smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(C)=NNc1nc([O-])c(CC(=O)[O-])s1	ZINC000252598955	363984046	/nfs/dbraw/zinc/98/40/46/363984046.db2.gz	DFIQZUIFUUDGGC-ZCFIWIBFSA-N	-2	1	243.288	0.835	50	30		BCEAML
CCCc1cc(=O)[n-]c(NN=C(C)C(=O)[O-])n1	ZINC000006693662	387610965	/nfs/dbraw/zinc/61/09/65/387610965.db2.gz	VBFZFBYNRPBPNN-MLPAPPSSSA-N	-2	1	238.247	0.595	50	30		BCEAML
O=C([O-])c1cccc2c1N/C(=N/[O-])C2=O	ZINC000024716960	343075930	/nfs/dbraw/zinc/07/59/30/343075930.db2.gz	ZKMKIGUBXZLREG-UHFFFAOYSA-N	-2	1	206.157	0.781	50	30		BCEAML
CO[P@](=O)([O-])CN(CCC#N)CC(=O)[O-]	ZINC000071775462	384001447	/nfs/dbraw/zinc/00/14/47/384001447.db2.gz	BZJNASORTKFLFN-UHFFFAOYSA-N	-2	1	236.164	0.076	50	30		BCEAML
O=CC(=C[O-])c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000100000513	384606819	/nfs/dbraw/zinc/60/68/19/384606819.db2.gz	WHFZKCYOFGVOLR-UHFFFAOYSA-N	-2	1	237.167	0.774	50	30		BCEAML
O=CC(=C[O-])c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000100000507	384607126	/nfs/dbraw/zinc/60/71/26/384607126.db2.gz	VFPWGRRTVZRIRQ-UHFFFAOYSA-N	-2	1	237.167	0.774	50	30		BCEAML
CCCc1[n-]c(=O)c(C#N)cc1C(=O)[O-]	ZINC000015830032	538878209	/nfs/dbraw/zinc/87/82/09/538878209.db2.gz	BMOGAMINAIGDLP-UHFFFAOYSA-N	-2	1	206.201	0.897	50	30		BCEAML
O=[N+]([O-])c1ccc([O-])c(CN=Nc2nn[n-]n2)c1	ZINC000003898312	342739413	/nfs/dbraw/zinc/73/94/13/342739413.db2.gz	QWHAGNDMBYFSSR-RUDMXATFSA-N	-2	1	249.190	0.260	50	30		BCEAML
CCC(=O)C1=C([O-])CC(C(=O)[O-])CC1=O	ZINC000002382742	383961181	/nfs/dbraw/zinc/96/11/81/383961181.db2.gz	HLVQZEMFVYGIGH-UHFFFAOYSA-N	-2	1	212.201	0.841	50	30		BCEAML
O=CC(=C[O-])c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000100000510	384606655	/nfs/dbraw/zinc/60/66/55/384606655.db2.gz	GZWXVHDRRQJPHX-UHFFFAOYSA-N	-2	1	237.167	0.774	50	30		BCEAML
CCCc1cc(=O)[n-]c(NN=C(C)C(=O)[O-])n1	ZINC000034738831	343277753	/nfs/dbraw/zinc/27/77/53/343277753.db2.gz	VBFZFBYNRPBPNN-AWNIVKPZSA-N	-2	1	238.247	0.595	50	30		BCEAML
O=C([O-])CCNC(=O)c1ncccc1[O-]	ZINC000037760169	384009888	/nfs/dbraw/zinc/00/98/88/384009888.db2.gz	PFHCIEHBSHVNNL-UHFFFAOYSA-N	-2	1	210.189	0.567	50	30		BCEAML
CCOC(=O)c1cc(C#N)c([O-])[n-]c1=O	ZINC000075615365	170290476	/nfs/dbraw/zinc/29/04/76/170290476.db2.gz	WROOHCUBANRTRZ-UHFFFAOYSA-N	-2	1	208.173	0.541	50	30		BCEAML
CCOC(=O)c1cc([O-])[n-]c(=O)c1C#N	ZINC000016687763	170292898	/nfs/dbraw/zinc/29/28/98/170292898.db2.gz	IOXWLMKTCKBARB-UHFFFAOYSA-N	-2	1	208.173	0.541	50	30		BCEAML
CCC(C)=NNc1nc([O-])c(CC(=O)[O-])s1	ZINC000017242130	384484267	/nfs/dbraw/zinc/48/42/67/384484267.db2.gz	DFIQZUIFUUDGGC-XDELZERXSA-N	-2	1	243.288	0.835	50	30		BCEAML
CCC(C)=NNc1nc([O-])c(CC(=O)[O-])s1	ZINC000252598954	363983506	/nfs/dbraw/zinc/98/35/06/363983506.db2.gz	DFIQZUIFUUDGGC-LURJTMIESA-N	-2	1	243.288	0.835	50	30		BCEAML