smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Nc2nc3c(c(=O)[n-]2)C([O-])=C(C#N)[C@@H](c2ccc(Cl)cc2)N3)cc1	ZINC000102330952	559149923	/nfs/dbraw/zinc/14/99/23/559149923.db2.gz	FSKXIBGIJJMARP-DOTOQJQBSA-N	-2	3	421.844	3.665	40	30		HHEBHL
C#CCOc1c(Cl)cc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc1OC	ZINC000213385415	569363338	/nfs/dbraw/zinc/36/33/38/569363338.db2.gz	ODLJVGLZLSLOHQ-UVTDQMKNSA-N	-2	3	407.879	3.649	40	30		HHEBHL
COc1cc(Br)c(Br)c(/C=N/c2ncccc2[O-])c1[O-]	ZINC000005335018	557645374	/nfs/dbraw/zinc/64/53/74/557645374.db2.gz	FBJKTVLTPMWMCQ-UBKPWBPPSA-N	-2	3	402.042	3.777	40	30		HHEBHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2[O-])cc1	ZINC000254488228	568756601	/nfs/dbraw/zinc/75/66/01/568756601.db2.gz	JVKLYNSQJNELIP-UHFFFAOYSA-N	-2	3	405.277	3.967	40	30		HHEBHL
CCc1nnc(C2=C([O-])C(=Cc3ccc([O-])c(Br)c3)SC2=N)s1	ZINC000137510381	559292562	/nfs/dbraw/zinc/29/25/62/559292562.db2.gz	FCLZYEUVONKOLF-FMCCDNIHSA-N	-2	3	410.318	3.986	40	30		HHEBHL
COc1ccc(Nc2nc3c(c(=O)[n-]2)C([O-])=C(C#N)[C@H](c2ccc(Cl)cc2)N3)cc1	ZINC000102330958	559149882	/nfs/dbraw/zinc/14/98/82/559149882.db2.gz	FSKXIBGIJJMARP-RDJZCZTQSA-N	-2	3	421.844	3.665	40	30		HHEBHL
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O	ZINC000409064999	560672201	/nfs/dbraw/zinc/67/22/01/560672201.db2.gz	JYGFNYSAEGVQKJ-UHFFFAOYSA-N	-2	3	415.873	3.934	40	30		HHEBHL
COc1ccc(Nc2nc3c(c(=O)[n-]2)C([O-])=C(C#N)[C@H](c2ccc(Cl)cc2)N3)cc1	ZINC000102330966	559149896	/nfs/dbraw/zinc/14/98/96/559149896.db2.gz	FSKXIBGIJJMARP-WBVHZDCISA-N	-2	3	421.844	3.665	40	30		HHEBHL
COc1ccc(Nc2nc3c(c(=O)[n-]2)C([O-])=C(C#N)[C@@H](c2ccc(Cl)cc2)N3)cc1	ZINC000102330961	559149857	/nfs/dbraw/zinc/14/98/57/559149857.db2.gz	FSKXIBGIJJMARP-NVXWUHKLSA-N	-2	3	421.844	3.665	40	30		HHEBHL
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O	ZINC000409033575	560668465	/nfs/dbraw/zinc/66/84/65/560668465.db2.gz	MASGYCWYZGRMJI-UHFFFAOYSA-N	-2	3	401.846	3.544	40	30		HHEBHL
C#CCOc1ccc(Br)cc1C=C(Sc1n[n-]c(CCC)n1)C(=O)[O-]	ZINC000408631554	557570162	/nfs/dbraw/zinc/57/01/62/557570162.db2.gz	KGSXOCDLGISUHY-UVTDQMKNSA-N	-2	3	422.304	3.750	40	30		HHEBHL
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2[O-])cc1	ZINC000055389459	523177704	/nfs/dbraw/zinc/17/77/04/523177704.db2.gz	JVKLYNSQJNELIP-NVMNQCDNSA-N	-2	3	405.277	3.967	40	30		HHEBHL
CCc1nnc(C2=C([O-])C(=Cc3cc(Br)ccc3[O-])SC2=N)s1	ZINC000137702744	569363124	/nfs/dbraw/zinc/36/31/24/569363124.db2.gz	PTIFXXMLBZPZSX-FMCCDNIHSA-N	-2	3	410.318	3.986	40	30		HHEBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000014134615	559153102	/nfs/dbraw/zinc/15/31/02/559153102.db2.gz	ZVRYQDTVUARYSL-UHFFFAOYSA-N	-2	3	415.453	3.792	40	30		HHEBHL
C=CCc1cccc(C=[NH+][N-]c2nnc(SCC(=O)OCc3ccccc3)[n-]2)c1[O-]	ZINC000020161199	558342628	/nfs/dbraw/zinc/34/26/28/558342628.db2.gz	FUCVONOVFZLIJI-WSDLNYQXSA-N	-2	3	423.498	3.520	40	30		HHEBHL