smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1[O-]	ZINC000408725846	556156160	/nfs/dbraw/zinc/15/61/60/556156160.db2.gz	IPFNJYXWMBXMGS-DEDYPNTBSA-N	-1	1	428.453	1.758	40	30		IDEBMM
C=CCN1C(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)C(=O)[N-]C1=S	ZINC000408934822	556895476	/nfs/dbraw/zinc/89/54/76/556895476.db2.gz	DEPCWMOGCGBKEF-FLIBITNWSA-N	-1	1	426.292	1.691	40	30		IDEBMM
Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)[N-]C(=O)NN3CCCCCC3)cc2)no1	ZINC000000537804	555510398	/nfs/dbraw/zinc/51/03/98/555510398.db2.gz	ZKUDBRCEOBOWLF-UHFFFAOYSA-N	-1	1	449.533	1.939	40	30	world	IDEBMM
Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)N=C([O-])NN3CCCCCC3)cc2)no1	ZINC000000537804	555510401	/nfs/dbraw/zinc/51/04/01/555510401.db2.gz	ZKUDBRCEOBOWLF-UHFFFAOYSA-N	-1	1	449.533	1.939	40	30	world	IDEBMM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)C(=O)[N-]C1=S	ZINC000408902052	556883564	/nfs/dbraw/zinc/88/35/64/556883564.db2.gz	DYYQYZDOOQWYOH-YRNVUSSQSA-N	-1	1	439.287	1.814	40	30		IDEBMM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409040662	556927587	/nfs/dbraw/zinc/92/75/87/556927587.db2.gz	HJXZPWWDLJTNOL-UHFFFAOYSA-N	-1	1	428.036	1.973	40	30		IDEBMM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409040662	556927590	/nfs/dbraw/zinc/92/75/90/556927590.db2.gz	HJXZPWWDLJTNOL-UHFFFAOYSA-N	-1	1	428.036	1.973	40	30		IDEBMM
COc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000144428150	569262597	/nfs/dbraw/zinc/26/25/97/569262597.db2.gz	AYUPPTBECADHBL-CQSZACIVSA-N	-1	1	444.510	1.046	40	30		IDEBMM
O=C([O-])CNC(=O)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F	ZINC000013099133	556459762	/nfs/dbraw/zinc/45/97/62/556459762.db2.gz	SMOIGBFAZZYOSZ-VKHMYHEASA-N	-1	1	446.144	1.860	40	30	in-vitro	IDEBMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OCC(=O)OC	ZINC000408902737	556885558	/nfs/dbraw/zinc/88/55/58/556885558.db2.gz	QSQRBTSMWSUKKL-XNTDXEJSSA-N	-1	1	430.482	1.788	40	30		IDEBMM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000409049357	556932170	/nfs/dbraw/zinc/93/21/70/556932170.db2.gz	QNAOPEDCYZMDJP-UHFFFAOYSA-N	-1	1	428.036	1.973	40	30		IDEBMM
C#CCOc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000409049357	556932173	/nfs/dbraw/zinc/93/21/73/556932173.db2.gz	QNAOPEDCYZMDJP-UHFFFAOYSA-N	-1	1	428.036	1.973	40	30		IDEBMM
C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408816456	556863571	/nfs/dbraw/zinc/86/35/71/556863571.db2.gz	UPQXFRKYDWQGPT-UHFFFAOYSA-N	-1	1	426.166	1.061	40	30		IDEBMM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000408816456	556863574	/nfs/dbraw/zinc/86/35/74/556863574.db2.gz	UPQXFRKYDWQGPT-UHFFFAOYSA-N	-1	1	426.166	1.061	40	30		IDEBMM
COC(=O)C(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)=C([O-])C=C(C)C	ZINC000102948339	557310649	/nfs/dbraw/zinc/31/06/49/557310649.db2.gz	DUCASOSLLAIMFU-ZDUSSCGKSA-N	-1	1	433.398	1.606	40	30		IDEBMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000102948339	557310651	/nfs/dbraw/zinc/31/06/51/557310651.db2.gz	DUCASOSLLAIMFU-ZDUSSCGKSA-N	-1	1	433.398	1.606	40	30		IDEBMM
Cc1cccn2c(=O)c(C=N[N-]c3ncnc(N)c3[N+](=O)[O-])c(NCc3ccco3)nc12	ZINC000025583513	557217384	/nfs/dbraw/zinc/21/73/84/557217384.db2.gz	VZPFNJIIDZJUPH-PGGKNCGUSA-N	-1	1	435.404	1.934	40	30		IDEBMM
O=C([O-])CNC(=O)[C@H]1NC(C(F)(F)F)(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F	ZINC000008034765	556149386	/nfs/dbraw/zinc/14/93/86/556149386.db2.gz	SMOIGBFAZZYOSZ-GSVOUGTGSA-N	-1	1	446.144	1.860	40	30	in-vitro	IDEBMM
CC(C)(C)OC(=O)N[C@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)ON1C(=O)CCC1=O	ZINC000103670893	557317926	/nfs/dbraw/zinc/31/79/26/557317926.db2.gz	IAMVVSHTWIUKAP-SNVBAGLBSA-N	-1	1	439.387	1.336	40	30		IDEBMM
Cc1nnc(N=NCc2cc(Br)cc(I)c2[O-])n1N	ZINC000408720800	569584984	/nfs/dbraw/zinc/58/49/84/569584984.db2.gz	ZQTCCNPREVPTQX-LNKIKWGQSA-N	-1	1	437.039	1.819	40	30		IDEBMM
C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)C(=O)[N-]C1=S	ZINC000408901653	556882905	/nfs/dbraw/zinc/88/29/05/556882905.db2.gz	GZNVWYIWAFSYQT-XYOKQWHBSA-N	-1	1	439.287	1.814	40	30		IDEBMM
COC(=O)C(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)=C([O-])C=C(C)C	ZINC000102948341	557310661	/nfs/dbraw/zinc/31/06/61/557310661.db2.gz	DUCASOSLLAIMFU-CYBMUJFWSA-N	-1	1	433.398	1.606	40	30		IDEBMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000102948341	557310665	/nfs/dbraw/zinc/31/06/65/557310665.db2.gz	DUCASOSLLAIMFU-CYBMUJFWSA-N	-1	1	433.398	1.606	40	30		IDEBMM