smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(NC([S-])=C(C([O-])=C2C=CC(=NC(N)=O)C=C2)[n+]2cc([O-])cc(Cl)c2)CC1	ZINC000789421595	1077552169	/nfs/dbraw/zinc/55/21/69/1077552169.db2.gz	XREYLSOJISUNEZ-UHFFFAOYSA-O	-2	3	419.914	2.989	20	30		HFEDHL
C[C@@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000805257639	1079000696	/nfs/dbraw/zinc/00/06/96/1079000696.db2.gz	BEEQEOBTIKDQTJ-VIFPVBQESA-N	-2	3	411.842	2.641	20	30		HFEDHL
C#CCn1ccc(CN(CCOC)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])n1	ZINC000788370307	1077131137	/nfs/dbraw/zinc/13/11/37/1077131137.db2.gz	QQXDFTYJMKHNSH-UHFFFAOYSA-N	-2	3	419.481	2.807	20	30		HFEDHL
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl	ZINC000747128237	1078199881	/nfs/dbraw/zinc/19/98/81/1078199881.db2.gz	GWOXSIBMSHYIRS-UHFFFAOYSA-N	-2	3	407.879	2.675	20	30		HFEDHL
C=CCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000791056671	1077284940	/nfs/dbraw/zinc/28/49/40/1077284940.db2.gz	MZZVALHSPSTNAG-UHFFFAOYSA-N	-2	3	405.432	2.797	20	30		HFEDHL
C#C[C@@H](CCC)NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000791744416	1077534760	/nfs/dbraw/zinc/53/47/60/1077534760.db2.gz	AFMOBUHQKDVDCH-ZDUSSCGKSA-N	-2	3	417.443	2.633	20	30		HFEDHL
C=CCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000787361463	1076772678	/nfs/dbraw/zinc/77/26/78/1076772678.db2.gz	REXLBHRRHSKOPV-UHFFFAOYSA-N	-2	3	405.432	2.749	20	30		HFEDHL
C#C[C@H](CCC)NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000791744415	1077534712	/nfs/dbraw/zinc/53/47/12/1077534712.db2.gz	AFMOBUHQKDVDCH-CYBMUJFWSA-N	-2	3	417.443	2.633	20	30		HFEDHL
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1	ZINC000793357024	1078146322	/nfs/dbraw/zinc/14/63/22/1078146322.db2.gz	GSFRSLLZGNFIKV-UHFFFAOYSA-N	-2	3	407.423	2.941	20	30		HFEDHL
C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-]	ZINC000791737476	1077544561	/nfs/dbraw/zinc/54/45/61/1077544561.db2.gz	CRSYHUKCIMBKLK-AWEZNQCLSA-N	-2	3	402.472	2.733	20	30		HFEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)cc1F	ZINC000793386315	1078163036	/nfs/dbraw/zinc/16/30/36/1078163036.db2.gz	ZBFYSOSHDLJBTD-UHFFFAOYSA-N	-2	3	421.475	2.750	20	30		HFEDHL
C#CCC(CC#C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-]	ZINC000788269712	1077093999	/nfs/dbraw/zinc/09/39/99/1077093999.db2.gz	FZIIERRKMWFIJK-UHFFFAOYSA-N	-2	3	412.467	2.803	20	30		HFEDHL
C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-]	ZINC000791737477	1077544442	/nfs/dbraw/zinc/54/44/42/1077544442.db2.gz	CRSYHUKCIMBKLK-CQSZACIVSA-N	-2	3	402.472	2.733	20	30		HFEDHL
C[C@H](CC(=O)Nc1cc(Cl)c([O-])cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000805257638	1079000815	/nfs/dbraw/zinc/00/08/15/1079000815.db2.gz	BEEQEOBTIKDQTJ-SECBINFHSA-N	-2	3	411.842	2.641	20	30		HFEDHL