smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@H]1C[NH+]1CCCC1	ZINC000218758924	402296471	/nfs/dbraw/zinc/29/64/71/402296471.db2.gz	ZKNLPVPCAYRQHL-INIZCTEOSA-N	2	2	312.417	2.425	50	70		DEIALP
Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc(C(C)C)[nH+]1	ZINC000160421017	402344862	/nfs/dbraw/zinc/34/48/62/402344862.db2.gz	QQJLNCVDKQQZQW-OAHLLOKOSA-N	2	2	304.438	2.209	50	70		DEIALP
Cc1c[nH+]ccc1NCCNc1cc(C2CC(O)C2)[nH+]c(C)n1	ZINC000218258683	402295389	/nfs/dbraw/zinc/29/53/89/402295389.db2.gz	DGBSOVSPFFKXAW-UHFFFAOYSA-N	2	2	313.405	2.251	50	70		DEIALP
O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1C[NH+]1CCCC1	ZINC000218758884	280202193	/nfs/dbraw/zinc/20/21/93/280202193.db2.gz	ZKNLPVPCAYRQHL-MRXNPFEDSA-N	2	2	312.417	2.425	50	70		DEIALP
O=C(Cc1c[nH+]c[nH]1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590506	402292883	/nfs/dbraw/zinc/29/28/83/402292883.db2.gz	ONWDORNKMMTQGE-KRWDZBQOSA-N	2	2	312.417	2.296	50	70		DEIALP
O=C(Cc1c[nH]c[nH+]1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590506	402292885	/nfs/dbraw/zinc/29/28/85/402292885.db2.gz	ONWDORNKMMTQGE-KRWDZBQOSA-N	2	2	312.417	2.296	50	70		DEIALP
O=C(Cc1c[nH+]c[nH]1)NC[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590596	402292849	/nfs/dbraw/zinc/29/28/49/402292849.db2.gz	ONWDORNKMMTQGE-QGZVFWFLSA-N	2	2	312.417	2.296	50	70		DEIALP
O=C(Cc1c[nH]c[nH+]1)NC[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590596	402292850	/nfs/dbraw/zinc/29/28/50/402292850.db2.gz	ONWDORNKMMTQGE-QGZVFWFLSA-N	2	2	312.417	2.296	50	70		DEIALP
O=C(C[NH+]1CCCCCCC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1	ZINC000218024873	402294313	/nfs/dbraw/zinc/29/43/13/402294313.db2.gz	KEIDKQRZVISPSZ-KRWDZBQOSA-N	2	2	318.465	2.388	50	70		DEIALP
Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(C(C)C)[nH+]1	ZINC000160421165	402344907	/nfs/dbraw/zinc/34/49/07/402344907.db2.gz	QQJLNCVDKQQZQW-HNNXBMFYSA-N	2	2	304.438	2.209	50	70		DEIALP
Nc1nc(NCCc2ccccc2F)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218351099	402295634	/nfs/dbraw/zinc/29/56/34/402295634.db2.gz	VBMDIDQZLOEHPW-UHFFFAOYSA-N	2	2	301.369	2.057	50	70		DEIALP
O=C(C[NH+]1CCCCCCC1)N1CCC[C@H](Cn2cc[nH+]c2)C1	ZINC000218024957	402294385	/nfs/dbraw/zinc/29/43/85/402294385.db2.gz	KEIDKQRZVISPSZ-QGZVFWFLSA-N	2	2	318.465	2.388	50	70		DEIALP
CN(Cc1ccccc1F)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1	ZINC000218250715	402295662	/nfs/dbraw/zinc/29/56/62/402295662.db2.gz	QLGXNNISNCUUQK-UHFFFAOYSA-N	2	2	301.369	2.039	50	70		DEIALP