smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[NH2+]CCC[NH2+]C)c1OCc1ccc(Cl)cc1Cl	ZINC000013736318	210086963	/nfs/dbraw/zinc/08/69/63/210086963.db2.gz	NRDZPEZHAXNJMY-UHFFFAOYSA-N	2	1	397.346	4.670	10	0		GJAEMP
Cc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)cc(C)c1O	ZINC000011712427	204351224	/nfs/dbraw/zinc/35/12/24/204351224.db2.gz	DVSINTNRIDUXCE-UHFFFAOYSA-N	2	1	384.539	4.535	10	0		GJAEMP
CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(C)cc1	ZINC000020874872	210365678	/nfs/dbraw/zinc/36/56/78/210365678.db2.gz	WJCLFEVQIFKGEH-UHFFFAOYSA-N	2	1	390.955	4.667	10	0		GJAEMP
CSCCC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2CCCCC2)C1	ZINC000055107789	205142997	/nfs/dbraw/zinc/14/29/97/205142997.db2.gz	QQAGCPXOVBQFCY-OAQYLSRUSA-N	2	1	375.626	4.681	10	0		GJAEMP
CSCCC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2CCCCC2)C1	ZINC000055107789	205143002	/nfs/dbraw/zinc/14/30/02/205143002.db2.gz	QQAGCPXOVBQFCY-OAQYLSRUSA-N	2	1	375.626	4.681	10	0		GJAEMP
CSCCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000055107789	205143005	/nfs/dbraw/zinc/14/30/05/205143005.db2.gz	QQAGCPXOVBQFCY-OAQYLSRUSA-N	2	1	375.626	4.681	10	0		GJAEMP
CSCCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000055107789	205143007	/nfs/dbraw/zinc/14/30/07/205143007.db2.gz	QQAGCPXOVBQFCY-OAQYLSRUSA-N	2	1	375.626	4.681	10	0		GJAEMP
C[C@H](c1cccc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C	ZINC000067714190	211018101	/nfs/dbraw/zinc/01/81/01/211018101.db2.gz	AGQSTTJXNIIDTR-MRXNPFEDSA-N	2	1	379.479	4.662	10	0		GJAEMP
C[C@H](c1cccc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C	ZINC000067714190	211018104	/nfs/dbraw/zinc/01/81/04/211018104.db2.gz	AGQSTTJXNIIDTR-MRXNPFEDSA-N	2	1	379.479	4.662	10	0		GJAEMP
C[C@@H](c1cccc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C	ZINC000067714189	211017263	/nfs/dbraw/zinc/01/72/63/211017263.db2.gz	AGQSTTJXNIIDTR-INIZCTEOSA-N	2	1	379.479	4.662	10	0		GJAEMP
C[C@@H](c1cccc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C	ZINC000067714189	211017269	/nfs/dbraw/zinc/01/72/69/211017269.db2.gz	AGQSTTJXNIIDTR-INIZCTEOSA-N	2	1	379.479	4.662	10	0		GJAEMP
CC[NH+](CC)CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1	ZINC000013734126	221286141	/nfs/dbraw/zinc/28/61/41/221286141.db2.gz	QJTPYZPVSPUSCH-UHFFFAOYSA-N	2	1	390.955	4.749	10	0		GJAEMP
C[N@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017811	/nfs/dbraw/zinc/01/78/11/222017811.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017813	/nfs/dbraw/zinc/01/78/13/222017813.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017816	/nfs/dbraw/zinc/01/78/16/222017816.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000011938368	221138735	/nfs/dbraw/zinc/13/87/35/221138735.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[N@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000011938368	221138738	/nfs/dbraw/zinc/13/87/38/221138738.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[NH+](Cc1ccc2ccccc2n1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1	ZINC000011938368	221138743	/nfs/dbraw/zinc/13/87/43/221138743.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
C[NH+](Cc1ccc2ccccc2n1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	ZINC000011938368	221138745	/nfs/dbraw/zinc/13/87/45/221138745.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	2	1	391.534	4.760	10	0		GJAEMP
CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1	ZINC000064984364	570757315	/nfs/dbraw/zinc/75/73/15/570757315.db2.gz	BQAXJABTMJMEDO-HSZRJFAPSA-N	2	1	397.563	4.959	10	0		GJAEMP
CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1	ZINC000064984364	570757320	/nfs/dbraw/zinc/75/73/20/570757320.db2.gz	BQAXJABTMJMEDO-HSZRJFAPSA-N	2	1	397.563	4.959	10	0		GJAEMP
CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1	ZINC000064984362	222092103	/nfs/dbraw/zinc/09/21/03/222092103.db2.gz	BQAXJABTMJMEDO-QHCPKHFHSA-N	2	1	397.563	4.959	10	0		GJAEMP
CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1	ZINC000064984362	222092104	/nfs/dbraw/zinc/09/21/04/222092104.db2.gz	BQAXJABTMJMEDO-QHCPKHFHSA-N	2	1	397.563	4.959	10	0		GJAEMP
COc1ccccc1/C=C/C[N@@H+](CCc1ccccc1)CC1CC[NH+](C)CC1	ZINC000015066569	207042598	/nfs/dbraw/zinc/04/25/98/207042598.db2.gz	LONLSYHWWRGIHW-XYOKQWHBSA-N	2	1	378.560	4.595	10	0		GJAEMP
CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1	ZINC000013734292	221285555	/nfs/dbraw/zinc/28/55/55/221285555.db2.gz	GLPLQDJBHLHQBR-UHFFFAOYSA-N	2	1	390.955	4.749	10	0		GJAEMP