/nfs/dbraw/zinc/92/85/82/570928582.db2.gz	XOPONGQQCYWJCO-UHFFFAOYSA-N	2	2	398.507	2.044	50	70		GEIALP
Cc1cccc(N2CC[NH+](CC(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)CC2)c1	ZINC000218386046	136203626	/nfs/dbraw/zinc/20/36/26/136203626.db2.gz	HFDGQWDUFCQNGD-HXUWFJFHSA-N	2	2	381.524	2.252	50	70		GEIALP
O=C(NC[C@@H]1CCCN(c2cccc[nH+]2)C1)C1([NH+]2CCOCC2)CCCCC1	ZINC000218206747	136203712	/nfs/dbraw/zinc/20/37/12/136203712.db2.gz	XGUHNUDXPWUGLW-IBGZPJMESA-N	2	2	386.540	2.449	50	70		GEIALP
CN1CCC[N@H+](C)CC12CCN(C(=O)[C@H](c1cccc(F)c1)[NH+](C)C)CC2	ZINC000217198374	231030462	/nfs/dbraw/zinc/03/04/62/231030462.db2.gz	CTGJFCKAINYOEZ-IBGZPJMESA-N	2	2	376.520	2.057	50	70		GEIALP
CN1CCC[N@@H+](C)CC12CCN(C(=O)[C@H](c1cccc(F)c1)[NH+](C)C)CC2	ZINC000217198374	231030464	/nfs/dbraw/zinc/03/04/64/231030464.db2.gz	CTGJFCKAINYOEZ-IBGZPJMESA-N	2	2	376.520	2.057	50	70		GEIALP
CN1CCC[N@H+](C)C2(CCN(C(=O)[C@H](c3cccc(F)c3)[NH+](C)C)CC2)C1	ZINC000217198374	231030466	/nfs/dbraw/zinc/03/04/66/231030466.db2.gz	CTGJFCKAINYOEZ-IBGZPJMESA-N	2	2	376.520	2.057	50	70		GEIALP
CN1CCC[N@@H+](C)C2(CCN(C(=O)[C@H](c3cccc(F)c3)[NH+](C)C)CC2)C1	ZINC000217198374	231030467	/nfs/dbraw/zinc/03/04/67/231030467.db2.gz	CTGJFCKAINYOEZ-IBGZPJMESA-N	2	2	376.520	2.057	50	70		GEIALP
COC(=O)CC1CC[NH+](Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218321061	570820175	/nfs/dbraw/zinc/82/01/75/570820175.db2.gz	WLTGHGLESSXYIP-UHFFFAOYSA-N	2	2	392.496	2.497	50	70		GEIALP