smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(C)c(NC(=O)[O-])c2)o1	ZINC000830224836	603798118	/nfs/dbraw/zinc/79/81/18/603798118.db2.gz	ABWANNNXIQYBMY-UHFFFAOYSA-N	-2	0	317.301	2.061	20	50		DEGDRL
O=C([O-])NNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1	ZINC000834250479	605542242	/nfs/dbraw/zinc/54/22/42/605542242.db2.gz	JJQMPFXAHMITHB-MRVPVSSYSA-N	-2	0	309.219	2.301	20	50		DEGDRL
Cc1cc2cc(C(=O)[N-]NC(=O)[O-])oc2c(Br)c1	ZINC000833898909	605969418	/nfs/dbraw/zinc/96/94/18/605969418.db2.gz	WWRSRIHTEKWABU-UHFFFAOYSA-N	-2	0	313.107	2.416	20	50		DEGDRL
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1	ZINC000821544222	955516346	/nfs/dbraw/zinc/51/63/46/955516346.db2.gz	KZCVVPWECPWJBX-UHFFFAOYSA-N	-2	0	324.292	2.206	20	50		DEGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1	ZINC000740109600	955257633	/nfs/dbraw/zinc/25/76/33/955257633.db2.gz	HHCPECWVUQXECU-UHFFFAOYSA-N	-2	0	324.296	2.192	20	50		DEGDRL
O=C([O-])N[N-]C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1	ZINC000834251784	605599665	/nfs/dbraw/zinc/59/96/65/605599665.db2.gz	UDDZHSKBXKJDDZ-UHFFFAOYSA-N	-2	0	315.207	2.273	20	50		DEGDRL
O=C([O-])c1ccc(NC(=O)NN=C2CCC(C(=O)[O-])CC2)cc1	ZINC000814859334	955364034	/nfs/dbraw/zinc/36/40/34/955364034.db2.gz	ODAXBLXPTMZOIM-UHFFFAOYSA-N	-2	0	319.317	2.137	20	50		DEGDRL
CC1(C)C[C@]1(C(=O)[O-])C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC001603320950	972638238	/nfs/dbraw/zinc/63/82/38/972638238.db2.gz	NZNNBWDTDBDLFO-SNVBAGLBSA-N	-2	0	323.296	2.106	20	50		DEGDRL
CCc1cc(C(=O)[O-])ccc1NC(=O)NN=c1ncc(F)c[n-]1	ZINC001597463760	987893705	/nfs/dbraw/zinc/89/37/05/987893705.db2.gz	DQMODHAABRTLTM-UHFFFAOYSA-N	-2	0	319.296	2.025	20	50		DEGDRL
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001594601684	956137755	/nfs/dbraw/zinc/13/77/55/956137755.db2.gz	PROATPDEGGLOKM-UKTHLTGXSA-N	-2	0	314.341	2.059	20	50		DEGDRL
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(NC(=O)[O-])c(C)c2)o1	ZINC000830225278	605812352	/nfs/dbraw/zinc/81/23/52/605812352.db2.gz	JMSQVZLZRDGNBC-UHFFFAOYSA-N	-2	0	317.301	2.061	20	50		DEGDRL
Cc1cc(COc2ccc(C=NNC(=O)[O-])cc2)oc1C(=O)[O-]	ZINC000738234088	978505057	/nfs/dbraw/zinc/50/50/57/978505057.db2.gz	UKPUWOBTLFPWFC-UHFFFAOYSA-N	-2	0	318.285	2.467	20	50		DEGDRL
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000833454980	605110816	/nfs/dbraw/zinc/11/08/16/605110816.db2.gz	ZIIBQAJWBPLSNW-UHFFFAOYSA-N	-2	0	318.329	2.085	20	50		DEGDRL
O=C([O-])c1occc1C=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000739455350	978641198	/nfs/dbraw/zinc/64/11/98/978641198.db2.gz	ZBZPYOHEBMQJGV-UHFFFAOYSA-N	-2	0	308.677	2.101	20	50		DEGDRL
CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC001589476142	954960063	/nfs/dbraw/zinc/96/00/63/954960063.db2.gz	ZXMRPPDMLQIFHU-UHFFFAOYSA-N	-2	0	318.329	2.085	20	50		DEGDRL
O=C([O-])N[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1	ZINC000833280437	979138930	/nfs/dbraw/zinc/13/89/30/979138930.db2.gz	JCQVASMFKJLUGK-UHFFFAOYSA-N	-2	0	306.752	2.016	20	50		DEGDRL
O=C([O-])CCCC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC001595027725	951355064	/nfs/dbraw/zinc/35/50/64/951355064.db2.gz	HKFCOTRCNRPNNK-UHFFFAOYSA-N	-2	0	324.724	2.088	20	50		DEGDRL
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC001603320947	972638278	/nfs/dbraw/zinc/63/82/78/972638278.db2.gz	NZNNBWDTDBDLFO-JTQLQIEISA-N	-2	0	323.296	2.106	20	50		DEGDRL
O=C([O-])NN=Cc1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000738658495	978582822	/nfs/dbraw/zinc/58/28/22/978582822.db2.gz	FOQLKTDZEBJSBR-UHFFFAOYSA-N	-2	0	304.258	2.158	20	50		DEGDRL
O=C([O-])NNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1	ZINC000834250481	605542082	/nfs/dbraw/zinc/54/20/82/605542082.db2.gz	JJQMPFXAHMITHB-QMMMGPOBSA-N	-2	0	309.219	2.301	20	50		DEGDRL
O=C([O-])N[N-]C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	ZINC000834251313	605824102	/nfs/dbraw/zinc/82/41/02/605824102.db2.gz	NKXDVKRSHNAFNE-UHFFFAOYSA-N	-2	0	315.116	2.092	20	50		DEGDRL
O=C([O-])c1cccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)c1	ZINC000821549536	955519441	/nfs/dbraw/zinc/51/94/41/955519441.db2.gz	LDVOATVRUQXJGV-UHFFFAOYSA-N	-2	0	324.292	2.206	20	50		DEGDRL
C[C@@H](CC(=O)[O-])CC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC001592391786	977939182	/nfs/dbraw/zinc/93/91/82/977939182.db2.gz	PZOVUBSSENUYEA-RXMQYKEDSA-N	-2	0	311.285	2.106	20	50		DEGDRL
C[C@H](CC(=O)[O-])CC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC001592391787	977939817	/nfs/dbraw/zinc/93/98/17/977939817.db2.gz	PZOVUBSSENUYEA-YFKPBYRVSA-N	-2	0	311.285	2.106	20	50		DEGDRL
N#Cc1cccc(NNC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1	ZINC000833977001	605763478	/nfs/dbraw/zinc/76/34/78/605763478.db2.gz	UAMJQCAMXVIFPN-UHFFFAOYSA-N	-2	0	312.285	2.111	20	50		DEGDRL
CC(C)(CC(=O)[O-])CC(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000833455548	605706879	/nfs/dbraw/zinc/70/68/79/605706879.db2.gz	ILZJEQOUZHDURS-UHFFFAOYSA-N	-2	0	318.333	2.071	20	50		DEGDRL
O=C([O-])C1(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)CC=CC1	ZINC001594867780	954322482	/nfs/dbraw/zinc/32/24/82/954322482.db2.gz	RUUGNOMRALHXND-UHFFFAOYSA-N	-2	0	321.280	2.026	20	50		DEGDRL
O=C([O-])C1CCC(=NNC(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000738506647	955243673	/nfs/dbraw/zinc/24/36/73/955243673.db2.gz	FVMDMXYDNAIBPE-UHFFFAOYSA-N	-2	0	310.737	2.406	20	50		DEGDRL
Cc1ccc(C(=O)[N-]NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)o1	ZINC001607733181	970395800	/nfs/dbraw/zinc/39/58/00/970395800.db2.gz	CNZUUYGHWIWXKB-UHFFFAOYSA-N	-2	0	317.301	2.061	20	50		DEGDRL
O=C([O-])CCCCC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC001606146039	973399283	/nfs/dbraw/zinc/39/92/83/973399283.db2.gz	BUUHISFWWLGQFT-UHFFFAOYSA-N	-2	0	311.285	2.250	20	50		DEGDRL
Cc1oc(C=NNC(=O)c2ccc([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000738970239	978611595	/nfs/dbraw/zinc/61/15/95/978611595.db2.gz	SNZPZBPGLDKENR-UHFFFAOYSA-N	-2	0	322.704	2.409	20	50		DEGDRL
O=C([O-])c1cccc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)c1	ZINC000740215698	955258596	/nfs/dbraw/zinc/25/85/96/955258596.db2.gz	IGLZZGLUMHAPNA-UHFFFAOYSA-N	-2	0	324.296	2.192	20	50		DEGDRL
O=C([O-])N[N-]S(=O)(=O)c1csc2ccc(Cl)cc21	ZINC000833280376	601231730	/nfs/dbraw/zinc/23/17/30/601231730.db2.gz	HNOAOGMSQMOESH-UHFFFAOYSA-N	-2	0	306.752	2.016	20	50		DEGDRL
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001594601683	956137547	/nfs/dbraw/zinc/13/75/47/956137547.db2.gz	PROATPDEGGLOKM-LCYFTJDESA-N	-2	0	314.341	2.059	20	50		DEGDRL
CCC(=NNC(=O)C(=O)[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC001594694322	987107643	/nfs/dbraw/zinc/10/76/43/987107643.db2.gz	UWUYEFJVIDBRJQ-UHFFFAOYSA-N	-2	0	305.117	2.014	20	50		DEGDRL
O=C([O-])c1ccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)o1	ZINC000739453543	978637833	/nfs/dbraw/zinc/63/78/33/978637833.db2.gz	KNDLEXINQYVEFN-UHFFFAOYSA-N	-2	0	308.677	2.101	20	50		DEGDRL
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]NC(=O)[O-]	ZINC000833036826	601557943	/nfs/dbraw/zinc/55/79/43/601557943.db2.gz	MCPNMUGEIIRDCD-UHFFFAOYSA-N	-2	0	320.779	2.324	20	50		DEGDRL