smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[NH+](C)CC2)[N@@H+](CC2CCCCC2)C1	ZINC000012246540	558361684	/nfs/dbraw/zinc/36/16/84/558361684.db2.gz	KHYDPOVSUZHTMP-UXHICEINSA-N	2	1	419.639	2.700	10	0		HFAEMP
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[NH+](CC2CCCCC2)C1	ZINC000012246540	558361687	/nfs/dbraw/zinc/36/16/87/558361687.db2.gz	KHYDPOVSUZHTMP-UXHICEINSA-N	2	1	419.639	2.700	10	0		HFAEMP
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[NH+](CC2CCCCC2)C1	ZINC000012246540	558361690	/nfs/dbraw/zinc/36/16/90/558361690.db2.gz	KHYDPOVSUZHTMP-UXHICEINSA-N	2	1	419.639	2.700	10	0		HFAEMP
COc1cc(C[N@H+](C)Cc2ccncn2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000012457237	568754668	/nfs/dbraw/zinc/75/46/68/568754668.db2.gz	DKYVKVSUZLXKEO-NRFANRHFSA-N	2	1	414.550	2.733	10	0		HFAEMP
COc1cc(C[N@@H+](C)Cc2ccncn2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000012457237	568754669	/nfs/dbraw/zinc/75/46/69/568754669.db2.gz	DKYVKVSUZLXKEO-NRFANRHFSA-N	2	1	414.550	2.733	10	0		HFAEMP
Cc1cnc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012029652	558311028	/nfs/dbraw/zinc/31/10/28/558311028.db2.gz	IZJULOOLJUACGD-DEOSSOPVSA-N	2	1	418.541	2.873	10	0		HFAEMP
Cc1cnc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012029652	558311029	/nfs/dbraw/zinc/31/10/29/558311029.db2.gz	IZJULOOLJUACGD-DEOSSOPVSA-N	2	1	418.541	2.873	10	0		HFAEMP
Cc1cccc(N2CC[NH+](CCNC(=O)[C@H]3CCCN(c4cc[nH+]cc4)C3)CC2)c1C	ZINC000033128892	558882682	/nfs/dbraw/zinc/88/26/82/558882682.db2.gz	BHTHBCCAURTHIB-QFIPXVFZSA-N	2	1	421.589	2.853	10	0		HFAEMP
COc1cc(C[N@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000012457240	568754693	/nfs/dbraw/zinc/75/46/93/568754693.db2.gz	DKYVKVSUZLXKEO-OAQYLSRUSA-N	2	1	414.550	2.733	10	0		HFAEMP
COc1cc(C[N@@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000012457240	568754694	/nfs/dbraw/zinc/75/46/94/568754694.db2.gz	DKYVKVSUZLXKEO-OAQYLSRUSA-N	2	1	414.550	2.733	10	0		HFAEMP
C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CC3CCCCC3)on2)CC1	ZINC000015673684	291220660	/nfs/dbraw/zinc/22/06/60/291220660.db2.gz	NVRWVXCPYZJQLW-PMACEKPBSA-N	2	1	402.583	2.730	10	0		HFAEMP
CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1	ZINC000023359090	558551529	/nfs/dbraw/zinc/55/15/29/558551529.db2.gz	IOBRWKKCGJIQLO-FPOVZHCZSA-N	2	1	407.002	2.881	10	0		HFAEMP
CC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600435	521688809	/nfs/dbraw/zinc/68/88/09/521688809.db2.gz	QMVRKSWAFIILPC-XMMPIXPASA-N	2	1	409.574	2.622	10	0		HFAEMP
CCOc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1Br	ZINC000013733316	558587608	/nfs/dbraw/zinc/58/76/08/558587608.db2.gz	WAELFMBVAIXAQE-UHFFFAOYSA-N	2	1	410.150	2.672	10	0		HFAEMP
CC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000020600434	521688952	/nfs/dbraw/zinc/68/89/52/521688952.db2.gz	QMVRKSWAFIILPC-DEOSSOPVSA-N	2	1	409.574	2.622	10	0		HFAEMP
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2Cl)CCN(c2[nH+]cnc3[nH]ccc32)CC1	ZINC000045368487	527127830	/nfs/dbraw/zinc/12/78/30/527127830.db2.gz	TUKDHYPEOCEIMO-UHFFFAOYSA-N	2	1	419.316	2.879	10	0		HFAEMP
Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCN(c4cc[nH+]cc4)C3)CC2)c1C	ZINC000033128891	558882690	/nfs/dbraw/zinc/88/26/90/558882690.db2.gz	BHTHBCCAURTHIB-JOCHJYFZSA-N	2	1	421.589	2.853	10	0		HFAEMP
Cc1cnc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012029654	558310918	/nfs/dbraw/zinc/31/09/18/558310918.db2.gz	IZJULOOLJUACGD-XMMPIXPASA-N	2	1	418.541	2.873	10	0		HFAEMP
Cc1cnc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012029654	558310921	/nfs/dbraw/zinc/31/09/21/558310921.db2.gz	IZJULOOLJUACGD-XMMPIXPASA-N	2	1	418.541	2.873	10	0		HFAEMP
Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1	ZINC000009407436	569285057	/nfs/dbraw/zinc/28/50/57/569285057.db2.gz	GYAKVFOGFLJOFQ-UHFFFAOYSA-N	2	1	421.549	2.757	10	0		HFAEMP