smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(=O)c(C(=O)Nc2ncccc2[O-])c([O-])c2ccccc21	ZINC000100504440	219101338	/nfs/dbraw/zinc/10/13/38/219101338.db2.gz	YYWXIGJMNGNRJW-UHFFFAOYSA-N	-2	3	337.335	2.246	50	30		EEEAHL
CO/C=C(\C)C(=O)N[C@@H]([S-])Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000038204719	202132385	/nfs/dbraw/zinc/13/23/85/202132385.db2.gz	JTLQGCYAWVABAQ-YBJDMEARSA-N	-2	3	330.793	2.330	50	30		EEEAHL
CO/C=C(\C)C(=O)N[C@H]([S-])Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000038204718	202132230	/nfs/dbraw/zinc/13/22/30/202132230.db2.gz	JTLQGCYAWVABAQ-KTRBRXNASA-N	-2	3	330.793	2.330	50	30		EEEAHL
COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc(OC)c1[O-]	ZINC000013125156	462886157	/nfs/dbraw/zinc/88/61/57/462886157.db2.gz	NCXJIWTVFHYSKF-SNAWJCMRSA-N	-2	3	332.308	2.273	50	30		EEEAHL
COc1cc(C=Nn2cn[n-]c2=S)cc(Br)c1[O-]	ZINC000004056297	210108989	/nfs/dbraw/zinc/10/89/89/210108989.db2.gz	MOXJTJWMELWCKT-YIXHJXPBSA-N	-2	3	329.179	2.300	50	30		EEEAHL
Cc1nn(C2CCCC2)cc1/C=C/C(=O)c1c([O-])[n-]c(=O)sc1=O	ZINC000071785164	463425075	/nfs/dbraw/zinc/42/50/75/463425075.db2.gz	YNNASEGQNSBZNK-VOTSOKGWSA-N	-2	3	347.396	2.018	50	30		EEEAHL
CO/C=C(/C)C(=O)N[C@H]([S-])Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000002178580	462590122	/nfs/dbraw/zinc/59/01/22/462590122.db2.gz	JTLQGCYAWVABAQ-FMFIFOJESA-N	-2	3	330.793	2.330	50	30		EEEAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1OCC#N	ZINC000004454001	462631862	/nfs/dbraw/zinc/63/18/62/462631862.db2.gz	YFJMPFMHGAZETC-UHFFFAOYSA-N	-2	3	339.355	2.243	50	30		EEEAHL
[O-]/N=C/c1ccc(OCC(O)COc2ccc(/C=N/[O-])cc2)cc1	ZINC000013115885	462885919	/nfs/dbraw/zinc/88/59/19/462885919.db2.gz	OOANQIVEPJLZLF-VNIJRHKQSA-N	-2	3	330.340	2.122	50	30		EEEAHL
Cc1csc(CCN[C@H](c2cccc(C#N)c2)P(=O)([O-])[O-])n1	ZINC000013016436	462882439	/nfs/dbraw/zinc/88/24/39/462882439.db2.gz	YQBFAEZZNTYAMU-AWEZNQCLSA-N	-2	3	337.341	2.332	50	30		EEEAHL
Cc1csc(CCN[C@@H](c2cccc(C#N)c2)P(=O)([O-])[O-])n1	ZINC000013016433	462882354	/nfs/dbraw/zinc/88/23/54/462882354.db2.gz	YQBFAEZZNTYAMU-CQSZACIVSA-N	-2	3	337.341	2.332	50	30		EEEAHL
CO/C=C(/C)C(=O)N[C@@H]([S-])Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000004289726	201596382	/nfs/dbraw/zinc/59/63/82/201596382.db2.gz	JTLQGCYAWVABAQ-FWWRYZNZSA-N	-2	3	330.793	2.330	50	30		EEEAHL
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1[O-]	ZINC000003547018	210051720	/nfs/dbraw/zinc/05/17/20/210051720.db2.gz	VHRDNAFMCHWDDT-RDFMZFSFSA-N	-2	3	336.727	2.282	50	30		EEEAHL
COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Cl)c1[O-]	ZINC000003547018	210051723	/nfs/dbraw/zinc/05/17/23/210051723.db2.gz	VHRDNAFMCHWDDT-RDFMZFSFSA-N	-2	3	336.727	2.282	50	30		EEEAHL
C/C(=N\c1cc(-c2cccc(F)c2)n[nH]1)c1c([O-])[n-]c(=O)sc1=O	ZINC000035622399	213042730	/nfs/dbraw/zinc/04/27/30/213042730.db2.gz	INPWXANNWIKPIW-REZTVBANSA-N	-2	3	346.343	2.172	50	30		EEEAHL
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)C1	ZINC000091665125	218044094	/nfs/dbraw/zinc/04/40/94/218044094.db2.gz	BOXXXZZVKMKYTC-SFHVURJKSA-N	-2	3	347.415	2.363	50	30		EEEAHL
CC(C)Oc1ccc(/C=C/C(=O)c2c([O-])[n-]c(=O)sc2=O)cc1	ZINC000390834923	467414881	/nfs/dbraw/zinc/41/48/81/467414881.db2.gz	RWAKJXURMKKAHP-VMPITWQZSA-N	-2	3	333.365	2.186	50	30		EEEAHL
COc1cc(Br)cc(C=Nn2cn[n-]c2=S)c1[O-]	ZINC000000534466	462569538	/nfs/dbraw/zinc/56/95/38/462569538.db2.gz	UWPOCJHBDJAXER-YIXHJXPBSA-N	-2	3	329.179	2.300	50	30		EEEAHL
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)C1	ZINC000091665124	218044737	/nfs/dbraw/zinc/04/47/37/218044737.db2.gz	BOXXXZZVKMKYTC-GOSISDBHSA-N	-2	3	347.415	2.363	50	30		EEEAHL
CCOC([O-])=NC(=S)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000000195626	462546447	/nfs/dbraw/zinc/54/64/47/462546447.db2.gz	SZTUOCWDJQXLRA-UHFFFAOYSA-N	-2	3	334.401	2.148	50	30		EEEAHL
O=[N+]([O-])c1cc(C=NNC([S-])=NCc2ccccc2)c([O-])cc1[O-]	ZINC000011903720	211266719	/nfs/dbraw/zinc/26/67/19/211266719.db2.gz	QWPIOIIYWCGPOY-RQZCQDPDSA-N	-3	3	346.368	2.416	50	30		EEEAHL
Cc1ccc(C(=O)[O-])cc1-n1cc([O-])c(-c2nc3ccccc3[nH]2)c1N	ZINC000008844123	462796577	/nfs/dbraw/zinc/79/65/77/462796577.db2.gz	WBVDKHMHBGUFDW-UHFFFAOYSA-N	-2	3	348.362	2.286	50	30		EEEAHL
C/C(=N\Nc1nc(=O)c(Cc2ccccc2)n[n-]1)c1ccccc1[O-]	ZINC000100851977	463375137	/nfs/dbraw/zinc/37/51/37/463375137.db2.gz	KZUHPKVLEVTLGT-UDWIEESQSA-N	-2	3	335.367	2.297	50	30		EEEAHL
Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccccc4[O-])c3=O)c2c1	ZINC000008742561	462795320	/nfs/dbraw/zinc/79/53/20/462795320.db2.gz	DCVAJICOGZOCBL-DJKKODMXSA-N	-2	3	334.335	2.480	50	30		EEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000000135467	462543766	/nfs/dbraw/zinc/54/37/66/462543766.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-2	3	344.319	2.127	50	30	biogenic	EEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000000135467	462543770	/nfs/dbraw/zinc/54/37/70/462543770.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-2	3	344.319	2.127	50	30	biogenic	EEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000000135467	462543773	/nfs/dbraw/zinc/54/37/73/462543773.db2.gz	ICTZCAHDGHPRQR-GOSISDBHSA-N	-2	3	344.319	2.127	50	30	biogenic	EEEAHL