smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1	ZINC000328602770	569416696	/nfs/dbraw/zinc/41/66/96/569416696.db2.gz	CWTJCWMXXRMWIS-GOSISDBHSA-N	1	1	419.529	3.985	10	30		HHEEMO
C=CC[N@H+](Cc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043070509	518786353	/nfs/dbraw/zinc/78/63/53/518786353.db2.gz	MYFZQQJPXAXSLS-NRFANRHFSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=CC[N@@H+](Cc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043070509	518786358	/nfs/dbraw/zinc/78/63/58/518786358.db2.gz	MYFZQQJPXAXSLS-NRFANRHFSA-N	1	1	418.875	3.786	10	30		HHEEMO
CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1	ZINC000328602771	569416809	/nfs/dbraw/zinc/41/68/09/569416809.db2.gz	CWTJCWMXXRMWIS-SFHVURJKSA-N	1	1	419.529	3.985	10	30		HHEEMO
CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cc1	ZINC000328606960	569418772	/nfs/dbraw/zinc/41/87/72/569418772.db2.gz	UHFXGNHEWXPCJW-OPAMFIHVSA-N	1	1	411.506	3.793	10	30		HHEEMO
CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cc1	ZINC000328606960	569418773	/nfs/dbraw/zinc/41/87/73/569418773.db2.gz	UHFXGNHEWXPCJW-OPAMFIHVSA-N	1	1	411.506	3.793	10	30		HHEEMO
C=CC[N@@H+](Cc1cccc(Cl)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043075293	568880529	/nfs/dbraw/zinc/88/05/29/568880529.db2.gz	SRFCBPLRMAQNKU-OAQYLSRUSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=C(C)C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2ccccc2[nH]c1[C@@H]3O5	ZINC000003934228	568963377	/nfs/dbraw/zinc/96/33/77/568963377.db2.gz	ZFMVWAWSKLAVOE-IFKAHUTRSA-N	1	1	414.505	3.739	10	30	investigational	HHEEMO
Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)ccc3O)CC2)c(C)c1	ZINC000019791175	558282824	/nfs/dbraw/zinc/28/28/24/558282824.db2.gz	RHCNZJZJQPDJFZ-LPYMAVHISA-N	1	1	402.336	3.923	10	30		HHEEMO
COc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cc1OC	ZINC000328606265	569418477	/nfs/dbraw/zinc/41/84/77/569418477.db2.gz	QWKRBWXVKGABLS-IVZQSRNASA-N	1	1	414.506	3.852	10	30		HHEEMO
COc1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cc1OC	ZINC000328606265	569418479	/nfs/dbraw/zinc/41/84/79/569418479.db2.gz	QWKRBWXVKGABLS-IVZQSRNASA-N	1	1	414.506	3.852	10	30		HHEEMO
C=CC[N@@H+](Cc1ccc(Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043077802	568880565	/nfs/dbraw/zinc/88/05/65/568880565.db2.gz	YOHMEQIQDMTLOA-NRFANRHFSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043077800	568880614	/nfs/dbraw/zinc/88/06/14/568880614.db2.gz	YOHMEQIQDMTLOA-OAQYLSRUSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=CC[N@H+](Cc1ccc(CC)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043120242	568880504	/nfs/dbraw/zinc/88/05/04/568880504.db2.gz	UNNCVAALWVYWBN-HSZRJFAPSA-N	1	1	412.484	3.695	10	30		HHEEMO
CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)C(=O)c1ccc2c(c1)OCCO2	ZINC000669385247	569040386	/nfs/dbraw/zinc/04/03/86/569040386.db2.gz	TVERPGNIYXWNSF-LJQANCHMSA-N	1	1	402.535	3.582	10	30		HHEEMO
C=CC[N@H+](Cc1ccccc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043070505	518786500	/nfs/dbraw/zinc/78/65/00/518786500.db2.gz	MYFZQQJPXAXSLS-OAQYLSRUSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=CC[N@@H+](Cc1ccccc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043070505	518786505	/nfs/dbraw/zinc/78/65/05/518786505.db2.gz	MYFZQQJPXAXSLS-OAQYLSRUSA-N	1	1	418.875	3.786	10	30		HHEEMO
C=CC[N@H+](Cc1ccc(CC)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043120243	568880574	/nfs/dbraw/zinc/88/05/74/568880574.db2.gz	UNNCVAALWVYWBN-QHCPKHFHSA-N	1	1	412.484	3.695	10	30		HHEEMO
CCCCCCCC(=O)N[C@@H](C[NH+]1CCCC1)C(=O)c1ccc2c(c1)OCCO2	ZINC000669385246	569040382	/nfs/dbraw/zinc/04/03/82/569040382.db2.gz	TVERPGNIYXWNSF-IBGZPJMESA-N	1	1	402.535	3.582	10	30		HHEEMO
C=CC[N@@H+](Cc1cccc(Cl)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043075296	568880545	/nfs/dbraw/zinc/88/05/45/568880545.db2.gz	SRFCBPLRMAQNKU-NRFANRHFSA-N	1	1	418.875	3.786	10	30		HHEEMO