smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/N=C1/SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000001314557	462578829	/nfs/dbraw/zinc/57/88/29/462578829.db2.gz	JTCHGTAUIANYOR-QIVXWBPLSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1/S[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000001314557	462578834	/nfs/dbraw/zinc/57/88/34/462578834.db2.gz	JTCHGTAUIANYOR-QIVXWBPLSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1\SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000100294958	463373310	/nfs/dbraw/zinc/37/33/10/463373310.db2.gz	JTCHGTAUIANYOR-ICDILTBESA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1\S[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000100294958	463373315	/nfs/dbraw/zinc/37/33/15/463373315.db2.gz	JTCHGTAUIANYOR-ICDILTBESA-N	-1	2	349.412	2.053	50	30		EEEALM
O=C([O-])c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/O	ZINC000020065841	304227892	/nfs/dbraw/zinc/22/78/92/304227892.db2.gz	XZJGHMGXVLOYSQ-SQFISAMPSA-N	-1	2	329.224	2.408	50	30		EEEALM
CC(C)C[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000003086825	278996875	/nfs/dbraw/zinc/99/68/75/278996875.db2.gz	XOMHVLOQFFOXKX-RXMQYKEDSA-N	-1	2	327.196	2.435	50	30		EEEALM
CC(C)C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-]	ZINC000003086824	279184314	/nfs/dbraw/zinc/18/43/14/279184314.db2.gz	XOMHVLOQFFOXKX-YFKPBYRVSA-N	-1	2	327.196	2.435	50	30		EEEALM
O=C([O-])CN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1ccccc1	ZINC000005819255	462669780	/nfs/dbraw/zinc/66/97/80/462669780.db2.gz	ZPARPFNLINHCFO-IBOXJLQUSA-N	-1	2	337.331	2.193	50	30		EEEALM
O=C([O-])CN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000009350247	211072465	/nfs/dbraw/zinc/07/24/65/211072465.db2.gz	ZPARPFNLINHCFO-UYTDBDHRSA-N	-1	2	337.331	2.193	50	30		EEEALM
CC/N=C1/SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000001314559	462579483	/nfs/dbraw/zinc/57/94/83/462579483.db2.gz	JTCHGTAUIANYOR-ZFHSLQLHSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1/S[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000001314559	462579487	/nfs/dbraw/zinc/57/94/87/462579487.db2.gz	JTCHGTAUIANYOR-ZFHSLQLHSA-N	-1	2	349.412	2.053	50	30		EEEALM
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	ZINC000006861885	462708691	/nfs/dbraw/zinc/70/86/91/462708691.db2.gz	ULNJZDPQMMBRNH-BGPOSVGRSA-N	-1	2	330.256	2.367	50	30		EEEALM
CC/N=C1/SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1CC	ZINC000004681270	210246826	/nfs/dbraw/zinc/24/68/26/210246826.db2.gz	JBIVCGFYVVJKPP-QIVXWBPLSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1CC	ZINC000004681270	210246828	/nfs/dbraw/zinc/24/68/28/210246828.db2.gz	JBIVCGFYVVJKPP-QIVXWBPLSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1/SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1CC	ZINC000004681269	462635145	/nfs/dbraw/zinc/63/51/45/462635145.db2.gz	JBIVCGFYVVJKPP-ZFHSLQLHSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1CC	ZINC000004681269	462635149	/nfs/dbraw/zinc/63/51/49/462635149.db2.gz	JBIVCGFYVVJKPP-ZFHSLQLHSA-N	-1	2	349.412	2.053	50	30		EEEALM
CCCCOc1ccc(C=[NH+][N-]c2nc(O)c(CC(=O)[O-])s2)cc1	ZINC000005825200	462670290	/nfs/dbraw/zinc/67/02/90/462670290.db2.gz	RVOMZLJKDLSPIS-VZWMTCDZSA-N	-1	2	349.412	2.262	50	30		EEEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000000135467	462543757	/nfs/dbraw/zinc/54/37/57/462543757.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-1	2	344.319	2.127	50	30	biogenic	EEEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000000135467	462543762	/nfs/dbraw/zinc/54/37/62/462543762.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-1	2	344.319	2.127	50	30	biogenic	EEEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000000135467	462543763	/nfs/dbraw/zinc/54/37/63/462543763.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-1	2	344.319	2.127	50	30	biogenic	EEEALM
O=[N+]([O-])c1ccc(/C=N/N=C/c2cc([N+](=O)[O-])c([O-])cc2O)cc1	ZINC000004705093	210255071	/nfs/dbraw/zinc/25/50/71/210255071.db2.gz	LWGFNUOLGFNTTP-BGPOSVGRSA-N	-1	2	330.256	2.367	50	30		EEEALM
O=C([O-])c1cc(NC=C2C(=O)Oc3ccccc3C2=O)ccc1O	ZINC000101392913	219125925	/nfs/dbraw/zinc/12/59/25/219125925.db2.gz	XPWMCEMAGBMXJG-XYOKQWHBSA-N	-1	2	325.276	2.188	50	30		EEEALM
CC/N=C1\SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000100294963	520210700	/nfs/dbraw/zinc/21/07/00/520210700.db2.gz	JTCHGTAUIANYOR-WGKGOADCSA-N	-1	2	349.412	2.053	50	30		EEEALM
CC/N=C1\S[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1CC	ZINC000100294963	520210713	/nfs/dbraw/zinc/21/07/13/520210713.db2.gz	JTCHGTAUIANYOR-WGKGOADCSA-N	-1	2	349.412	2.053	50	30		EEEALM
O=C(/C=N/[O-])Nc1ccc(Cc2ccc(NC(=O)/C=N/O)cc2)cc1	ZINC000071770350	463424555	/nfs/dbraw/zinc/42/45/55/463424555.db2.gz	BDXFZMBDQSWHAI-XOBNHNQQSA-N	-1	2	340.339	2.074	50	30		EEEALM