smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[C@@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)[NH+](C)C	ZINC000217438252	241251302	/nfs/dbraw/zinc/25/13/02/241251302.db2.gz	FJYQMQJCUQWGIO-SFHVURJKSA-N	2	1	347.503	1.760	50	70		EDIAMP
O[C@H]1CN(c2cnccn2)CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1	ZINC000217076705	241235165	/nfs/dbraw/zinc/23/51/65/241235165.db2.gz	MWHLLSCQFNGRHM-QGZVFWFLSA-N	2	1	345.491	1.272	50	70		EDIAMP
O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000218379712	241316766	/nfs/dbraw/zinc/31/67/66/241316766.db2.gz	SBLHBAXRLCSIIN-GOSISDBHSA-N	2	1	331.460	1.355	50	70		EDIAMP
O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000218379712	241316772	/nfs/dbraw/zinc/31/67/72/241316772.db2.gz	SBLHBAXRLCSIIN-GOSISDBHSA-N	2	1	331.460	1.355	50	70		EDIAMP
O=C(C[N@H+]1CCC[C@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000218379795	241316828	/nfs/dbraw/zinc/31/68/28/241316828.db2.gz	SBLHBAXRLCSIIN-SFHVURJKSA-N	2	1	331.460	1.355	50	70		EDIAMP
O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000218379795	241316833	/nfs/dbraw/zinc/31/68/33/241316833.db2.gz	SBLHBAXRLCSIIN-SFHVURJKSA-N	2	1	331.460	1.355	50	70		EDIAMP
Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](Cc3cccs3)CC2)n1	ZINC000218105668	241298153	/nfs/dbraw/zinc/29/81/53/241298153.db2.gz	UPXIAPKFZQIWFO-UHFFFAOYSA-N	2	1	344.488	1.647	50	70		EDIAMP
C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCc1ccccc1)C2	ZINC000218048542	241293881	/nfs/dbraw/zinc/29/38/81/241293881.db2.gz	FALAMRXLFDEKFT-LJQANCHMSA-N	2	1	328.460	1.927	50	70		EDIAMP
O[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000217460148	241250317	/nfs/dbraw/zinc/25/03/17/241250317.db2.gz	FWTSDROFUYBGQU-INIZCTEOSA-N	2	1	327.384	1.493	50	70		EDIAMP
C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](CCc1ccccc1)C2	ZINC000218048625	535957161	/nfs/dbraw/zinc/95/71/61/535957161.db2.gz	FALAMRXLFDEKFT-IBGZPJMESA-N	2	1	328.460	1.927	50	70		EDIAMP
CNc1cc(C)nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)n1	ZINC000217426030	241249249	/nfs/dbraw/zinc/24/92/49/241249249.db2.gz	MLWKDSVPCWSWFD-MRXNPFEDSA-N	2	1	327.432	1.510	50	70		EDIAMP
CNc1cc(C)[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)n1	ZINC000217426030	241249254	/nfs/dbraw/zinc/24/92/54/241249254.db2.gz	MLWKDSVPCWSWFD-MRXNPFEDSA-N	2	1	327.432	1.510	50	70		EDIAMP
O[C@@H]1CN(C2CC[NH2+]CC2)CC[N@@H+](Cc2cccc3ncccc23)C1	ZINC000217872976	241281733	/nfs/dbraw/zinc/28/17/33/241281733.db2.gz	OVTHREGCCXRXJB-SFHVURJKSA-N	2	1	340.471	1.465	50	70		EDIAMP