smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(=[NH+]/CCCCCC/[NH+]=C\c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2	ZINC000104063620	518375874	/nfs/dbraw/zinc/37/58/74/518375874.db2.gz	ZWPDHGGXVIGYSN-NQGGHMMCSA-N	2	2	380.444	4.242	40	30		GIEBLP
C#CCOc1ccccc1C[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000036740519	518332711	/nfs/dbraw/zinc/33/27/11/518332711.db2.gz	GNBGSSCHYRUSIY-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1ccccc1C[N@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000036740519	518332716	/nfs/dbraw/zinc/33/27/16/518332716.db2.gz	GNBGSSCHYRUSIY-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1cccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000013992735	518331285	/nfs/dbraw/zinc/33/12/85/518331285.db2.gz	AVRGXJPRODUSFV-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1cccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000013992735	518331290	/nfs/dbraw/zinc/33/12/90/518331290.db2.gz	AVRGXJPRODUSFV-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1ccccc1C[N@@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992738	518333124	/nfs/dbraw/zinc/33/31/24/518333124.db2.gz	OLWRMSMISLGWHA-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1ccccc1C[N@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992738	518333127	/nfs/dbraw/zinc/33/31/27/518333127.db2.gz	OLWRMSMISLGWHA-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C=CCn1ncc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000012118212	570235908	/nfs/dbraw/zinc/23/59/08/570235908.db2.gz	JPNJLMGEQCVPNX-UHFFFAOYSA-N	2	2	381.568	4.084	40	30		GIEBLP
C=CCn1ncc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000012118212	570235914	/nfs/dbraw/zinc/23/59/14/570235914.db2.gz	JPNJLMGEQCVPNX-UHFFFAOYSA-N	2	2	381.568	4.084	40	30		GIEBLP
C(=[NH+]/CCCCCC/[NH+]=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2	ZINC000018118356	518376375	/nfs/dbraw/zinc/37/63/75/518376375.db2.gz	ZWPDHGGXVIGYSN-RNIAWFEPSA-N	2	2	380.444	4.242	40	30		GIEBLP
C#CCOc1cccc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000036740518	518330464	/nfs/dbraw/zinc/33/04/64/518330464.db2.gz	UVHLQXWMNZBNBO-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1cccc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000036740518	518330470	/nfs/dbraw/zinc/33/04/70/518330470.db2.gz	UVHLQXWMNZBNBO-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
CCN(CC)c1ccc(/C=[NH+]\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000013633122	570764523	/nfs/dbraw/zinc/76/45/23/570764523.db2.gz	IEFBPLMVUXKBJU-ULJHMMPZSA-N	2	2	384.955	4.338	40	30		GIEBLP
C#CCOc1ccc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740514	518323727	/nfs/dbraw/zinc/32/37/27/518323727.db2.gz	CQTPNHVSCUZUTA-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP
C#CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740514	518323731	/nfs/dbraw/zinc/32/37/31/518323731.db2.gz	CQTPNHVSCUZUTA-UHFFFAOYSA-N	2	2	391.559	4.405	40	30		GIEBLP