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([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000004148346	201591026	/nfs/dbraw/zinc/59/10/26/201591026.db2.gz	TXHAOOBHTJURSD-UHFFFAOYSA-N	-3	3	337.309	1.589	50	10		EDCAHL
CN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000000573025	277005415	/nfs/dbraw/zinc/00/54/15/277005415.db2.gz	BHLKKCLDFOTKSC-QPJJXVBHSA-N	-2	3	341.186	1.411	50	10		EDCAHL
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1	ZINC000095939635	441954642	/nfs/dbraw/zinc/95/46/42/441954642.db2.gz	WPORAGKPSMIWGQ-UHFFFAOYSA-N	-2	3	348.380	1.755	50	10		EDCAHL
CN(C)c1ccc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101763376	219163291	/nfs/dbraw/zinc/16/32/91/219163291.db2.gz	STEXCXYLCSPPKW-NSHDSACASA-N	-2	3	345.428	1.653	50	10		EDCAHL
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1[O-]	ZINC000009422827	211082421	/nfs/dbraw/zinc/08/24/21/211082421.db2.gz	IRIPQQUIJHENDB-FMNNIJNLSA-N	-2	3	349.412	1.402	50	10		EDCAHL
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1[O-]	ZINC000103518909	219311408	/nfs/dbraw/zinc/31/14/08/219311408.db2.gz	IRIPQQUIJHENDB-YFBAIUBQSA-N	-2	3	349.412	1.402	50	10		EDCAHL
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038167728	213203852	/nfs/dbraw/zinc/20/38/52/213203852.db2.gz	RHZIJIFPMZUQJN-CLTKARDFSA-N	-2	3	337.313	1.406	50	10		EDCAHL
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1[O-]	ZINC000103518911	219311267	/nfs/dbraw/zinc/31/12/67/219311267.db2.gz	IRIPQQUIJHENDB-OEMOTLHWSA-N	-2	3	349.412	1.402	50	10		EDCAHL
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1[O-]	ZINC000009422828	211082938	/nfs/dbraw/zinc/08/29/38/211082938.db2.gz	IRIPQQUIJHENDB-OXBCTQFSSA-N	-2	3	349.412	1.402	50	10		EDCAHL
CN1C(=O)[N-]C(=O)/C(=C\c2ccc([O-])c(Br)c2)C1=O	ZINC000002899867	276879799	/nfs/dbraw/zinc/87/97/99/276879799.db2.gz	XTZDEPZCHPWGNQ-QPJJXVBHSA-N	-2	3	325.118	1.246	50	10		EDCAHL
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc([O-])c(Br)c1	ZINC000005670456	296359533	/nfs/dbraw/zinc/35/95/33/296359533.db2.gz	CVOMNMVXGWAHAB-UHFFFAOYSA-N	-2	3	327.159	1.069	50	10		EDCAHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000330031932	258003002	/nfs/dbraw/zinc/00/30/02/258003002.db2.gz	GFUZGNOIUZYRPO-UHFFFAOYSA-N	-2	3	345.327	1.857	50	10		EDCAHL
CN(C)c1ccc([C@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101763381	204021452	/nfs/dbraw/zinc/02/14/52/204021452.db2.gz	STEXCXYLCSPPKW-LLVKDONJSA-N	-2	3	345.428	1.653	50	10		EDCAHL
Cc1cc(N2C(=O)[N-]C(=O)C(=C[O-])C2=O)ccc1Br	ZINC000101123310	219117086	/nfs/dbraw/zinc/11/70/86/219117086.db2.gz	DLGAOLANVFYWSD-YVMONPNESA-N	-2	3	325.118	1.782	50	10		EDCAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1O	ZINC000013345246	207375530	/nfs/dbraw/zinc/37/55/30/207375530.db2.gz	KVAVQUWULXTETA-UHFFFAOYSA-N	-2	3	337.309	1.620	50	10		EDCAHL