smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc[nH+]c1NC1CCCC1	159454795	538033266	/nfs/dbraw/zinc/03/32/66/538033266.db2.gz	BXEOZBYGTXEJCQ-UHFFFAOYSA-N	1	2	192.262	2.445	20	70		AEIDLO
COc1ccc[nH+]c1NCC(C)C	159449961	538034685	/nfs/dbraw/zinc/03/46/85/538034685.db2.gz	KOAFASXYSIIPNR-UHFFFAOYSA-N	1	2	180.251	2.158	20	70		AEIDLO
Cc1nc(N[C@@H](C)C2CCC2)cc[nH+]1	160065908	538038398	/nfs/dbraw/zinc/03/83/98/538038398.db2.gz	FVIJKKIAMNCPTD-QMMMGPOBSA-N	1	2	191.278	2.386	20	70		AEIDLO
CCc1cc(NC2(C)CCC2)nc[nH+]1	159971200	538038692	/nfs/dbraw/zinc/03/86/92/538038692.db2.gz	JQIGSWMJOATDSQ-UHFFFAOYSA-N	1	2	191.278	2.394	20	70		AEIDLO
Cc1cc(N[C@H](C)C2CCC2)nc[nH+]1	160064355	538041414	/nfs/dbraw/zinc/04/14/14/538041414.db2.gz	RHTULEBHHRAJOG-SECBINFHSA-N	1	2	191.278	2.386	20	70		AEIDLO
Cc1nc(N[C@H](C)C2CCC2)cc[nH+]1	160066038	538041767	/nfs/dbraw/zinc/04/17/67/538041767.db2.gz	FVIJKKIAMNCPTD-MRVPVSSYSA-N	1	2	191.278	2.386	20	70		AEIDLO
Cc1cc(N[C@@H](C)C2CCC2)nc[nH+]1	160064220	538042996	/nfs/dbraw/zinc/04/29/96/538042996.db2.gz	RHTULEBHHRAJOG-VIFPVBQESA-N	1	2	191.278	2.386	20	70		AEIDLO
CC[C@@H]1C[NH2+]c2ccc(O)cc21	218124223	344409921	/nfs/dbraw/zinc/40/99/21/344409921.db2.gz	BDFDCYRHRSZLRG-SSDOTTSWSA-N	1	2	163.220	2.311	20	70		AEIDLO
C[C@H]1CCCN(c2cccc[nH+]2)C1	217861552	344407037	/nfs/dbraw/zinc/40/70/37/344407037.db2.gz	JOMNTGWLHKQFDP-JTQLQIEISA-N	1	2	176.263	2.318	20	70		AEIDLO
C[C@@H]1CCCN(c2cccc[nH+]2)C1	217861454	344407042	/nfs/dbraw/zinc/40/70/42/344407042.db2.gz	JOMNTGWLHKQFDP-SNVBAGLBSA-N	1	2	176.263	2.318	20	70		AEIDLO
COc1ccc[nH+]c1NCC1CCC1	160201592	325625366	/nfs/dbraw/zinc/62/53/66/325625366.db2.gz	WMXYJOCSYUFFRC-UHFFFAOYSA-N	1	2	192.262	2.302	20	70		AEIDLO
COc1ccc[nH+]c1NC1CCC1	159500695	344146689	/nfs/dbraw/zinc/14/66/89/344146689.db2.gz	CVYHBCNQSMYJIG-UHFFFAOYSA-N	1	2	178.235	2.055	20	70		AEIDLO
Cc1cc(NC2(C)CCC2)nc[nH+]1	159975361	344156006	/nfs/dbraw/zinc/15/60/06/344156006.db2.gz	ZWGVCNJACSTIGA-UHFFFAOYSA-N	1	2	177.251	2.140	20	70		AEIDLO
Cc1nc(NC2(C)CCC2)cc[nH+]1	159975516	344156099	/nfs/dbraw/zinc/15/60/99/344156099.db2.gz	AQXIGALWTQWNJZ-UHFFFAOYSA-N	1	2	177.251	2.140	20	70		AEIDLO
COc1ccc[nH+]c1N[C@@H]1CC1(C)C	160223964	344159940	/nfs/dbraw/zinc/15/99/40/344159940.db2.gz	QKYRTJRURFRTKZ-SECBINFHSA-N	1	2	192.262	2.301	20	70		AEIDLO
COc1ccc[nH+]c1NCCC1CC1	160244920	344160391	/nfs/dbraw/zinc/16/03/91/344160391.db2.gz	LQYVGNLFMHTPIH-UHFFFAOYSA-N	1	2	192.262	2.302	20	70		AEIDLO
C[C@H]1CCCCN1c1cccc[nH+]1	217035441	344400466	/nfs/dbraw/zinc/40/04/66/344400466.db2.gz	ACLHMTUUTCLYMP-JTQLQIEISA-N	1	2	176.263	2.460	20	70		AEIDLO
C[C@@H]1CCCCN1c1cccc[nH+]1	217035401	344400546	/nfs/dbraw/zinc/40/05/46/344400546.db2.gz	ACLHMTUUTCLYMP-SNVBAGLBSA-N	1	2	176.263	2.460	20	70		AEIDLO
CC[C@H]1C[NH2+]c2ccc(O)cc21	218124307	344409798	/nfs/dbraw/zinc/40/97/98/344409798.db2.gz	BDFDCYRHRSZLRG-ZETCQYMHSA-N	1	2	163.220	2.311	20	70		AEIDLO
CCCCNc1[nH+]cccc1OC	160195201	351755852	/nfs/dbraw/zinc/75/58/52/351755852.db2.gz	QCVKRITVCDWUPM-UHFFFAOYSA-N	1	2	180.251	2.302	20	70		AEIDLO
COc1ccc[nH+]c1N[C@H]1CC1(C)C	160223826	351756108	/nfs/dbraw/zinc/75/61/08/351756108.db2.gz	QKYRTJRURFRTKZ-VIFPVBQESA-N	1	2	192.262	2.301	20	70		AEIDLO