smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000011764020	211245161	/nfs/dbraw/zinc/24/51/61/211245161.db2.gz	QGLHAQRXJYJUFI-GOSISDBHSA-N	2	0	335.536	2.996	50	30		EFEARP
C=CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c(C)n1	ZINC000055307008	214303928	/nfs/dbraw/zinc/30/39/28/214303928.db2.gz	HBDNMABKUMGMFL-UHFFFAOYSA-N	2	0	325.460	2.793	50	30		EFEARP
N#C[C@H]1CCCN(Cc2ccc(OCCCN3CCOCC3)cc2)C1	ZINC000215929704	474139655	/nfs/dbraw/zinc/13/96/55/474139655.db2.gz	RZQNFDJVGFWTMT-LJQANCHMSA-N	2	0	343.471	2.523	50	30		EFEARP
C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000011764029	211245180	/nfs/dbraw/zinc/24/51/80/211245180.db2.gz	QGLHAQRXJYJUFI-SFHVURJKSA-N	2	0	335.536	2.996	50	30		EFEARP
Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000825253379	1267045730	/nfs/dbraw/zinc/04/57/30/1267045730.db2.gz	MBKWCIHGELXMPO-UHFFFAOYSA-N	2	0	349.478	2.835	50	30		EFEARP
COC(=O)C(CC#CC[NH+]1CCCCC1)CC#CC[NH+]1CCCCC1	ZINC000005526119	471510260	/nfs/dbraw/zinc/51/02/60/471510260.db2.gz	JDUJBVOEZDUVJI-UHFFFAOYSA-N	2	0	344.499	2.534	50	30		EFEARP
N#C[C@@H]1CCCN(Cc2ccc(OCCCN3CCOCC3)cc2)C1	ZINC000215929750	474139730	/nfs/dbraw/zinc/13/97/30/474139730.db2.gz	RZQNFDJVGFWTMT-IBGZPJMESA-N	2	0	343.471	2.523	50	30		EFEARP
C=CCn1c(SC[C@@H]2CCC[C@H]([NH3+])C2)nnc1C1CC[NH2+]CC1	ZINC000426518193	477712258	/nfs/dbraw/zinc/71/22/58/477712258.db2.gz	DDFOYBMICOVNQH-HIFRSBDPSA-N	2	0	335.521	2.541	50	30		EFEARP
C[NH+]1CCN(/C=N/c2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)CC1	ZINC000004994655	471482988	/nfs/dbraw/zinc/48/29/88/471482988.db2.gz	XZYJVXLRQLSGEW-UDWIEESQSA-N	2	0	345.516	2.686	50	30		EFEARP
CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)CC1	ZINC000219537647	241395119	/nfs/dbraw/zinc/39/51/19/241395119.db2.gz	SAGLIORNDLXIID-WOJBJXKFSA-N	2	0	343.471	2.559	50	30		EFEARP
N#Cc1c(N)nc2c(c1-c1cc(C[NH+]3CCCC3)cs1)C[NH2+]CC2	ZINC000072126651	203164597	/nfs/dbraw/zinc/16/45/97/203164597.db2.gz	QFRGWTWDKWBDRO-UHFFFAOYSA-N	2	0	339.468	2.505	50	30		EFEARP
C#CCOc1c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cccc1OC	ZINC000072164827	216054324	/nfs/dbraw/zinc/05/43/24/216054324.db2.gz	HGYBCPAQMYHPJP-UHFFFAOYSA-N	2	0	328.456	2.673	50	30		EFEARP
C=C(C)COc1cccc(C[NH+]2CCC(n3cc(C[NH3+])nn3)CC2)c1	ZINC000023619222	212385910	/nfs/dbraw/zinc/38/59/10/212385910.db2.gz	JQCQZEWJJYIAAH-UHFFFAOYSA-N	2	0	341.459	2.529	50	30		EFEARP
C=CCc1cc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)ccc1OC	ZINC000067712632	215191057	/nfs/dbraw/zinc/19/10/57/215191057.db2.gz	DABVRIRVLIBPKW-UHFFFAOYSA-N	2	0	343.515	2.636	50	30		EFEARP
Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cc(C#CCO)cs2)CC1	ZINC000067879577	472103284	/nfs/dbraw/zinc/10/32/84/472103284.db2.gz	CMBQNAPQLBAKBG-UHFFFAOYSA-N	2	0	341.480	2.508	50	30		EFEARP
C[NH+](C)Cc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)c1	ZINC000071759987	472562264	/nfs/dbraw/zinc/56/22/64/472562264.db2.gz	MZSFKTMGINFNAW-MAUKXSAKSA-N	2	0	347.466	2.955	50	30		EFEARP
Cc1nn(CC[NH+]2CCC(C#N)CC2)cc1C[NH2+]Cc1ccccc1	ZINC000065409855	472937052	/nfs/dbraw/zinc/93/70/52/472937052.db2.gz	MNKLFONXJYWOOB-UHFFFAOYSA-N	2	0	337.471	2.717	50	30		EFEARP