smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](C(=O)NO)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000035274041	202294572	/nfs/dbraw/zinc/29/45/72/202294572.db2.gz	BMYDQORBNYZFKN-CYBMUJFWSA-N	1	2	336.348	-1.108	1	30		EAEFLO
N[C@@H](C(=O)NO)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000035274045	213017296	/nfs/dbraw/zinc/01/72/96/213017296.db2.gz	BMYDQORBNYZFKN-ZDUSSCGKSA-N	1	2	336.348	-1.108	1	30		EAEFLO
[NH3+][C@H](C(=O)NO)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035274059	202293726	/nfs/dbraw/zinc/29/37/26/202293726.db2.gz	JXKBMXORIWWTPP-GFCCVEGCSA-N	1	2	347.375	-1.226	1	30		EAEFLO
[NH3+][C@@H](C(=O)NO)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035274064	213016459	/nfs/dbraw/zinc/01/64/59/213016459.db2.gz	JXKBMXORIWWTPP-LBPRGKRZSA-N	1	2	347.375	-1.226	1	30		EAEFLO
C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(N)=O)c2c1nc[nH+]c2N	ZINC000066252040	215027309	/nfs/dbraw/zinc/02/73/09/215027309.db2.gz	HRAYXWGUYHJDEA-MVNCPAOLSA-N	1	2	333.304	-2.273	1	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000253839252	686426496	/nfs/dbraw/zinc/42/64/96/686426496.db2.gz	HYJVJRUXRDRLNM-DLCNIUKSSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000253839252	686426493	/nfs/dbraw/zinc/42/64/93/686426493.db2.gz	HYJVJRUXRDRLNM-DLCNIUKSSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	ZINC000253839255	686426503	/nfs/dbraw/zinc/42/65/03/686426503.db2.gz	HYJVJRUXRDRLNM-FEOCSFRWSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	ZINC000253839255	686426501	/nfs/dbraw/zinc/42/65/01/686426501.db2.gz	HYJVJRUXRDRLNM-FEOCSFRWSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000253839256	686426485	/nfs/dbraw/zinc/42/64/85/686426485.db2.gz	HYJVJRUXRDRLNM-YSAQNPIBSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000253839256	686426481	/nfs/dbraw/zinc/42/64/81/686426481.db2.gz	HYJVJRUXRDRLNM-YSAQNPIBSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000253839260	686426508	/nfs/dbraw/zinc/42/65/08/686426508.db2.gz	HYJVJRUXRDRLNM-ZRDHXVKXSA-N	1	2	341.360	-1.181	3	30		EAEFLO
C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000253839260	686426506	/nfs/dbraw/zinc/42/65/06/686426506.db2.gz	HYJVJRUXRDRLNM-ZRDHXVKXSA-N	1	2	341.360	-1.181	3	30		EAEFLO