smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N1	ZINC000001087126	219367470	/nfs/dbraw/zinc/36/74/70/219367470.db2.gz	SBMOTWWKOWYJJH-UHFFFAOYSA-N	-1	0	365.371	-0.395	50	30		FBEARM
Cn1cc(/C=N/OCC(=O)[O-])nc2c(=O)n(-c3ccccc3)c(=O)nc1-2	ZINC000002170435	210381664	/nfs/dbraw/zinc/38/16/64/210381664.db2.gz	VRFFBVOSJXVNPL-REZTVBANSA-N	-1	0	355.310	-0.134	50	30		FBEARM
CN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)N(C)C1=S	ZINC000002372163	210393384	/nfs/dbraw/zinc/39/33/84/210393384.db2.gz	GUJDBJOYFGRBHD-UHFFFAOYSA-N	-1	0	356.385	-0.084	50	30		FBEARM
CC(=O)Nc1ccc(S(=O)([O-])=NC(=O)NN2CCS(=O)CC2)cc1	ZINC000002584156	204044993	/nfs/dbraw/zinc/04/49/93/204044993.db2.gz	PFBAWUKFRFXSQF-UHFFFAOYSA-N	-1	0	374.444	-0.183	50	30		FBEARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NC(CO)(CO)CO	ZINC000002807438	525463642	/nfs/dbraw/zinc/46/36/42/525463642.db2.gz	NTBULRDOHVUCEH-OMCISZLKSA-N	-1	0	350.331	-0.483	50	30		FBEARM
CCN(CC)S(=O)(=O)c1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006470137	204249101	/nfs/dbraw/zinc/24/91/01/204249101.db2.gz	URFRYPHTOFRWHJ-UHFFFAOYSA-N	-1	0	367.387	-0.149	50	30		FBEARM
CCN(CC)S(=O)(=O)c1cccc(NN=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000008432899	483427866	/nfs/dbraw/zinc/42/78/66/483427866.db2.gz	CDXHQBBNKFGSTM-UHFFFAOYSA-N	-1	0	367.387	-0.149	50	30		FBEARM
CO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@](C#N)(C(=O)[O-])[C@H]1OC(C)=O	ZINC000008740156	485065332	/nfs/dbraw/zinc/06/53/32/485065332.db2.gz	BTVLQQFMJCOCBW-BIGJJFBESA-N	-1	0	373.314	-0.621	50	30		FBEARM
CCCn1c(NN=C2C(=O)[N-]C(=O)NC2=O)nc2c1[C@@H](O)NC(=O)N2C	ZINC000009110934	207257250	/nfs/dbraw/zinc/25/72/50/207257250.db2.gz	KCQNXGVHMQXBHR-SNVBAGLBSA-N	-1	0	364.322	-0.378	50	30		FBEARM
CCCn1c(NN=C2C(=O)[N-]C(=O)NC2=O)nc2c1[C@H](O)NC(=O)N2C	ZINC000009110935	485113480	/nfs/dbraw/zinc/11/34/80/485113480.db2.gz	KCQNXGVHMQXBHR-JTQLQIEISA-N	-1	0	364.322	-0.378	50	30		FBEARM
Cc1c(NN=C2C(=O)[N-]C(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000009165833	210820366	/nfs/dbraw/zinc/82/03/66/210820366.db2.gz	BRCQJROTFPKKLY-UHFFFAOYSA-N	-1	0	358.383	-0.217	50	30		FBEARM
CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000012285406	484296719	/nfs/dbraw/zinc/29/67/19/484296719.db2.gz	AUJFPJRBTABWKU-UHFFFAOYSA-N	-1	0	366.355	-0.296	50	30		FBEARM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012413089	207372147	/nfs/dbraw/zinc/37/21/47/207372147.db2.gz	AMRXVUBGPYENRQ-UHFFFAOYSA-N	-1	0	351.388	-0.019	50	30		FBEARM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000033330705	483773630	/nfs/dbraw/zinc/77/36/30/483773630.db2.gz	TWTWWHITPJGBDU-UHFFFAOYSA-N	-1	0	350.356	-0.220	50	30		FBEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCc2c(nc(N(C)C)[nH]c2=O)C1	ZINC000072157185	483846849	/nfs/dbraw/zinc/84/68/49/483846849.db2.gz	ZBPHNCORGUBBRS-UHFFFAOYSA-N	-1	0	354.370	-0.097	50	30		FBEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(S(=O)(=O)c3cccnc3)C[C@H]2C1=O	ZINC000072410797	210065508	/nfs/dbraw/zinc/06/55/08/210065508.db2.gz	SYMIOKFBDCWLEU-SWLSCSKDSA-N	-1	0	351.384	-0.199	50	30		FBEARM
CCN1CCN(C(=O)c2c[n-]c(=O)c(C#N)c2C)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077343713	484679079	/nfs/dbraw/zinc/67/90/79/484679079.db2.gz	GPFJBYGPQDFIBW-KGLIPLIRSA-N	-1	0	364.427	-0.089	50	30		FBEARM
N#Cc1cc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c[nH]1	ZINC000091635637	484577276	/nfs/dbraw/zinc/57/72/76/484577276.db2.gz	WCINDIFKQGBLMD-KGLIPLIRSA-N	-1	0	352.416	-0.356	50	30		FBEARM
O=C(C[C@@H]1NC(=O)NC1=O)[N-]S(=O)(=O)N1CCc2ccccc2C1	ZINC000095461512	209053494	/nfs/dbraw/zinc/05/34/94/209053494.db2.gz	WMDMWBRBOKQEBU-NSHDSACASA-N	-1	0	352.372	-0.156	50	30		FBEARM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000198723450	485232074	/nfs/dbraw/zinc/23/20/74/485232074.db2.gz	RMJGFMZWJASELM-UHFFFAOYSA-N	-1	0	361.295	-0.879	50	30		FBEARM
CS(=O)(=O)N1CCC(C(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)CC1	ZINC000225681416	484880772	/nfs/dbraw/zinc/88/07/72/484880772.db2.gz	DLENQMYKIPIPGL-UHFFFAOYSA-N	-1	0	364.427	-0.197	50	30		FBEARM
Cn1cc(C=NOCC(=O)[O-])nc2c(=O)n(-c3ccccc3)c(=O)nc1-2	ZINC000252632239	484831924	/nfs/dbraw/zinc/83/19/24/484831924.db2.gz	VRFFBVOSJXVNPL-UHFFFAOYSA-N	-1	0	355.310	-0.134	50	30		FBEARM