smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NC[C@@H]1CC[N@@H+](CCOC)C1)=[NH+]C	ZINC000065440960	361566919	/nfs/dbraw/zinc/56/69/19/361566919.db2.gz	UDSUDMVZMBBTSK-JTQLQIEISA-N	2	1	228.340	-0.251	50	30		BBEAMP
CNC(NC[C@H]1CC[N@@H+](CCOC)C1)=[NH+]C	ZINC000065440962	361567071	/nfs/dbraw/zinc/56/70/71/361567071.db2.gz	UDSUDMVZMBBTSK-SNVBAGLBSA-N	2	1	228.340	-0.251	50	30		BBEAMP
C[NH+]=C(NCCCOC)NCC[NH+](C)C	ZINC000069809506	388427176	/nfs/dbraw/zinc/42/71/76/388427176.db2.gz	QFQHCFMPAMERTN-UHFFFAOYSA-N	2	1	216.329	-0.251	50	30		BBEAMP
CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCOC)C1	ZINC000069920474	374040888	/nfs/dbraw/zinc/04/08/88/374040888.db2.gz	LSNPVAQGJDXRJK-SNVBAGLBSA-N	2	1	228.340	-0.121	50	30		BBEAMP
CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCOC)C1	ZINC000069920478	374040606	/nfs/dbraw/zinc/04/06/06/374040606.db2.gz	LSNPVAQGJDXRJK-JTQLQIEISA-N	2	1	228.340	-0.121	50	30		BBEAMP
CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCOCC1	ZINC000071847274	374309207	/nfs/dbraw/zinc/30/92/07/374309207.db2.gz	SNHVLVRPGKSPKZ-UHFFFAOYSA-N	2	1	228.340	-0.027	50	30		BBEAMP
C[NH+](C)CCC[N@@H+](C)CCCNC(=O)/C=N/O	ZINC000095115845	524053286	/nfs/dbraw/zinc/05/32/86/524053286.db2.gz	MBDDLBNLGSMFCM-JLHYYAGUSA-N	2	1	244.339	-0.164	50	30		BBEAMP
CNC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]C	ZINC000097000897	173211395	/nfs/dbraw/zinc/21/13/95/173211395.db2.gz	KJIAQZMXWDQZSK-NXEZZACHSA-N	2	1	226.324	-0.356	50	30		BBEAMP
CNC(NC[C@@H]1CCC[N@H+]1CCOC)=[NH+]C	ZINC000097001379	173211369	/nfs/dbraw/zinc/21/13/69/173211369.db2.gz	VOXMHQYMCNCPGQ-JTQLQIEISA-N	2	1	228.340	-0.108	50	30		BBEAMP
CNC(NC[C@H]1CCC[N@H+]1CCOC)=[NH+]C	ZINC000097001382	173211187	/nfs/dbraw/zinc/21/11/87/173211187.db2.gz	VOXMHQYMCNCPGQ-SNVBAGLBSA-N	2	1	228.340	-0.108	50	30		BBEAMP
CNC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]C	ZINC000108456993	487829376	/nfs/dbraw/zinc/82/93/76/487829376.db2.gz	KJIAQZMXWDQZSK-VHSXEESVSA-N	2	1	226.324	-0.356	50	30		BBEAMP
Cn1c(C=NNC2=[NH+]CCN2)c[n+]2ccccc12	ZINC000239562577	525397115	/nfs/dbraw/zinc/39/71/15/525397115.db2.gz	DEQZSQQDGFYBOE-UHFFFAOYSA-N	2	1	243.294	-0.354	50	30		BBEAMP