smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216934987	557163047	/nfs/dbraw/zinc/16/30/47/557163047.db2.gz	CDDNBZSGVCNWMW-UHFFFAOYSA-N	0	1	444.601	2.967	40	70		IFIBMN
CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCCCCC1	ZINC000217017231	557166891	/nfs/dbraw/zinc/16/68/91/557166891.db2.gz	PBIOEWIIQIUEAR-UHFFFAOYSA-N	0	1	425.620	2.797	40	70		IFIBMN
COc1ccc(CNC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1	ZINC000217564004	557171484	/nfs/dbraw/zinc/17/14/84/557171484.db2.gz	SCZCOHIZVQWVAV-NRYAXDJKSA-N	0	1	435.568	2.949	40	70		IFIBMN
Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216943323	557164539	/nfs/dbraw/zinc/16/45/39/557164539.db2.gz	DZBQVVAQQJPYDO-IBGZPJMESA-N	0	1	444.601	2.848	40	70		IFIBMN
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217562738	557171538	/nfs/dbraw/zinc/17/15/38/557171538.db2.gz	KNFDXNCZWASWKH-FVJLSDCUSA-N	0	1	435.524	2.991	40	70		IFIBMN
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939382	557163910	/nfs/dbraw/zinc/16/39/10/557163910.db2.gz	GREUHDGERGQUMX-SFHVURJKSA-N	0	1	430.574	2.540	40	70		IFIBMN
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000216939519	557164393	/nfs/dbraw/zinc/16/43/93/557164393.db2.gz	VRJQNFNOJPTWIH-IBGZPJMESA-N	0	1	444.601	2.848	40	70		IFIBMN
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000216939538	557164288	/nfs/dbraw/zinc/16/42/88/557164288.db2.gz	VRJQNFNOJPTWIH-LJQANCHMSA-N	0	1	444.601	2.848	40	70		IFIBMN
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216939617	557164238	/nfs/dbraw/zinc/16/42/38/557164238.db2.gz	CWCPPVOHNZYLDA-IBGZPJMESA-N	0	1	444.601	2.848	40	70		IFIBMN
CN1CCN(c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216946944	557164973	/nfs/dbraw/zinc/16/49/73/557164973.db2.gz	STABTFPSWKDKBD-UHFFFAOYSA-N	0	1	448.564	2.762	40	70		IFIBMN
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939401	557164360	/nfs/dbraw/zinc/16/43/60/557164360.db2.gz	GREUHDGERGQUMX-GOSISDBHSA-N	0	1	430.574	2.540	40	70		IFIBMN
Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216943347	557164655	/nfs/dbraw/zinc/16/46/55/557164655.db2.gz	DZBQVVAQQJPYDO-LJQANCHMSA-N	0	1	444.601	2.848	40	70		IFIBMN
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216939636	557164340	/nfs/dbraw/zinc/16/43/40/557164340.db2.gz	CWCPPVOHNZYLDA-LJQANCHMSA-N	0	1	444.601	2.848	40	70		IFIBMN
COc1ccccc1CNC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217584406	557171684	/nfs/dbraw/zinc/17/16/84/557171684.db2.gz	MDUCHHWJBXGZKD-YYDVJCTNSA-N	0	1	435.568	2.949	40	70		IFIBMN