smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817706	568820841	/nfs/dbraw/zinc/82/08/41/568820841.db2.gz	PGECJVZENBQDLL-HXUWFJFHSA-N	2	0	445.673	3.415	50	30		IGEARP
C(#C[Si](C#CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	ZINC000223245275	557213338	/nfs/dbraw/zinc/21/33/38/557213338.db2.gz	LSQFTVRGNZJXQS-UHFFFAOYSA-N	2	0	426.680	3.307	50	30		IGEARP
COCC[NH+]1CCC(C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]2CCCO2)CC1	ZINC000012714041	523811910	/nfs/dbraw/zinc/81/19/10/523811910.db2.gz	JPRGIWYONWKVTM-OAQYLSRUSA-N	2	0	434.646	3.210	50	30		IGEARP
O=C(C[N+]12CC[N+](CC(=O)Nc3ccc(Cl)cc3)(CC1)CC2)Nc1ccc(Cl)cc1	ZINC000002597940	569185885	/nfs/dbraw/zinc/18/58/85/569185885.db2.gz	MHPPPBXKXKTTGF-UHFFFAOYSA-P	2	0	449.382	3.231	50	30		IGEARP
COCC[NH+]1CCC(C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]2CCCO2)CC1	ZINC000012714037	523812579	/nfs/dbraw/zinc/81/25/79/523812579.db2.gz	JPRGIWYONWKVTM-NRFANRHFSA-N	2	0	434.646	3.210	50	30		IGEARP
CC[NH+](CC)CCn1c(N)[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21	ZINC000004551904	556000896	/nfs/dbraw/zinc/00/08/96/556000896.db2.gz	GMVQXAWEWMIRGG-UHFFFAOYSA-O	2	0	430.370	3.498	50	30		IGEARP
CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817705	568820822	/nfs/dbraw/zinc/82/08/22/568820822.db2.gz	PGECJVZENBQDLL-FQEVSTJZSA-N	2	0	445.673	3.415	50	30		IGEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000020538080	518689781	/nfs/dbraw/zinc/68/97/81/518689781.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	2	0	443.632	3.169	50	30		IGEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000020538083	518690538	/nfs/dbraw/zinc/69/05/38/518690538.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	2	0	443.632	3.169	50	30		IGEARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C#Cc2ccccc2)C1	ZINC000012465035	524448298	/nfs/dbraw/zinc/44/82/98/524448298.db2.gz	AURFXSCSMBPQIZ-XMMPIXPASA-N	2	0	433.596	3.349	50	30		IGEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023375173	568859681	/nfs/dbraw/zinc/85/96/81/568859681.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	2	0	443.632	3.169	50	30		IGEARP
CCN(C(=O)C[N+]12CC[N+](CC(=O)N(CC)C3CCCCC3)(CC1)CC2)C1CCCCC1	ZINC000013131678	519927415	/nfs/dbraw/zinc/92/74/15/519927415.db2.gz	TXRCCQGOKVSELW-UHFFFAOYSA-N	2	0	448.696	3.010	50	30		IGEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023375172	568859654	/nfs/dbraw/zinc/85/96/54/568859654.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	2	0	443.632	3.169	50	30		IGEARP