smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1	ZINC000020140023	563023804	/nfs/dbraw/zinc/02/38/04/563023804.db2.gz	LDSCTISAKYOJLD-HSZRJFAPSA-N	0	3	439.652	3.924	3	10		IHCFHN
COc1nc2ccccc2nc1C(=O)Nc1cc(C[NH+]2CCCC2)c([O-])c(N2CCCC2)c1	ZINC000040764022	563106470	/nfs/dbraw/zinc/10/64/70/563106470.db2.gz	LRCAPUZYLLCAIN-UHFFFAOYSA-N	0	3	447.539	3.792	1	10		IHCFHN
COc1cccc(N2CCN(C(=O)CN[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)c1	ZINC000026158035	563029121	/nfs/dbraw/zinc/02/91/21/563029121.db2.gz	KGBPNJJFPWWGNE-RUZDIDTESA-N	0	3	437.584	3.579	1	10		IHCFHN
NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1	ZINC000026935328	563037813	/nfs/dbraw/zinc/03/78/13/563037813.db2.gz	UTQGZAREXGEAIZ-UHFFFAOYSA-N	0	3	437.481	3.740	1	10		IHCFHN
O=S(=O)(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1	ZINC000045227822	563125619	/nfs/dbraw/zinc/12/56/19/563125619.db2.gz	UBYIIRKHZXGZLP-KRWDZBQOSA-N	0	3	428.476	3.744	1	10		IHCFHN
COc1ccc(N2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1	ZINC000072178081	563166216	/nfs/dbraw/zinc/16/62/16/563166216.db2.gz	SULXDXZNCPQTOL-UHFFFAOYSA-N	0	3	435.919	3.607	1	10		IHCFHN
CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1	ZINC000020140020	563023837	/nfs/dbraw/zinc/02/38/37/563023837.db2.gz	LDSCTISAKYOJLD-QHCPKHFHSA-N	0	3	439.652	3.924	3	10		IHCFHN
CCOc1cccc(CN2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O	ZINC000020866579	521338469	/nfs/dbraw/zinc/33/84/69/521338469.db2.gz	ARRSLQDGUDXOAX-OAQYLSRUSA-N	0	3	426.557	3.831	3	10		IHCFHN
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1	ZINC000013582473	562994790	/nfs/dbraw/zinc/99/47/90/562994790.db2.gz	MDHVRPTXQRFWPA-UHFFFAOYSA-N	0	3	449.551	3.871	1	10		IHCFHN
Cc1cccc2c1nc1c(C(=O)NCCN(C)C)cccc1c2Nc1cc(N)cc(CO)c1	ZINC000027524550	563043092	/nfs/dbraw/zinc/04/30/92/563043092.db2.gz	BXSUVYBYGMGNQF-UHFFFAOYSA-N	0	3	443.551	3.806	1	10		IHCFHN
CN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc21	ZINC000027206359	563040814	/nfs/dbraw/zinc/04/08/14/563040814.db2.gz	CIFCKHPVBBJPCG-UHFFFAOYSA-N	0	3	436.537	3.932	1	10		IHCFHN
CCN(CC)CCOc1cccc2c1C(=O)c1c(OCCN(CC)CC)cccc1C2=O	ZINC000027524223	563043026	/nfs/dbraw/zinc/04/30/26/563043026.db2.gz	VSLYRNHVUOTNBV-UHFFFAOYSA-N	0	3	438.568	3.903	1	10		IHCFHN
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O	ZINC000031440409	563083310	/nfs/dbraw/zinc/08/33/10/563083310.db2.gz	HAEKNXAACCDGRU-UHFFFAOYSA-N	0	3	449.382	3.716	1	10		IHCFHN
CN(C)CCNc1ccc2c3c(nn2Cc2ccccc2)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028758512	563063447	/nfs/dbraw/zinc/06/34/47/563063447.db2.gz	DZUBLELXHDIXDA-UHFFFAOYSA-N	0	3	428.492	3.681	1	10		IHCFHN
CCOc1cccc(CN2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O	ZINC000020866583	521342440	/nfs/dbraw/zinc/34/24/40/521342440.db2.gz	ARRSLQDGUDXOAX-NRFANRHFSA-N	0	3	426.557	3.831	3	10		IHCFHN
CN(C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc([N+](=O)[O-])cc4)c3nc12	ZINC000027742572	563046577	/nfs/dbraw/zinc/04/65/77/563046577.db2.gz	SKQALBCTHBUEPF-UHFFFAOYSA-N	0	3	429.480	3.837	1	10		IHCFHN
Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1	ZINC000013835852	563012199	/nfs/dbraw/zinc/01/21/99/563012199.db2.gz	GLAINAZGDXQPHT-NLFFAJNJSA-N	0	3	443.538	3.673	1	10		IHCFHN
CN(C)CCN1C(=O)c2cccc3c4[nH]c(-c5ccc(N(C)C)cc5)nc4cc(c32)C1=O	ZINC000028825851	563066304	/nfs/dbraw/zinc/06/63/04/563066304.db2.gz	LKGUGHCFUNDROY-UHFFFAOYSA-N	0	3	427.508	3.607	1	10		IHCFHN
O=S(=O)(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1	ZINC000045227825	563125659	/nfs/dbraw/zinc/12/56/59/563125659.db2.gz	UBYIIRKHZXGZLP-QGZVFWFLSA-N	0	3	428.476	3.744	1	10		IHCFHN
COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1	ZINC000073159703	563169362	/nfs/dbraw/zinc/16/93/62/563169362.db2.gz	CCYQJESCIMFJHW-UHFFFAOYSA-N	0	3	431.540	3.781	1	10		IHCFHN
CS(=O)(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc32)cc1)S(C)(=O)=O	ZINC000026842303	563037499	/nfs/dbraw/zinc/03/74/99/563037499.db2.gz	ZXBFSTKRIBQFHS-UHFFFAOYSA-N	0	3	441.534	3.857	1	10		IHCFHN
NC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026936247	563037876	/nfs/dbraw/zinc/03/78/76/563037876.db2.gz	COOHFUZFCHIZCO-UHFFFAOYSA-N	0	3	435.509	3.542	1	10		IHCFHN
CN(C)CCNc1c2ccsc2c(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000040934102	563112299	/nfs/dbraw/zinc/11/22/99/563112299.db2.gz	BLQAFRHLJBXAMF-UHFFFAOYSA-N	0	3	436.581	3.624	1	10		IHCFHN
COc1cccc(N2CCN(C(=O)CN[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)c1	ZINC000026158041	563029108	/nfs/dbraw/zinc/02/91/08/563029108.db2.gz	KGBPNJJFPWWGNE-VWLOTQADSA-N	0	3	437.584	3.579	1	10		IHCFHN
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O	ZINC000029410873	563079829	/nfs/dbraw/zinc/07/98/29/563079829.db2.gz	MEDMSJJBYWXUQL-UHFFFAOYSA-N	0	3	449.382	3.716	1	10		IHCFHN
O=C(c1ccc([N+](=O)[O-])o1)N1CCc2cc(N3CCN(Cc4ccccc4)CC3)ccc2C1	ZINC000035920810	563090427	/nfs/dbraw/zinc/09/04/27/563090427.db2.gz	YNXMIJVPYQYYNS-UHFFFAOYSA-N	0	3	446.507	3.709	1	10		IHCFHN