smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc1ccc([N+](=O)[O-])cc1	ZINC000005922762	561700180	/nfs/dbraw/zinc/70/01/80/561700180.db2.gz	MSOHKMPSBXBIGL-UHFFFAOYSA-O	1	3	546.648	4.226	1	10		KICFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]CCCN3CCn4c5ncnc(N)c5nc43)c2c1	ZINC000026398139	561787661	/nfs/dbraw/zinc/78/76/61/561787661.db2.gz	GNIYUIJKKXAPRF-UHFFFAOYSA-N	1	3	532.052	4.074	1	10		KICFHO
COc1cc2c(cc1OC)N(C)C[C@@H]1C2=NO[C@H]1CN1CC[NH+](CCC/C(C)=C/c2ccccc2)CC1	ZINC000038159257	562070442	/nfs/dbraw/zinc/07/04/42/562070442.db2.gz	JKWINILVOXJHQG-WTVFRJDWSA-N	1	3	504.675	4.374	1	10		KICFHO
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@H]3[C@H](C=C2)CCCN3CCNC(C)=O)cc1	ZINC000064235647	562704584	/nfs/dbraw/zinc/70/45/84/562704584.db2.gz	HRBKKSHDZGRQIV-HWCFGDHISA-N	1	3	604.792	4.146	1	10		KICFHO
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@H]3[C@@H](C=C2)CCCN3CCNC(C)=O)cc1	ZINC000064235651	562704545	/nfs/dbraw/zinc/70/45/45/562704545.db2.gz	HRBKKSHDZGRQIV-UDBCBOCPSA-N	1	3	604.792	4.146	1	10		KICFHO
COc1cccc(CN(CCN(C)C)C(=O)c2cn(CC[NH+]3CCCC3)c3cc(-c4cn[nH]c4)ccc23)c1	ZINC000073168666	562734741	/nfs/dbraw/zinc/73/47/41/562734741.db2.gz	NJEWXGRHRBUWSJ-UHFFFAOYSA-N	1	3	514.674	4.340	1	10		KICFHO
CC[C@]1(O)CN2C[C@H](/C=C(\C(=O)OC)c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@H+]4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]1c1[nH]c3ccccc3c1CC2	ZINC000095540702	562755933	/nfs/dbraw/zinc/75/59/33/562755933.db2.gz	JPJKITSCFHYWLR-ZKWWXIIISA-N	1	3	808.973	4.092	1	10		KICFHO
CC[C@]1(O)CN2C[C@H](/C=C(\C(=O)OC)c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@@H+]4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]1c1[nH]c3ccccc3c1CC2	ZINC000095540702	562755932	/nfs/dbraw/zinc/75/59/32/562755932.db2.gz	JPJKITSCFHYWLR-ZKWWXIIISA-N	1	3	808.973	4.092	1	10		KICFHO
C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1C[NH+]1CCCCC1)c1ccccc1	ZINC000095586607	562774026	/nfs/dbraw/zinc/77/40/26/562774026.db2.gz	CYQPDNCODDAEJU-ACHDSSIZSA-N	1	3	501.671	4.431	1	10		KICFHO
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@@H]3[C@@H](C=C2)CCCN3CCNC(C)=O)cc1	ZINC000169305341	562853437	/nfs/dbraw/zinc/85/34/37/562853437.db2.gz	HRBKKSHDZGRQIV-VFFYYLGXSA-N	1	3	604.792	4.146	1	10		KICFHO
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@@H]3[C@H](C=C2)CCCN3CCNC(C)=O)cc1	ZINC000195460094	562871964	/nfs/dbraw/zinc/87/19/64/562871964.db2.gz	HRBKKSHDZGRQIV-LKQHQURMSA-N	1	3	604.792	4.146	1	10		KICFHO