smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cn1C	ZINC000329376779	484237487	/nfs/dbraw/zinc/23/74/87/484237487.db2.gz	OJGHMFRSKNECJX-CYBMUJFWSA-N	-1	2	372.495	-0.401	20	30		FBEDLM
Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cn1C	ZINC000329376780	484237645	/nfs/dbraw/zinc/23/76/45/484237645.db2.gz	OJGHMFRSKNECJX-ZDUSSCGKSA-N	-1	2	372.495	-0.401	20	30		FBEDLM
CC#CC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-]	ZINC000543789115	484681351	/nfs/dbraw/zinc/68/13/51/484681351.db2.gz	WHAGXJXAYSNZKU-SECBINFHSA-N	-1	2	352.328	-0.419	20	30		FBEDLM
CC#CC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-]	ZINC000543789116	484681134	/nfs/dbraw/zinc/68/11/34/484681134.db2.gz	WHAGXJXAYSNZKU-VIFPVBQESA-N	-1	2	352.328	-0.419	20	30		FBEDLM
C=C(CN=c1ccc(C(=O)OC)n[n-]1)CN=c1ccc(C(=O)OC)n[nH]1	ZINC000596554198	483752364	/nfs/dbraw/zinc/75/23/64/483752364.db2.gz	WJFKDFGGMMRCSO-UHFFFAOYSA-N	-1	2	358.358	-0.236	20	30		FBEDLM
Cc1[n-][nH]c(=NC(=O)[C@H]2C(C)[C@@H]2C(=O)N=c2[nH][nH]c(C)c2C#N)c1C#N	ZINC000598701147	483529714	/nfs/dbraw/zinc/52/97/14/483529714.db2.gz	RDBMTJVQYFUREB-RYUDHWBXSA-N	-1	2	352.358	-0.204	20	30		FBEDLM
N#Cc1c(-c2nn[nH]n2)nc(N)n1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000826382811	609176796	/nfs/dbraw/zinc/17/67/96/609176796.db2.gz	WDQRCNKHKVRRHQ-UHFFFAOYSA-N	-1	2	370.358	-0.461	20	30		FBEDLM
N#Cc1c[n-]c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c1=O	ZINC000842614600	661190393	/nfs/dbraw/zinc/19/03/93/661190393.db2.gz	KGSNFTKWPOHIJO-UHFFFAOYSA-N	-1	2	358.276	-0.031	20	30		FBEDLM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001226013009	845815039	/nfs/dbraw/zinc/81/50/39/845815039.db2.gz	IHWAQAJNZSYBES-JTQLQIEISA-N	-1	2	361.351	-0.235	20	30		FBEDLM
N#Cc1cc(F)c(=O)[n-]c1O[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001226013017	845815279	/nfs/dbraw/zinc/81/52/79/845815279.db2.gz	IHWAQAJNZSYBES-SNVBAGLBSA-N	-1	2	361.351	-0.235	20	30		FBEDLM
CC(C)(NC(=O)C(F)(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301214075	848095747	/nfs/dbraw/zinc/09/57/47/848095747.db2.gz	ZCOBEFCJFMHTOT-UHFFFAOYSA-N	-1	2	361.280	-0.606	20	30		FBEDLM