smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(N2CCOCC2)cc1	ZINC000064622673	136133530	/nfs/dbraw/zinc/13/35/30/136133530.db2.gz	GPQRNZJCZKBIBV-MDNKFWRPSA-N	0	1	374.481	1.800	1	10		FDCFMN
COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccc(N2CCOCC2)cc1	ZINC000064672429	136133608	/nfs/dbraw/zinc/13/36/08/136133608.db2.gz	GPQRNZJCZKBIBV-RNQOJCNYSA-N	0	1	374.481	1.800	1	10		FDCFMN
COc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)n1	ZINC000029551419	537123476	/nfs/dbraw/zinc/12/34/76/537123476.db2.gz	JJBFLDDWHPWOKS-UHFFFAOYSA-N	0	1	355.442	1.823	1	10		FDCFMN
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	ZINC000000601286	219304660	/nfs/dbraw/zinc/30/46/60/219304660.db2.gz	KPJZHOPZRAFDTN-DOXZYTNZSA-N	0	1	353.466	1.935	1	10		FDCFMN
CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(O)c(O)c(O)c1-2	ZINC000038494624	208204027	/nfs/dbraw/zinc/20/40/27/208204027.db2.gz	DCGVFOULCIYYQP-ZDUSSCGKSA-N	0	1	356.378	1.996	1	10		FDCFMN
COc1cc(N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC	ZINC000005849830	207118891	/nfs/dbraw/zinc/11/88/91/207118891.db2.gz	LKRXQZIHVMYTOZ-LLVKDONJSA-N	0	1	373.457	1.908	1	10		FDCFMN
O=C1CSC(=S)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000045286151	208329149	/nfs/dbraw/zinc/32/91/49/208329149.db2.gz	GTKMMNYWEVTTPV-UHFFFAOYSA-N	0	1	366.449	1.642	1	10		FDCFMN
c1cc(N2CCc3c2nc(N2CCOCC2)nc3-c2cncnc2)ccn1	ZINC000095593836	132215914	/nfs/dbraw/zinc/21/59/14/132215914.db2.gz	RXWWJMGHOJYAPM-UHFFFAOYSA-N	0	1	361.409	1.859	1	10		FDCFMN
C[N+]1(Cc2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)CCOCC1	ZINC000071316764	221341151	/nfs/dbraw/zinc/34/11/51/221341151.db2.gz	KVSCPAYMEBQGPE-UHFFFAOYSA-O	0	1	354.382	1.850	1	10		FDCFMN
CN(C)C(=O)[C@H]1CCC[N@@H+](CCC(=O)c2ccc(O)c([O-])c2[N+](=O)[O-])C1	ZINC000013677669	220084562	/nfs/dbraw/zinc/08/45/62/220084562.db2.gz	FSIWJBLLJANEGQ-NSHDSACASA-N	0	1	365.386	1.379	1	10		FDCFMN
CN(C)C(=O)[C@H]1CCC[N@H+](CCC(=O)c2ccc([O-])c(O)c2[N+](=O)[O-])C1	ZINC000013677669	220084565	/nfs/dbraw/zinc/08/45/65/220084565.db2.gz	FSIWJBLLJANEGQ-NSHDSACASA-N	0	1	365.386	1.379	1	10		FDCFMN
CN(C)C(=O)[C@H]1CCC[N@@H+](CCC(=O)c2ccc([O-])c(O)c2[N+](=O)[O-])C1	ZINC000013677669	220084567	/nfs/dbraw/zinc/08/45/67/220084567.db2.gz	FSIWJBLLJANEGQ-NSHDSACASA-N	0	1	365.386	1.379	1	10		FDCFMN
Cc1cccc(Cl)c1NC(=S)NNC=C1C(=O)NC(=O)NC1=O	ZINC000096930162	222142382	/nfs/dbraw/zinc/14/23/82/222142382.db2.gz	JDXMZCIREIBEQO-UHFFFAOYSA-N	0	1	353.791	1.530	1	10		FDCFMN