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)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000572111830	483305686	/nfs/dbraw/zinc/30/56/86/483305686.db2.gz	YADUGSAOATUOCD-INIZCTEOSA-N	2	3	368.526	-1.556	20	0		FAADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000572111831	483305474	/nfs/dbraw/zinc/30/54/74/483305474.db2.gz	YADUGSAOATUOCD-MRXNPFEDSA-N	2	3	368.526	-1.556	20	0		FAADHP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@H]1C[NH+](C)C	ZINC000884725493	658783028	/nfs/dbraw/zinc/78/30/28/658783028.db2.gz	LYSAZWQHJFIJEK-KFWWJZLASA-N	2	3	355.483	-1.711	20	0		FAADHP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)C[C@H]1C[NH+](C)C	ZINC000884725494	658783219	/nfs/dbraw/zinc/78/32/19/658783219.db2.gz	LYSAZWQHJFIJEK-RBSFLKMASA-N	2	3	355.483	-1.711	20	0		FAADHP
CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001157720660	792876135	/nfs/dbraw/zinc/87/61/35/792876135.db2.gz	NSEJKSZNJFEZFE-ILXRZTDVSA-N	2	3	355.483	-1.120	20	0		FAADHP
CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001157720661	792876601	/nfs/dbraw/zinc/87/66/01/792876601.db2.gz	NSEJKSZNJFEZFE-KKUMJFAQSA-N	2	3	355.483	-1.120	20	0		FAADHP
COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@@H]2C1	ZINC001159636560	792894446	/nfs/dbraw/zinc/89/44/46/792894446.db2.gz	UVOPRUNOFXPEBM-BZUAXINKSA-N	2	3	352.479	-1.009	20	0		FAADHP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@@H]2C1	ZINC001159636560	792894436	/nfs/dbraw/zinc/89/44/36/792894436.db2.gz	UVOPRUNOFXPEBM-BZUAXINKSA-N	2	3	352.479	-1.009	20	0		FAADHP
COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@@H]2C1	ZINC001159636562	792894603	/nfs/dbraw/zinc/89/46/03/792894603.db2.gz	UVOPRUNOFXPEBM-OWCLPIDISA-N	2	3	352.479	-1.009	20	0		FAADHP
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@@H]2C1	ZINC001159636562	792894599	/nfs/dbraw/zinc/89/45/99/792894599.db2.gz	UVOPRUNOFXPEBM-OWCLPIDISA-N	2	3	352.479	-1.009	20	0		FAADHP
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](N)CN1CCC([NH3+])CC1	ZINC001159930968	792895729	/nfs/dbraw/zinc/89/57/29/792895729.db2.gz	ZWEXYFARFILJIJ-IXDOHACOSA-N	2	3	352.527	-1.026	20	0		FAADHP
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN1CCC([NH3+])CC1	ZINC001159930971	792895342	/nfs/dbraw/zinc/89/53/42/792895342.db2.gz	ZWEXYFARFILJIJ-YESZJQIVSA-N	2	3	352.527	-1.026	20	0		FAADHP
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]1C2	ZINC001160797657	792907662	/nfs/dbraw/zinc/90/76/62/792907662.db2.gz	RCGNCXIAPTUOQJ-CRQFQMBKSA-N	2	3	356.492	-1.137	20	0		FAADHP
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1	ZINC001161449054	792913452	/nfs/dbraw/zinc/91/34/52/792913452.db2.gz	JKOWPAVAFRGQQA-AVGNSLFASA-N	2	3	356.471	-2.164	20	0		FAADHP
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1	ZINC001161449057	792913381	/nfs/dbraw/zinc/91/33/81/792913381.db2.gz	JKOWPAVAFRGQQA-XQQFMLRXSA-N	2	3	356.471	-2.164	20	0		FAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1	ZINC001161510788	792914302	/nfs/dbraw/zinc/91/43/02/792914302.db2.gz	RFNZZKKKEGTNIE-IHRRRGAJSA-N	2	3	353.467	-1.380	20	0		FAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001161510789	792913891	/nfs/dbraw/zinc/91/38/91/792913891.db2.gz	RFNZZKKKEGTNIE-MELADBBJSA-N	2	3	353.467	-1.380	20	0		FAADHP
Nc1ncn(C(=O)[C@@H](N)CCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl	ZINC001218777744	793188139	/nfs/dbraw/zinc/18/81/39/793188139.db2.gz	JWCUSOFKAHWHKA-DCAQKATOSA-N	2	3	371.873	-1.304	20	0		FAADHP
Nc1ncn(C(=O)[C@@H](N)CCC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl	ZINC001218777747	793187765	/nfs/dbraw/zinc/18/77/65/793187765.db2.gz	JWCUSOFKAHWHKA-GARJFASQSA-N	2	3	371.873	-1.304	20	0		FAADHP
Nc1ncn(C(=O)[C@@H](N)CCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl	ZINC001218778056	793187849	/nfs/dbraw/zinc/18/78/49/793187849.db2.gz	JWCUSOFKAHWHKA-OUAUKWLOSA-N	2	3	371.873	-1.304	20	0		FAADHP
Nc1ncn(C(=O)[C@@H](N)CCC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl	ZINC001218778057	793188041	/nfs/dbraw/zinc/18/80/41/793188041.db2.gz	JWCUSOFKAHWHKA-VWYCJHECSA-N	2	3	371.873	-1.304	20	0		FAADHP
CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001219595838	793297191	/nfs/dbraw/zinc/29/71/91/793297191.db2.gz	SEEJPWCWESCZNF-RYUDHWBXSA-N	2	3	363.484	-1.819	20	0		FAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001219856201	793621494	/nfs/dbraw/zinc/62/14/94/793621494.db2.gz	BVFFTFKLEYJGEA-CAEXGNQWSA-N	2	3	353.467	-1.463	20	0		FAADHP
NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+]	ZINC001220103310	793666845	/nfs/dbraw/zinc/66/68/45/793666845.db2.gz	NUIFOXHWQXBGEK-STQMWFEESA-N	3	3	355.487	-1.105	20	0		FAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@@H]1CC[NH2+]C1	ZINC001220937473	793800274	/nfs/dbraw/zinc/80/02/74/793800274.db2.gz	SKZXTFMQOBYCLB-ILXRZTDVSA-N	2	3	355.483	-1.072	20	0		FAADHP
N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@H]1CC[NH2+]C1	ZINC001220937474	793800542	/nfs/dbraw/zinc/80/05/42/793800542.db2.gz	SKZXTFMQOBYCLB-KKUMJFAQSA-N	2	3	355.483	-1.072	20	0		FAADHP