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)CCNC(=O)c1cccc2nc3c4ccccc4oc3nc21	ZINC000026171326	202140475	/nfs/dbraw/zinc/14/04/75/202140475.db2.gz	NLMHFPQMHPSYJD-UHFFFAOYSA-N	0	3	334.379	2.821	1	5		EFBFHN
CN(C)CCN1C(=O)c2cccc3cc4cccc(O)c4c(c32)C1=O	ZINC000027554893	202156378	/nfs/dbraw/zinc/15/63/78/202156378.db2.gz	XOFRRQGWAOSTKC-UHFFFAOYSA-N	0	3	334.375	2.856	1	5		EFBFHN
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CCC1[N+](=O)[O-]	ZINC000040410443	213300824	/nfs/dbraw/zinc/30/08/24/213300824.db2.gz	NWFOGEPIYXJXFZ-GBIKHYSHSA-N	0	3	330.768	2.861	1	5		EFBFHN
Cc1ccc2c(c1)c(=O)c1c3c(ccc1NCCCN(C)C)nnn32	ZINC000100852925	219108488	/nfs/dbraw/zinc/10/84/88/219108488.db2.gz	JAIMMYCQECJYMO-UHFFFAOYSA-N	0	3	335.411	2.506	1	5		EFBFHN
CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3	ZINC000003593487	210060916	/nfs/dbraw/zinc/06/09/16/210060916.db2.gz	AWAWTEICFANAMR-UHFFFAOYSA-N	0	3	339.395	2.620	1	5		EFBFHN
O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1CCC1[N+](=O)[O-]	ZINC000040410446	213300043	/nfs/dbraw/zinc/30/00/43/213300043.db2.gz	NWFOGEPIYXJXFZ-NRUUGDAUSA-N	0	3	330.768	2.861	1	5		EFBFHN
CN(C)CCN1C(=O)c2c(N)ccc3cc4ccccc4c(c32)C1=O	ZINC000027557955	202157709	/nfs/dbraw/zinc/15/77/09/202157709.db2.gz	DVQWTHIYRCEPTP-UHFFFAOYSA-N	0	3	333.391	2.733	1	5		EFBFHN
CN(C)CCNC(=O)c1cc2c3cnccc3n(C)c2c2cccnc12	ZINC000096921184	218899892	/nfs/dbraw/zinc/89/98/92/218899892.db2.gz	NVYQHNMJDNJPCO-UHFFFAOYSA-N	0	3	347.422	2.566	1	5		EFBFHN
Cc1nc2ccc(NCCN(C)C)c3c2n1c1ccc(F)cc1c3=O	ZINC000101446254	219127707	/nfs/dbraw/zinc/12/77/07/219127707.db2.gz	KPWXNVNNCQMVCZ-UHFFFAOYSA-N	0	3	338.386	2.860	1	5		EFBFHN
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CCC1[N+](=O)[O-]	ZINC000040410449	213299815	/nfs/dbraw/zinc/29/98/15/213299815.db2.gz	NWFOGEPIYXJXFZ-OUJBWJOFSA-N	0	3	330.768	2.861	1	5		EFBFHN
O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@H]1CCC1[N+](=O)[O-]	ZINC000040410452	213300054	/nfs/dbraw/zinc/30/00/54/213300054.db2.gz	NWFOGEPIYXJXFZ-KWBADKCTSA-N	0	3	330.768	2.861	1	5		EFBFHN
CN(C)CCN1C(=O)c2cccc3c4c(N)cccc4cc(c32)C1=O	ZINC000026838082	202149086	/nfs/dbraw/zinc/14/90/86/202149086.db2.gz	LMKAMKHUAUTREH-UHFFFAOYSA-N	0	3	333.391	2.733	1	5		EFBFHN
CN(C)CCNC(=O)c1cccc2nc3cccc(Cl)c3nc21	ZINC000027983320	202162473	/nfs/dbraw/zinc/16/24/73/202162473.db2.gz	VMELYRYRLGYPHH-UHFFFAOYSA-N	0	3	328.803	2.728	1	5		EFBFHN
CN(C)CCN1C(=O)c2ccc(N)c3cc4ccccc4c(c32)C1=O	ZINC000029343825	202185042	/nfs/dbraw/zinc/18/50/42/202185042.db2.gz	FQTOKODHDWOSTC-UHFFFAOYSA-N	0	3	333.391	2.733	1	5		EFBFHN
CN(C)CCNC(=O)c1cccc2nc3c4ccccc4[nH]c3nc21	ZINC000100794638	219107517	/nfs/dbraw/zinc/10/75/17/219107517.db2.gz	DNFRGLHKCJRQKR-UHFFFAOYSA-N	0	3	333.395	2.507	1	5		EFBFHN
O=c1[nH]c2ccc(N3CCN(CC4CC4)CC3)nc2c2ccccc21	ZINC000003815861	581101261	/nfs/dbraw/zinc/10/12/61/581101261.db2.gz	VRXNWWVVSARIFG-UHFFFAOYSA-N	0	3	334.423	2.608	1	5		EFBFHN