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-])C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2[O-])NC1=O	ZINC000008994901	436033785	/nfs/dbraw/zinc/03/37/85/436033785.db2.gz	OIZIVDSMFGFTIA-XEPABTDDSA-N	-2	0	338.301	0.697	50	30		ECEARL
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)C1=O	ZINC000012343717	211353343	/nfs/dbraw/zinc/35/33/43/211353343.db2.gz	HRRHSCRIUQRBNP-WQLSENKSSA-N	-2	0	330.296	0.798	50	30		ECEARL
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C1=O	ZINC000002121707	435965616	/nfs/dbraw/zinc/96/56/16/435965616.db2.gz	HRRHSCRIUQRBNP-XYOKQWHBSA-N	-2	0	330.296	0.798	50	30		ECEARL
COc1cc([N+](=O)[O-])cc(C=Nn2c(=O)c(C)n[n-]c2=S)c1[O-]	ZINC000334159318	437297357	/nfs/dbraw/zinc/29/73/57/437297357.db2.gz	GRMSUBUJRBMRLW-UHFFFAOYSA-N	-2	0	337.317	0.740	50	30		ECEARL
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[n-]c1=O	ZINC000015015668	302813666	/nfs/dbraw/zinc/81/36/66/302813666.db2.gz	RRVPSFRBWPECFX-UUILKARUSA-N	-2	0	335.236	0.854	50	30		ECEARL
N#Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)c4cnccn4)c-3c2=O)cc1	ZINC000018124993	436101767	/nfs/dbraw/zinc/10/17/67/436101767.db2.gz	BYHZHBASVVATNA-GXTWGEPZSA-N	-2	0	346.306	0.048	50	30		ECEARL
O=C1NC(=S)NC(=O)C1=N[N-]c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000003897650	435975796	/nfs/dbraw/zinc/97/57/96/435975796.db2.gz	CHSPZGXRMZCTKO-UHFFFAOYSA-N	-2	0	337.273	0.463	50	30		ECEARL
Cc1c(C#N)c(=O)n(C)c([O-])c1Cc1c(C)c(C#N)c(=O)n(C)c1[O-]	ZINC000000359808	300910983	/nfs/dbraw/zinc/91/09/83/300910983.db2.gz	MKUOXJLYZWNRPX-UHFFFAOYSA-N	-2	0	340.339	0.446	50	30		ECEARL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)s1	ZINC000253425846	436846349	/nfs/dbraw/zinc/84/63/49/436846349.db2.gz	FAUFCMSDYKZDLX-UHFFFAOYSA-N	-2	0	348.369	0.690	50	30		ECEARL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cn1	ZINC000253428442	436845608	/nfs/dbraw/zinc/84/56/08/436845608.db2.gz	QENYOLWCXQMWAK-UHFFFAOYSA-N	-2	0	343.328	0.023	50	30		ECEARL
O=C([O-])CNC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000017067154	436097675	/nfs/dbraw/zinc/09/76/75/436097675.db2.gz	RDYALKHPLYZPBL-UHFFFAOYSA-N	-2	0	328.140	0.136	50	30		ECEARL
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000002288388	435966054	/nfs/dbraw/zinc/96/60/54/435966054.db2.gz	OLTQWBVZYDRMNI-XYOKQWHBSA-N	-2	0	330.296	0.798	50	30		ECEARL
O=C([O-])CCc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000009636808	211110565	/nfs/dbraw/zinc/11/05/65/211110565.db2.gz	ODUIHRQDZAWHPI-VGOFMYFVSA-N	-2	0	332.276	0.536	50	30		ECEARL
Cc1[n-]n(CN2CCOCC2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000013408172	436063164	/nfs/dbraw/zinc/06/31/64/436063164.db2.gz	GOHYEAULZYCHOM-JXAWBTAJSA-N	-2	0	345.359	0.661	50	30		ECEARL
N#Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)c4cnccn4)c-3c2=O)cc1	ZINC000100671216	219104196	/nfs/dbraw/zinc/10/41/96/219104196.db2.gz	BYHZHBASVVATNA-OCCSQVGLSA-N	-2	0	346.306	0.048	50	30		ECEARL
Cc1ncc(COP(=O)([O-])[O-])c(/C=N/CCCC(=O)[O-])c1O	ZINC000002114966	435965330	/nfs/dbraw/zinc/96/53/30/435965330.db2.gz	SIJAQASGWDIPNC-AWNIVKPZSA-N	-3	0	332.249	0.989	50	30		ECEARL
CCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc([N+](=O)[O-])c1[O-]	ZINC000008717597	520643596	/nfs/dbraw/zinc/64/35/96/520643596.db2.gz	GYLYXNSBRBETAL-MKMNVTDBSA-N	-2	0	334.292	0.932	50	30		ECEARL
N#Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)c4cnccn4)c-3c2=O)cc1	ZINC000101363284	436548645	/nfs/dbraw/zinc/54/86/45/436548645.db2.gz	BYHZHBASVVATNA-JSGCOSHPSA-N	-2	0	346.306	0.048	50	30		ECEARL
N#Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)c4cnccn4)c-3c2=O)cc1	ZINC000016037367	436086182	/nfs/dbraw/zinc/08/61/82/436086182.db2.gz	BYHZHBASVVATNA-TZMCWYRMSA-N	-2	0	346.306	0.048	50	30		ECEARL
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccccc2OCC(=O)[O-])C1=O	ZINC000002285453	746915020	/nfs/dbraw/zinc/91/50/20/746915020.db2.gz	JOTRZFUMEOAOMU-DHZHZOJOSA-N	-2	0	330.296	0.798	50	30		ECEARL