smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH2+]CC(C)C	ZINC000001666894	570503948	/nfs/dbraw/zinc/50/39/48/570503948.db2.gz	USRDQHSOXIBJCN-UHFFFAOYSA-N	2	2	369.896	5.386	40	0		FKABLP
CC[NH+](CC)CCCN(c1ccccc1)c1cc[nH+]c2cc(Cl)ccc21	ZINC000001706859	570504976	/nfs/dbraw/zinc/50/49/76/570504976.db2.gz	WOJXSOLBHVTVRG-UHFFFAOYSA-N	2	2	367.924	5.758	40	0		FKABLP
C[C@H](c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1)[NH+]1CCCC1	ZINC000001710683	570505195	/nfs/dbraw/zinc/50/51/95/570505195.db2.gz	JYLXDTRVBITDJY-OAHLLOKOSA-N	2	2	351.881	5.789	40	0		FKABLP
CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1OC	ZINC000001724568	204018426	/nfs/dbraw/zinc/01/84/26/204018426.db2.gz	IWVGXLGDOQCARJ-UHFFFAOYSA-N	2	2	369.896	5.482	40	0		FKABLP
COc1cc(C)[nH+]c2ccc(Cc3ccc4[nH+]c(C)cc(OC)c4c3)cc21	ZINC000013284890	570775927	/nfs/dbraw/zinc/77/59/27/570775927.db2.gz	IDOYKAABHCKXBZ-UHFFFAOYSA-N	2	2	358.441	5.008	40	0		FKABLP
C[C@@H](c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1)[NH+]1CCCC1	ZINC000031673114	220641091	/nfs/dbraw/zinc/64/10/91/220641091.db2.gz	JYLXDTRVBITDJY-HNNXBMFYSA-N	2	2	351.881	5.789	40	0		FKABLP
CCCCCC[C@@H](C[NH+](CCCC)CCCC)[NH+](CCCC)CCCC	ZINC000043752078	571226903	/nfs/dbraw/zinc/22/69/03/571226903.db2.gz	RZLYLUPSEZKQSN-DEOSSOPVSA-N	2	2	368.694	7.130	40	0		FKABLP
CCCCCC[C@H](C[NH+](CCCC)CCCC)[NH+](CCCC)CCCC	ZINC000043752080	571226969	/nfs/dbraw/zinc/22/69/69/571226969.db2.gz	RZLYLUPSEZKQSN-XMMPIXPASA-N	2	2	368.694	7.130	40	0		FKABLP
[NH3+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1	ZINC000067794689	571149811	/nfs/dbraw/zinc/14/98/11/571149811.db2.gz	RIJWHLJUZPWPKV-ZIAGYGMSSA-N	2	2	350.076	5.000	40	0		FKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC(C)C)C=C3C)[nH+]c21	ZINC000072320973	560077122	/nfs/dbraw/zinc/07/71/22/560077122.db2.gz	SEVWXXBPRGOORX-ACRUOGEOSA-N	2	2	367.581	5.514	40	0	biogenic,in-vitro	FKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC(C)C)C=C3C)[nH]c21	ZINC000072320973	560077121	/nfs/dbraw/zinc/07/71/21/560077121.db2.gz	SEVWXXBPRGOORX-ACRUOGEOSA-N	2	2	367.581	5.514	40	0	biogenic,in-vitro	FKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)[nH+]c21	ZINC000072320980	205030142	/nfs/dbraw/zinc/03/01/42/205030142.db2.gz	YKRVTFSBFKRAFD-UFYCRDLUSA-N	2	2	353.554	5.266	40	0	biogenic,in-vitro	FKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)[nH]c21	ZINC000072320980	205030137	/nfs/dbraw/zinc/03/01/37/205030137.db2.gz	YKRVTFSBFKRAFD-UFYCRDLUSA-N	2	2	353.554	5.266	40	0	biogenic,in-vitro	FKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)[nH+]c21	ZINC000077262171	208198152	/nfs/dbraw/zinc/19/81/52/208198152.db2.gz	HILXSGUSLUJUQM-ZJOUEHCJSA-N	2	2	365.565	5.411	40	0	biogenic,in-vitro	FKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)[nH]c21	ZINC000077262171	208198146	/nfs/dbraw/zinc/19/81/46/208198146.db2.gz	HILXSGUSLUJUQM-ZJOUEHCJSA-N	2	2	365.565	5.411	40	0	biogenic,in-vitro	FKABLP
C[NH2+]CCCNc1cc(C)[nH+]c2c(Oc3ccccc3)ccc(Cl)c12	ZINC000222692830	568554505	/nfs/dbraw/zinc/55/45/05/568554505.db2.gz	PXIGVCVGGXBMEO-UHFFFAOYSA-N	2	2	355.869	5.010	40	0		FKABLP