smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(C(=O)[O-])[nH]2)c(=O)n(C)c1=O	ZINC000771893322	604983966	/nfs/dbraw/zinc/98/39/66/604983966.db2.gz	ZCQXAYXRYTVSOM-UHFFFAOYSA-N	-2	0	355.332	-1.577	20	30		FAEDRL
Cc1[nH]c(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)[O-]	ZINC000800813834	659300507	/nfs/dbraw/zinc/30/05/07/659300507.db2.gz	CDVYZQFIEARJRB-UHFFFAOYSA-N	-2	0	369.359	-1.269	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2c[nH]c(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000814883562	604984072	/nfs/dbraw/zinc/98/40/72/604984072.db2.gz	RHZOYTLMZVLIES-UHFFFAOYSA-N	-2	0	355.332	-1.577	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC(C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000821298405	598097415	/nfs/dbraw/zinc/09/74/15/598097415.db2.gz	SVPWMDLSSOBUTL-UHFFFAOYSA-N	-2	0	358.376	-1.007	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000831018446	605470747	/nfs/dbraw/zinc/47/07/47/605470747.db2.gz	HRCHFZKFFMWSSA-UHFFFAOYSA-N	-2	0	359.364	-1.508	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831018936	605470424	/nfs/dbraw/zinc/47/04/24/605470424.db2.gz	SNUJJOUKRJXGCB-MRVPVSSYSA-N	-2	0	373.391	-1.214	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O	ZINC000831018937	605470545	/nfs/dbraw/zinc/47/05/45/605470545.db2.gz	SNUJJOUKRJXGCB-QMMMGPOBSA-N	-2	0	373.391	-1.214	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=CC2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000831019059	605470308	/nfs/dbraw/zinc/47/03/08/605470308.db2.gz	VZRGOBXITJDAGM-UHFFFAOYSA-N	-2	0	373.391	-1.262	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC(NC(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000831019233	605470360	/nfs/dbraw/zinc/47/03/60/605470360.db2.gz	ZJFOVYNZDMALKE-UHFFFAOYSA-N	-2	0	373.391	-1.072	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccoc2C(=O)[O-])c(=O)n(C)c1=O	ZINC000833054049	604984715	/nfs/dbraw/zinc/98/47/15/604984715.db2.gz	KWTMTLMEXAPJFI-UHFFFAOYSA-N	-2	0	356.316	-1.312	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(C(=O)[O-])o2)c(=O)n(C)c1=O	ZINC000833054379	604984727	/nfs/dbraw/zinc/98/47/27/604984727.db2.gz	WTSJEDSBRBRDPT-UHFFFAOYSA-N	-2	0	356.316	-1.312	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC[C@H]2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833951284	605859836	/nfs/dbraw/zinc/85/98/36/605859836.db2.gz	SHTSOALMFPUORS-SSDOTTSWSA-N	-2	0	359.364	-1.462	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCC[C@@H]2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833951286	605860181	/nfs/dbraw/zinc/86/01/81/605860181.db2.gz	SHTSOALMFPUORS-ZETCQYMHSA-N	-2	0	359.364	-1.462	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000833951292	606055730	/nfs/dbraw/zinc/05/57/30/606055730.db2.gz	SJMUORXYSUVSHL-SECBINFHSA-N	-2	0	373.391	-1.262	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000833951464	606055495	/nfs/dbraw/zinc/05/54/95/606055495.db2.gz	SJMUORXYSUVSHL-VIFPVBQESA-N	-2	0	373.391	-1.262	20	30		FAEDRL
Cn1cc(S(=O)(=O)[N-]N=C2CCCN(C(=O)[O-])CC2)c(=O)n(C)c1=O	ZINC000833951741	605991979	/nfs/dbraw/zinc/99/19/79/605991979.db2.gz	YBRQEFTYGFCYEO-UHFFFAOYSA-N	-2	0	373.391	-1.118	20	30		FAEDRL
CCOC(=O)CO/N=C(\C(=O)NCCOP(=O)([O-])[O-])c1cc[nH]n1	ZINC001177264114	791010823	/nfs/dbraw/zinc/01/08/23/791010823.db2.gz	SGQINEUNWXODTR-GDNBJRDFSA-N	-2	0	364.251	-1.081	20	30		FAEDRL
[NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cn1nn[n-]c1=S	ZINC001177745673	791012952	/nfs/dbraw/zinc/01/29/52/791012952.db2.gz	CTQCBWBLTFWSLX-SSDOTTSWSA-N	-2	0	372.369	-1.496	20	30		FAEDRL
[NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cn1nn[n-]c1=S	ZINC001177745674	791012983	/nfs/dbraw/zinc/01/29/83/791012983.db2.gz	CTQCBWBLTFWSLX-ZETCQYMHSA-N	-2	0	372.369	-1.496	20	30		FAEDRL
N#CCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001193001762	792111406	/nfs/dbraw/zinc/11/14/06/792111406.db2.gz	ULTRSCWENILBBH-FMDGEEDCSA-N	-2	0	362.338	-3.944	20	30		FAEDRL
N#CCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001193001763	792111506	/nfs/dbraw/zinc/11/15/06/792111506.db2.gz	ULTRSCWENILBBH-PVFLNQBWSA-N	-2	0	362.338	-3.944	20	30		FAEDRL
N#Cc1cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1[O-]	ZINC001193499667	792145054	/nfs/dbraw/zinc/14/50/54/792145054.db2.gz	TUAXMXFUYUQTAJ-UHFFFAOYSA-N	-2	0	366.315	-1.026	20	30		FAEDRL
N#Cc1cccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1[O-]	ZINC001193635725	792154211	/nfs/dbraw/zinc/15/42/11/792154211.db2.gz	ZKYBVUPFVMSQHW-UHFFFAOYSA-N	-2	0	366.315	-1.026	20	30		FAEDRL
N#Cc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c([O-])c1	ZINC001195733131	792258873	/nfs/dbraw/zinc/25/88/73/792258873.db2.gz	AERKDBPWIUZSMD-UHFFFAOYSA-N	-2	0	366.315	-1.026	20	30		FAEDRL
CC[C@@H](O)C(=O)Oc1[n-]c([O-])nc(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473457	793917289	/nfs/dbraw/zinc/91/72/89/793917289.db2.gz	KWTZOKUZPRJFQI-GSVOUGTGSA-N	-3	0	353.247	-1.997	20	30		FAEDRL
CC[C@H](O)C(=O)Oc1[n-]c([O-])nc(=O)c1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473458	793917138	/nfs/dbraw/zinc/91/71/38/793917138.db2.gz	KWTZOKUZPRJFQI-VKHMYHEASA-N	-3	0	353.247	-1.997	20	30		FAEDRL