smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH2+][C@H]1CCC[NH2+]C1	43323629	166026071	/nfs/dbraw/zinc/02/60/71/166026071.db2.gz	GNEJVOGEYBGJTE-QMMMGPOBSA-N	2	2	138.214	-0.039	40	30		ABEBLP
C#CC[NH2+][C@@H]1CCC[NH2+]C1	43323627	166027369	/nfs/dbraw/zinc/02/73/69/166027369.db2.gz	GNEJVOGEYBGJTE-MRVPVSSYSA-N	2	2	138.214	-0.039	40	30		ABEBLP
C=CC[N@@H+]1CCO[C@@H](C[NH3+])C1	11885740	166180238	/nfs/dbraw/zinc/18/02/38/166180238.db2.gz	GXWHECHKQXAKIR-QMMMGPOBSA-N	2	2	156.229	-0.168	40	30		ABEBLP
C=CC[N@H+]1CCO[C@@H](C[NH3+])C1	11885740	166180241	/nfs/dbraw/zinc/18/02/41/166180241.db2.gz	GXWHECHKQXAKIR-QMMMGPOBSA-N	2	2	156.229	-0.168	40	30		ABEBLP
C=CC[N@@H+]1CCO[C@H](C[NH3+])C1	11885735	166181019	/nfs/dbraw/zinc/18/10/19/166181019.db2.gz	GXWHECHKQXAKIR-MRVPVSSYSA-N	2	2	156.229	-0.168	40	30		ABEBLP
C=CC[N@H+]1CCO[C@H](C[NH3+])C1	11885735	166181021	/nfs/dbraw/zinc/18/10/21/166181021.db2.gz	GXWHECHKQXAKIR-MRVPVSSYSA-N	2	2	156.229	-0.168	40	30		ABEBLP
NC(=[NH2+])Nc1ccc(NC(N)=[NH2+])cc1	15924489	169168026	/nfs/dbraw/zinc/16/80/26/169168026.db2.gz	ZPIAUDCRBBFYAR-UHFFFAOYSA-N	2	2	192.226	-0.504	40	30		ABEBLP
[NH3+][C@@H](C=O)Cc1c[nH+]c[nH]1	3869972	169243433	/nfs/dbraw/zinc/24/34/33/169243433.db2.gz	VYOIELONWKIZJS-RXMQYKEDSA-N	2	2	139.158	-0.522	40	30	endogenous,in-man	ABEBLP
[NH3+][C@H](C=O)Cc1c[nH+]c[nH]1	2043392	169263851	/nfs/dbraw/zinc/26/38/51/169263851.db2.gz	VYOIELONWKIZJS-YFKPBYRVSA-N	2	2	139.158	-0.522	40	30	endogenous,in-man	ABEBLP
N#CC(C[NH3+])C[NH3+]	85400386	171132633	/nfs/dbraw/zinc/13/26/33/171132633.db2.gz	HPTHDSHGVNERQV-UHFFFAOYSA-N	2	2	99.137	-0.956	40	30		ABEBLP