smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCOCCOCCOCCOCCOCCOCCOCCOCC[NH3+]	ZINC000200427014	560559750	/nfs/dbraw/zinc/55/97/50/560559750.db2.gz	QNNWDQWXZAXENQ-UHFFFAOYSA-N	2	0	412.524	-0.963	40	0		HBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257272081	568796184	/nfs/dbraw/zinc/79/61/84/568796184.db2.gz	NAZVUHWQXZJWPR-DOXZYTNZSA-N	2	0	423.514	-0.521	40	0		HBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257272082	568796172	/nfs/dbraw/zinc/79/61/72/568796172.db2.gz	NAZVUHWQXZJWPR-VCBZYWHSSA-N	2	0	423.514	-0.521	40	0		HBABRP
CN1CC[NH+](C[C@]2(O)CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)CC1	ZINC000257277376	568797845	/nfs/dbraw/zinc/79/78/45/568797845.db2.gz	NXSRXYISZWVGPE-NRFANRHFSA-N	2	0	409.575	-0.435	40	0		HBABRP
CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)CC1	ZINC000257277377	568797715	/nfs/dbraw/zinc/79/77/15/568797715.db2.gz	NXSRXYISZWVGPE-OAQYLSRUSA-N	2	0	409.575	-0.435	40	0		HBABRP
CN1CC[NH+](C[C@]2(O)CCCN(C(=O)C3CC[NH+](CCC(N)=O)CC3)CC2)CC1	ZINC000257293142	568802458	/nfs/dbraw/zinc/80/24/58/568802458.db2.gz	QOHVQYTUPNKRBN-NRFANRHFSA-N	2	0	409.575	-0.435	40	0		HBABRP
CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)C3CC[NH+](CCC(N)=O)CC3)CC2)CC1	ZINC000257293143	568802430	/nfs/dbraw/zinc/80/24/30/568802430.db2.gz	QOHVQYTUPNKRBN-OAQYLSRUSA-N	2	0	409.575	-0.435	40	0		HBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1ccc(N)nc1=O	ZINC000257303575	568805432	/nfs/dbraw/zinc/80/54/32/568805432.db2.gz	SHTKDEZLNQUVDZ-VCBZYWHSSA-N	2	0	422.530	-0.645	40	0		HBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257304334	568805837	/nfs/dbraw/zinc/80/58/37/568805837.db2.gz	SLCLFORQYQQPSY-DOXZYTNZSA-N	2	0	423.514	-0.521	40	0		HBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257304335	568805903	/nfs/dbraw/zinc/80/59/03/568805903.db2.gz	SLCLFORQYQQPSY-VCBZYWHSSA-N	2	0	423.514	-0.521	40	0		HBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1ccc(N)nc1=O	ZINC000257320132	568810443	/nfs/dbraw/zinc/81/04/43/568810443.db2.gz	VVMKDGSAXIBDKV-DOXZYTNZSA-N	2	0	422.530	-0.645	40	0		HBABRP