smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)([NH3+])C(=O)N1CCOC[C@@]2(Cc3c([nH+]c(N)nc3N)O2)C1	ZINC000257318053	203043534	/nfs/dbraw/zinc/04/35/34/203043534.db2.gz	VMGIWUOTVZDZLS-CQSZACIVSA-N	2	2	322.369	-1.089	40	0		DAABLP
CC(C)([NH3+])C(=O)N1CCOC[C@@]2(Cc3c(nc(N)[nH+]c3N)O2)C1	ZINC000257318053	203043538	/nfs/dbraw/zinc/04/35/38/203043538.db2.gz	VMGIWUOTVZDZLS-CQSZACIVSA-N	2	2	322.369	-1.089	40	0		DAABLP
CN(C(=O)C[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585285986	372850230	/nfs/dbraw/zinc/85/02/30/372850230.db2.gz	GTIMNVVKOJHSRO-NFAWXSAZSA-N	2	2	315.414	-1.409	40	0		DAABLP
CN(C(=O)C[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585285986	372850236	/nfs/dbraw/zinc/85/02/36/372850236.db2.gz	GTIMNVVKOJHSRO-NFAWXSAZSA-N	2	2	315.414	-1.409	40	0		DAABLP
C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O	ZINC000585289777	372850405	/nfs/dbraw/zinc/85/04/05/372850405.db2.gz	NNALPLFNHFSLJN-ICGUKPFSSA-N	2	2	324.425	-1.066	40	0		DAABLP
C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O	ZINC000585289777	372850413	/nfs/dbraw/zinc/85/04/13/372850413.db2.gz	NNALPLFNHFSLJN-ICGUKPFSSA-N	2	2	324.425	-1.066	40	0		DAABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)COCCN(C(=O)C2C[NH2+]C2)C1	ZINC000257321428	295369760	/nfs/dbraw/zinc/36/97/60/295369760.db2.gz	WBQQKZBYDJJEDB-CQSZACIVSA-N	2	2	320.353	-1.607	40	0		DAABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCCN(C(=O)C3C[NH2+]C3)C1)O2	ZINC000257321428	295369762	/nfs/dbraw/zinc/36/97/62/295369762.db2.gz	WBQQKZBYDJJEDB-CQSZACIVSA-N	2	2	320.353	-1.607	40	0		DAABLP
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1O	ZINC000096296137	373668700	/nfs/dbraw/zinc/66/87/00/373668700.db2.gz	BAMIMZJJGNFRSB-BZPMIXESSA-N	2	2	301.387	-1.439	40	0	biogenic,in-vitro	DAABLP
Cn1ccnc1C[NH2+][C@H]1CO[C@@H](CN2CC[NH+](C)CC2)[C@@H]1O	ZINC000514289326	257215947	/nfs/dbraw/zinc/21/59/47/257215947.db2.gz	QEFCSKALTBWQKU-KCQAQPDRSA-N	2	2	309.414	-1.115	40	0	biogenic,in-vitro	DAABLP
CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1	ZINC000257334346	409399341	/nfs/dbraw/zinc/39/93/41/409399341.db2.gz	YFMUUMSZCSXXMZ-HUUCEWRRSA-N	2	2	324.425	-1.182	40	0		DAABLP
C[NH2+]CC(=O)N1CCOC[C@]2(Cc3c([nH+]c(N)nc3N)O2)C1	ZINC000257238316	277020469	/nfs/dbraw/zinc/02/04/69/277020469.db2.gz	HKKXIJHEYNYBIX-ZDUSSCGKSA-N	2	2	308.342	-1.607	40	0		DAABLP
C[NH2+]CC(=O)N1CCOC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)C1	ZINC000257238316	277020472	/nfs/dbraw/zinc/02/04/72/277020472.db2.gz	HKKXIJHEYNYBIX-ZDUSSCGKSA-N	2	2	308.342	-1.607	40	0		DAABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)COCCN(C(=O)C2C[NH2+]C2)C1	ZINC000257321427	295369987	/nfs/dbraw/zinc/36/99/87/295369987.db2.gz	WBQQKZBYDJJEDB-AWEZNQCLSA-N	2	2	320.353	-1.607	40	0		DAABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(C(=O)C3C[NH2+]C3)C1)O2	ZINC000257321427	295369989	/nfs/dbraw/zinc/36/99/89/295369989.db2.gz	WBQQKZBYDJJEDB-AWEZNQCLSA-N	2	2	320.353	-1.607	40	0		DAABLP
Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H]2O1	ZINC000225519679	373658540	/nfs/dbraw/zinc/65/85/40/373658540.db2.gz	RRWMZCIDAQCAMD-FUZZQYOASA-N	2	2	310.354	-1.329	40	0	biogenic,in-vitro	DAABLP
C[NH2+]CC(=O)N1CCOC[C@@]2(Cc3c([nH+]c(N)nc3N)O2)C1	ZINC000257238315	277020520	/nfs/dbraw/zinc/02/05/20/277020520.db2.gz	HKKXIJHEYNYBIX-CYBMUJFWSA-N	2	2	308.342	-1.607	40	0		DAABLP
C[NH2+]CC(=O)N1CCOC[C@@]2(Cc3c(nc(N)[nH+]c3N)O2)C1	ZINC000257238315	277020522	/nfs/dbraw/zinc/02/05/22/277020522.db2.gz	HKKXIJHEYNYBIX-CYBMUJFWSA-N	2	2	308.342	-1.607	40	0		DAABLP
C[N@H+](CC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O)C1CC[NH+](C)CC1	ZINC000585286514	372851115	/nfs/dbraw/zinc/85/11/15/372851115.db2.gz	ZGMNZQJXQAEGKB-BZPMIXESSA-N	2	2	301.387	-1.751	40	0		DAABLP
C[N@@H+](CC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O)C1CC[NH+](C)CC1	ZINC000585286514	372851123	/nfs/dbraw/zinc/85/11/23/372851123.db2.gz	ZGMNZQJXQAEGKB-BZPMIXESSA-N	2	2	301.387	-1.751	40	0		DAABLP
C[NH+]1CCC([NH2+][C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)CC1	ZINC000077265409	373310313	/nfs/dbraw/zinc/31/03/13/373310313.db2.gz	LLCNGROOFCEEOZ-UTUOFQBUSA-N	2	2	307.416	-1.652	40	0	biogenic,in-vitro	DAABLP
C[NH+]1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cncn3)[C@H]2O)CC1	ZINC000952844774	781533263	/nfs/dbraw/zinc/53/32/63/781533263.db2.gz	YSLFPKQSVHVMET-XGFWRYKXSA-N	2	2	309.370	-1.012	40	0	biogenic,in-vitro	DAABLP
CC(C)([NH3+])C(=O)N1CCOC[C@]2(Cc3c([nH+]c(N)nc3N)O2)C1	ZINC000257318052	203042171	/nfs/dbraw/zinc/04/21/71/203042171.db2.gz	VMGIWUOTVZDZLS-AWEZNQCLSA-N	2	2	322.369	-1.089	40	0		DAABLP
CC(C)([NH3+])C(=O)N1CCOC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)C1	ZINC000257318052	203042175	/nfs/dbraw/zinc/04/21/75/203042175.db2.gz	VMGIWUOTVZDZLS-AWEZNQCLSA-N	2	2	322.369	-1.089	40	0		DAABLP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000002561050	303219875	/nfs/dbraw/zinc/21/98/75/303219875.db2.gz	NIKBMHGRNAPJFW-IUCAKERBSA-N	2	2	311.346	-1.888	40	0	endogenous,in-man	DAABLP
Cn1cc[nH+]c1CNC(=O)[C@H]1O[C@@H](C[NH3+])[C@H](O)[C@@H](O)[C@H]1O	ZINC000585283760	372845881	/nfs/dbraw/zinc/84/58/81/372845881.db2.gz	CIXDMXCBWNKWEI-BEWSIZLOSA-N	2	2	300.315	-3.155	40	0		DAABLP