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)CCn1nc2c3c1ccc(NCCNS(C)(=O)=O)c3C(=O)c1ccncc1-2	ZINC000027634999	563044899	/nfs/dbraw/zinc/04/48/99/563044899.db2.gz	YUVHYUMYUOPERW-UHFFFAOYSA-N	0	3	428.518	1.165	1	10		IDCFHN
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(NCCNCCO)c1=O	ZINC000045252929	563126765	/nfs/dbraw/zinc/12/67/65/563126765.db2.gz	CPYDGVQEYKJGKY-UHFFFAOYSA-N	0	3	442.520	1.283	1	10		IDCFHN
N[C@H](Cc1c[nH]cn1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447204	563153147	/nfs/dbraw/zinc/15/31/47/563153147.db2.gz	QCYSGBGFJPSNQB-LJQANCHMSA-N	0	3	427.464	1.622	1	10		IDCFHN
N[C@H](Cc1cnc[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447204	563153148	/nfs/dbraw/zinc/15/31/48/563153148.db2.gz	QCYSGBGFJPSNQB-LJQANCHMSA-N	0	3	427.464	1.622	1	10		IDCFHN
CN(C)CCNc1ccc(NCCN(C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029547183	563081727	/nfs/dbraw/zinc/08/17/27/563081727.db2.gz	PZFIYRMLBPJIHG-UHFFFAOYSA-N	0	3	442.516	1.183	1	10		IDCFHN
C[NH+](C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000031895993	563083699	/nfs/dbraw/zinc/08/36/99/563083699.db2.gz	WZHAPCPAGDAPHU-GOSISDBHSA-N	0	3	437.500	1.810	1	10		IDCFHN
Nc1ccc(CNC(=O)[C@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1	ZINC000040862422	563108261	/nfs/dbraw/zinc/10/82/61/563108261.db2.gz	OLVBHHKZJHJFLO-DNVCBOLYSA-N	0	3	433.434	1.849	1	10		IDCFHN
O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)ccc(NCCNCCO)c21	ZINC000005545072	562944081	/nfs/dbraw/zinc/94/40/81/562944081.db2.gz	STNRHJRWYBFSLU-UHFFFAOYSA-N	0	3	438.528	1.200	1	10		IDCFHN
O=S(=O)(c1cccc2nonc21)N1CCOc2c(N3CCNCC3)cc(Cl)cc21	ZINC000028948466	563069338	/nfs/dbraw/zinc/06/93/38/563069338.db2.gz	UILFHHHDGMYIKU-UHFFFAOYSA-N	0	3	435.893	1.874	1	10		IDCFHN
O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2ccc3c(c2)OCCO3)CC1	ZINC000045506436	563134908	/nfs/dbraw/zinc/13/49/08/563134908.db2.gz	XXTVGXWXLWZKLI-UHFFFAOYSA-N	0	3	436.516	1.803	1	10		IDCFHN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(C[N+](C)(C)C)c2cc1C3	ZINC000003924669	562939378	/nfs/dbraw/zinc/93/93/78/562939378.db2.gz	RVAWPAPSHVMDAN-DEOSSOPVSA-O	0	3	436.488	1.991	1	10		IDCFHN
Nc1ccc(CNC(=O)[C@@H]2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1	ZINC000040862420	563108334	/nfs/dbraw/zinc/10/83/34/563108334.db2.gz	OLVBHHKZJHJFLO-BEFAXECRSA-N	0	3	433.434	1.849	1	10		IDCFHN
N[C@@H](Cc1c[nH]cn1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447205	563153246	/nfs/dbraw/zinc/15/32/46/563153246.db2.gz	QCYSGBGFJPSNQB-IBGZPJMESA-N	0	3	427.464	1.622	1	10		IDCFHN
N[C@@H](Cc1cnc[nH]1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447205	563153247	/nfs/dbraw/zinc/15/32/47/563153247.db2.gz	QCYSGBGFJPSNQB-IBGZPJMESA-N	0	3	427.464	1.622	1	10		IDCFHN