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-])CN1CCC[C@@H](C(=O)N[C@H]2CCCN([O-])C2=O)C1=O	ZINC001595082503	951697578	/nfs/dbraw/zinc/69/75/78/951697578.db2.gz	FUFFRBGRNQJMOT-IUCAKERBSA-N	-2	3	313.310	-1.194	20	30		DAEDHL
O=C([O-])CN1CCC[C@@H](C(=O)N[C@@H]2CCCN([O-])C2=O)C1=O	ZINC001595082502	951698122	/nfs/dbraw/zinc/69/81/22/951698122.db2.gz	FUFFRBGRNQJMOT-DTWKUNHWSA-N	-2	3	313.310	-1.194	20	30		DAEDHL
O=C([O-])C1(C(=O)N[C@H]2CCN([O-])C2=O)CCS(=O)(=O)CC1	ZINC001606555289	970337982	/nfs/dbraw/zinc/33/79/82/970337982.db2.gz	HYUULFMSLQRORN-ZETCQYMHSA-N	-2	3	320.323	-1.628	20	30		DAEDHL
O=C([O-])C1(C(=O)N[C@@H]2CCN([O-])C2=O)CCS(=O)(=O)CC1	ZINC001606555288	970338169	/nfs/dbraw/zinc/33/81/69/970338169.db2.gz	HYUULFMSLQRORN-SSDOTTSWSA-N	-2	3	320.323	-1.628	20	30		DAEDHL
C#Cc1cnc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)c(C#C)n1	ZINC001144892787	781402724	/nfs/dbraw/zinc/40/27/24/781402724.db2.gz	KJLYLELDEOLWMN-GMTAPVOTSA-N	-2	3	319.273	-2.978	20	30		DAEDHL
Cn1c(=O)[n-]c(N2CCC(c3nnn[n-]3)CC2)c(C#N)c1=O	ZINC001364224008	918969433	/nfs/dbraw/zinc/96/94/33/918969433.db2.gz	MVEZFEQVUMSWPM-UHFFFAOYSA-N	-2	3	302.298	-1.158	20	30		DAEDHL
Cn1c(=O)[n-]c(N2CCC(c3nn[n-]n3)CC2)c(C#N)c1=O	ZINC001364224008	918969445	/nfs/dbraw/zinc/96/94/45/918969445.db2.gz	MVEZFEQVUMSWPM-UHFFFAOYSA-N	-2	3	302.298	-1.158	20	30		DAEDHL
CN1CCO[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821628570	606641873	/nfs/dbraw/zinc/64/18/73/606641873.db2.gz	LKZWVMMGZCWXNH-ZETCQYMHSA-N	-2	3	303.286	-1.269	20	30		DAEDHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H]1CCCN([O-])C1=O	ZINC001261550125	780548363	/nfs/dbraw/zinc/54/83/63/780548363.db2.gz	OXXXAUCBILGXAW-QMMMGPOBSA-N	-2	3	306.282	-1.432	20	30		DAEDHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1CCCN([O-])C1=O	ZINC001261550124	780549182	/nfs/dbraw/zinc/54/91/82/780549182.db2.gz	OXXXAUCBILGXAW-MRVPVSSYSA-N	-2	3	306.282	-1.432	20	30		DAEDHL
O=C([O-])CN1CCC[C@H](C(=O)N[C@H]2CCCN([O-])C2=O)C1=O	ZINC001595082501	951697612	/nfs/dbraw/zinc/69/76/12/951697612.db2.gz	FUFFRBGRNQJMOT-BDAKNGLRSA-N	-2	3	313.310	-1.194	20	30		DAEDHL
O=C([O-])CN1CCC[C@H](C(=O)N[C@@H]2CCCN([O-])C2=O)C1=O	ZINC001595082504	951697841	/nfs/dbraw/zinc/69/78/41/951697841.db2.gz	FUFFRBGRNQJMOT-RKDXNWHRSA-N	-2	3	313.310	-1.194	20	30		DAEDHL
CN1CCO[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)C1	ZINC000821628569	606642019	/nfs/dbraw/zinc/64/20/19/606642019.db2.gz	LKZWVMMGZCWXNH-SSDOTTSWSA-N	-2	3	303.286	-1.269	20	30		DAEDHL
C#Cc1cnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)c(C#C)n1	ZINC001144892789	781402549	/nfs/dbraw/zinc/40/25/49/781402549.db2.gz	KJLYLELDEOLWMN-OUAUKWLOSA-N	-2	3	319.273	-2.978	20	30		DAEDHL
C#Cc1cnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)c(C#C)n1	ZINC001144892786	781402606	/nfs/dbraw/zinc/40/26/06/781402606.db2.gz	KJLYLELDEOLWMN-GARJFASQSA-N	-2	3	319.273	-2.978	20	30		DAEDHL
CN(C)CCN(CC(=O)[O-])C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001593699865	954102322	/nfs/dbraw/zinc/10/23/22/954102322.db2.gz	NNAIZZCNYKMDJK-UHFFFAOYSA-N	-2	3	323.309	-1.705	20	30		DAEDHL
C=CCNC(=O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833377068	605210855	/nfs/dbraw/zinc/21/08/55/605210855.db2.gz	ZVPDLTGZNDPJSE-UHFFFAOYSA-N	-2	3	302.312	-1.003	20	30		DAEDHL
C#Cc1cnc(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)c(C#C)n1	ZINC001144892788	781402870	/nfs/dbraw/zinc/40/28/70/781402870.db2.gz	KJLYLELDEOLWMN-HBNTYKKESA-N	-2	3	319.273	-2.978	20	30		DAEDHL
N=C(c1nonc1N)N([O-])C(=O)Cn1cc(F)c(=O)[n-]c1=O	ZINC001183655594	781729517	/nfs/dbraw/zinc/72/95/17/781729517.db2.gz	QILHIVHJHAKSNE-UHFFFAOYSA-N	-2	3	313.205	-1.703	20	30		DAEDHL