smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825870521	607345497	/nfs/dbraw/zinc/34/54/97/607345497.db2.gz	PRRKZQUDMOXCAJ-UHFFFAOYSA-N	0	3	337.387	1.685	20	50		EDGDHN
CC(C)[NH+]1CCC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824296389	607717127	/nfs/dbraw/zinc/71/71/27/607717127.db2.gz	GZTDUMDUXJBTGE-UHFFFAOYSA-N	0	3	329.408	1.430	20	50		EDGDHN
CC(C)[NH+]1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824296389	607717130	/nfs/dbraw/zinc/71/71/30/607717130.db2.gz	GZTDUMDUXJBTGE-UHFFFAOYSA-N	0	3	329.408	1.430	20	50		EDGDHN
CC(C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N1CCCCC1	ZINC000824183977	607342569	/nfs/dbraw/zinc/34/25/69/607342569.db2.gz	AAMAQWRWWMDOAR-OAHLLOKOSA-N	0	3	343.435	1.820	20	50		EDGDHN
CC[NH+](CC)CCSCC(=O)NNc1ccc(-c2nn[n-]n2)cc1	ZINC000825417208	607351576	/nfs/dbraw/zinc/35/15/76/607351576.db2.gz	PGYMIRLVIBKFCW-UHFFFAOYSA-N	0	3	349.464	1.385	20	50		EDGDHN
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N1CCCCCC1	ZINC000824039675	607347410	/nfs/dbraw/zinc/34/74/10/607347410.db2.gz	GPYXRWCLSZVCTP-LBPRGKRZSA-N	0	3	329.408	1.574	20	50		EDGDHN
CC[NH+](CC)CCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000825412355	609157772	/nfs/dbraw/zinc/15/77/72/609157772.db2.gz	PINANLUEKNRLCS-UHFFFAOYSA-N	0	3	347.398	1.578	20	50		EDGDHN
CC[NH+](CC)CCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000825412355	609157773	/nfs/dbraw/zinc/15/77/73/609157773.db2.gz	PINANLUEKNRLCS-UHFFFAOYSA-N	0	3	347.398	1.578	20	50		EDGDHN
O=C(CCCC[NH+]1CCCC1)NNc1cccc(-c2nnn[n-]2)c1	ZINC000826406333	607729888	/nfs/dbraw/zinc/72/98/88/607729888.db2.gz	SBXHOEZQMWFGRK-UHFFFAOYSA-N	0	3	329.408	1.576	20	50		EDGDHN
O=C(CCCC[NH+]1CCCC1)NNc1cccc(-c2nn[n-]n2)c1	ZINC000826406333	607729890	/nfs/dbraw/zinc/72/98/90/607729890.db2.gz	SBXHOEZQMWFGRK-UHFFFAOYSA-N	0	3	329.408	1.576	20	50		EDGDHN
C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1	ZINC000824413021	607884216	/nfs/dbraw/zinc/88/42/16/607884216.db2.gz	IMCBVANGAIWRGV-ZDUSSCGKSA-N	0	3	341.419	1.439	20	50		EDGDHN
C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1	ZINC000824413021	607884217	/nfs/dbraw/zinc/88/42/17/607884217.db2.gz	IMCBVANGAIWRGV-ZDUSSCGKSA-N	0	3	341.419	1.439	20	50		EDGDHN
CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)N1CCCCC1	ZINC000824183976	607342474	/nfs/dbraw/zinc/34/24/74/607342474.db2.gz	AAMAQWRWWMDOAR-HNNXBMFYSA-N	0	3	343.435	1.820	20	50		EDGDHN
CC(CCCC[NH+](C)C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000824400525	609276045	/nfs/dbraw/zinc/27/60/45/609276045.db2.gz	IZWDQAPIHAOUDI-UHFFFAOYSA-N	0	3	329.408	1.704	20	50		EDGDHN
CC(CCCC[NH+](C)C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000824400525	609276046	/nfs/dbraw/zinc/27/60/46/609276046.db2.gz	IZWDQAPIHAOUDI-UHFFFAOYSA-N	0	3	329.408	1.704	20	50		EDGDHN
CC[NH+](CC)CCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F	ZINC000825411673	609276039	/nfs/dbraw/zinc/27/60/39/609276039.db2.gz	BHFBXRBDMSBHFL-UHFFFAOYSA-N	0	3	347.398	1.578	20	50		EDGDHN
CC[NH+](CC)CCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825411673	609276040	/nfs/dbraw/zinc/27/60/40/609276040.db2.gz	BHFBXRBDMSBHFL-UHFFFAOYSA-N	0	3	347.398	1.578	20	50		EDGDHN
CC[NH+](CC)CCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)s1	ZINC000825412603	608095050	/nfs/dbraw/zinc/09/50/50/608095050.db2.gz	SHBGLIYWTHXNKA-UHFFFAOYSA-N	0	3	335.437	1.500	20	50		EDGDHN
CC(CCCC[NH+](C)C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000824402007	609277760	/nfs/dbraw/zinc/27/77/60/609277760.db2.gz	SYQOBTHYIGSFRZ-UHFFFAOYSA-N	0	3	329.408	1.704	20	50		EDGDHN
CC(CCCC[NH+](C)C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000824402007	609277762	/nfs/dbraw/zinc/27/77/62/609277762.db2.gz	SYQOBTHYIGSFRZ-UHFFFAOYSA-N	0	3	329.408	1.704	20	50		EDGDHN
CC[NH+](CC)CCSCC(=O)NNc1cccc(-c2nnn[n-]2)c1	ZINC000825416682	607729250	/nfs/dbraw/zinc/72/92/50/607729250.db2.gz	LIYAFCUYWMOPFP-UHFFFAOYSA-N	0	3	349.464	1.385	20	50		EDGDHN
CC[NH+](CC)CCSCC(=O)NNc1cccc(-c2nn[n-]n2)c1	ZINC000825416682	607729252	/nfs/dbraw/zinc/72/92/52/607729252.db2.gz	LIYAFCUYWMOPFP-UHFFFAOYSA-N	0	3	349.464	1.385	20	50		EDGDHN
O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1	ZINC000826446408	607465243	/nfs/dbraw/zinc/46/52/43/607465243.db2.gz	KGUOKIFRDPWJNT-OAHLLOKOSA-N	0	3	341.419	1.717	20	50		EDGDHN
O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[N@H+]1C1CCCC1	ZINC000826446408	607465244	/nfs/dbraw/zinc/46/52/44/607465244.db2.gz	KGUOKIFRDPWJNT-OAHLLOKOSA-N	0	3	341.419	1.717	20	50		EDGDHN