smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCN(S(=O)(=O)[C@H]2CON(C)[C@@H]2/C=C/c2ccc(OC)cc2)CC1	ZINC000107831723	560897221	/nfs/dbraw/zinc/89/72/21/560897221.db2.gz	ASOJJEWXHUCXRW-YECZOLDGSA-N	1	2	407.536	1.456	10	30		HDEELO
COC1(c2nc(-c3cnccn3)no2)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000583615960	560776406	/nfs/dbraw/zinc/77/64/06/560776406.db2.gz	XOYNJWMQVXGUAP-UHFFFAOYSA-N	1	2	419.445	1.974	10	30		HDEELO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1	ZINC000328604444	569417527	/nfs/dbraw/zinc/41/75/27/569417527.db2.gz	JXIWCFJYKCCIMW-PXNSSMCTSA-N	1	2	419.489	1.171	10	30		HDEELO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1	ZINC000328604444	569417528	/nfs/dbraw/zinc/41/75/28/569417528.db2.gz	JXIWCFJYKCCIMW-PXNSSMCTSA-N	1	2	419.489	1.171	10	30		HDEELO
C=CCOC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1	ZINC000034691367	121242957	/nfs/dbraw/zinc/24/29/57/121242957.db2.gz	URFDEDURMYRKTK-FPOVZHCZSA-N	1	2	422.522	1.048	10	30		HDEELO
C=CCOC[C@@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1	ZINC000034691367	121242960	/nfs/dbraw/zinc/24/29/60/121242960.db2.gz	URFDEDURMYRKTK-FPOVZHCZSA-N	1	2	422.522	1.048	10	30		HDEELO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036156842	518311072	/nfs/dbraw/zinc/31/10/72/518311072.db2.gz	VKMDMQUHNVTFIT-CQSZACIVSA-N	1	2	405.520	1.323	10	30		HDEELO
C#CCOC[C@H](O)C[N@H+](CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036156842	518311076	/nfs/dbraw/zinc/31/10/76/518311076.db2.gz	VKMDMQUHNVTFIT-CQSZACIVSA-N	1	2	405.520	1.323	10	30		HDEELO
C=CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1	ZINC000034691368	121242990	/nfs/dbraw/zinc/24/29/90/121242990.db2.gz	URFDEDURMYRKTK-PZJWPPBQSA-N	1	2	422.522	1.048	10	30		HDEELO
C=CCOC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1	ZINC000034691368	121242994	/nfs/dbraw/zinc/24/29/94/121242994.db2.gz	URFDEDURMYRKTK-PZJWPPBQSA-N	1	2	422.522	1.048	10	30		HDEELO
C=CC[NH+]1CCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2/C=C/c2ccc(OC)cc2)CC1	ZINC000034739550	518868639	/nfs/dbraw/zinc/86/86/39/518868639.db2.gz	ASOJJEWXHUCXRW-DSJULSIBSA-N	1	2	407.536	1.456	10	30		HDEELO
C=CC[NH+]1CCN(S(=O)(=O)[C@@H]2CON(C)[C@H]2/C=C/c2ccc(OC)cc2)CC1	ZINC000034739551	518867084	/nfs/dbraw/zinc/86/70/84/518867084.db2.gz	ASOJJEWXHUCXRW-GSSTWSARSA-N	1	2	407.536	1.456	10	30		HDEELO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1	ZINC000328604445	569417536	/nfs/dbraw/zinc/41/75/36/569417536.db2.gz	JXIWCFJYKCCIMW-XLIONFOSSA-N	1	2	419.489	1.171	10	30		HDEELO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1	ZINC000328604445	569417537	/nfs/dbraw/zinc/41/75/37/569417537.db2.gz	JXIWCFJYKCCIMW-XLIONFOSSA-N	1	2	419.489	1.171	10	30		HDEELO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036156840	518301113	/nfs/dbraw/zinc/30/11/13/518301113.db2.gz	VKMDMQUHNVTFIT-AWEZNQCLSA-N	1	2	405.520	1.323	10	30		HDEELO
C#CCOC[C@@H](O)C[N@H+](CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036156840	518301119	/nfs/dbraw/zinc/30/11/19/518301119.db2.gz	VKMDMQUHNVTFIT-AWEZNQCLSA-N	1	2	405.520	1.323	10	30		HDEELO
C=CC[NH+]1CCN(S(=O)(=O)[C@H]2CON(C)[C@H]2/C=C/c2ccc(OC)cc2)CC1	ZINC000230121315	568849228	/nfs/dbraw/zinc/84/92/28/568849228.db2.gz	ASOJJEWXHUCXRW-HHNWVZKSSA-N	1	2	407.536	1.456	10	30		HDEELO