smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N(C)C)c(C)c[nH+]1	218524333	573122755	/nfs/dbraw/zinc/12/27/55/573122755.db2.gz	BJQQCXCIEKHODS-UHFFFAOYSA-N	1	2	151.213	1.159	10	70		ADIELO
C1=C(c2c[nH]c[nH+]2)CCOC1	218202421	583491879	/nfs/dbraw/zinc/49/18/79/583491879.db2.gz	GZLYWPQURIWMPB-UHFFFAOYSA-N	1	2	150.181	1.213	10	70		ADIELO
NC1=C[NH+]=CC[C@H]1Nc1ccccc1	216624497	169170260	/nfs/dbraw/zinc/17/02/60/169170260.db2.gz	CZXATTOZLCMZNC-LLVKDONJSA-N	1	2	187.246	1.742	10	70		ADIELO
COc1ccc[nH+]c1N[C@H]1C[C@@H]1C	160229713	344160710	/nfs/dbraw/zinc/16/07/10/344160710.db2.gz	MSFZMMQNWKXGPY-YUMQZZPRSA-N	1	2	178.235	1.911	10	70		ADIELO
CNc1cc[nH+]c(C[C@H]2CCOC2)n1	160904288	344180297	/nfs/dbraw/zinc/18/02/97/344180297.db2.gz	YZQRYHJKOVJCHW-MRVPVSSYSA-N	1	2	193.250	1.097	10	70		ADIELO
COC1CC[NH+](CC(F)F)CC1	218487132	344412945	/nfs/dbraw/zinc/41/29/45/344412945.db2.gz	FEHQHQISHIURQK-UHFFFAOYSA-N	1	2	179.210	1.362	10	70		ADIELO
C[C@H]1C[C@H](C)CC[C@H]1[NH2+]N(C)C	218396289	344412110	/nfs/dbraw/zinc/41/21/10/344412110.db2.gz	DCRMJHWTFPFDRU-KXUCPTDWSA-N	1	2	170.300	1.877	10	70		ADIELO
COc1ccc[nH+]c1NCC[C@@H](C)O	160241898	325625255	/nfs/dbraw/zinc/62/52/55/325625255.db2.gz	QRHNRMVLTIJILY-MRVPVSSYSA-N	1	2	196.250	1.273	10	70		ADIELO
COc1ccc[nH+]c1NC(C)C	159468052	344145674	/nfs/dbraw/zinc/14/56/74/344145674.db2.gz	BMHNMNFIELVGEX-UHFFFAOYSA-N	1	2	166.224	1.911	10	70		ADIELO
c1cn(Cc2cncs2)c[nH+]1	159779223	344152356	/nfs/dbraw/zinc/15/23/56/344152356.db2.gz	SEIKAPXMWUMBLR-UHFFFAOYSA-N	1	2	165.221	1.388	10	70		ADIELO
CCCNc1[nH+]cccc1OC	160188316	344159174	/nfs/dbraw/zinc/15/91/74/344159174.db2.gz	SKVKVPQLGGJNGG-UHFFFAOYSA-N	1	2	166.224	1.912	10	70		ADIELO
CCCOc1ccc[nH+]c1NC	160191632	344159459	/nfs/dbraw/zinc/15/94/59/344159459.db2.gz	GFGUBBLIVYEKBX-UHFFFAOYSA-N	1	2	166.224	1.912	10	70		ADIELO
COc1ccc[nH+]c1N[C@@H]1C[C@@H]1C	160229982	344160478	/nfs/dbraw/zinc/16/04/78/344160478.db2.gz	MSFZMMQNWKXGPY-JGVFFNPUSA-N	1	2	178.235	1.911	10	70		ADIELO
COc1ccc[nH+]c1N[C@H]1C[C@H]1C	160229603	344160511	/nfs/dbraw/zinc/16/05/11/344160511.db2.gz	MSFZMMQNWKXGPY-SFYZADRCSA-N	1	2	178.235	1.911	10	70		ADIELO
COc1ccc[nH+]c1N[C@@H]1C[C@H]1C	160229851	344160575	/nfs/dbraw/zinc/16/05/75/344160575.db2.gz	MSFZMMQNWKXGPY-HTQZYQBOSA-N	1	2	178.235	1.911	10	70		ADIELO
COc1ccc[nH+]c1Nn1cccc1	160250058	344160970	/nfs/dbraw/zinc/16/09/70/344160970.db2.gz	ZZKVCSGMJIGBPS-UHFFFAOYSA-N	1	2	189.218	1.767	10	70		ADIELO
CCOc1cccnc1-n1cc[nH+]c1	160380267	344164004	/nfs/dbraw/zinc/16/40/04/344164004.db2.gz	YTXBOXORKNYSKA-UHFFFAOYSA-N	1	2	189.218	1.666	10	70		ADIELO
COC(=[NH2+])C1(OC)CCCCC1	160769666	344177283	/nfs/dbraw/zinc/17/72/83/344177283.db2.gz	KROHZXZBYMHQQI-UHFFFAOYSA-N	1	2	171.240	1.959	10	70		ADIELO
CNc1cc[nH+]c(C[C@@H]2CCOC2)n1	160904157	344180276	/nfs/dbraw/zinc/18/02/76/344180276.db2.gz	YZQRYHJKOVJCHW-QMMMGPOBSA-N	1	2	193.250	1.097	10	70		ADIELO
Cc1ccoc1C(=[NH2+])N1CCOCC1	161324656	344189232	/nfs/dbraw/zinc/18/92/32/344189232.db2.gz	KMZUSWKNHSDYGQ-UHFFFAOYSA-N	1	2	194.234	1.246	10	70		ADIELO
CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1	216869298	344399582	/nfs/dbraw/zinc/39/95/82/344399582.db2.gz	ZCZZRLOIAIYSOR-UHFFFAOYSA-N	1	2	193.250	1.136	10	70		ADIELO
CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1	216869298	344399583	/nfs/dbraw/zinc/39/95/83/344399583.db2.gz	ZCZZRLOIAIYSOR-UHFFFAOYSA-N	1	2	193.250	1.136	10	70		ADIELO
CNC(=O)Nc1cc[nH+]cc1C	218181861	344410314	/nfs/dbraw/zinc/41/03/14/344410314.db2.gz	GXMIPRCZWUIUKC-UHFFFAOYSA-N	1	2	165.196	1.141	10	70		ADIELO
C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]N(C)C)C1	218399390	344411750	/nfs/dbraw/zinc/41/17/50/344411750.db2.gz	UHPRQUYWXHQDNL-BBBLOLIVSA-N	1	2	170.300	1.877	10	70		ADIELO
C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]N(C)C	218396431	344411760	/nfs/dbraw/zinc/41/17/60/344411760.db2.gz	DCRMJHWTFPFDRU-UTLUCORTSA-N	1	2	170.300	1.877	10	70		ADIELO
C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]N(C)C	218399534	344412018	/nfs/dbraw/zinc/41/20/18/344412018.db2.gz	UHPRQUYWXHQDNL-UTLUCORTSA-N	1	2	170.300	1.877	10	70		ADIELO
CC(C)CC[NH+]1CC(F)C1	218361980	344412050	/nfs/dbraw/zinc/41/20/50/344412050.db2.gz	OFZDXDDFCOAJLY-UHFFFAOYSA-N	1	2	145.221	1.686	10	70		ADIELO