smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCC[NH3+])cc3)nc2c(=O)n(CC)c1=O	ZINC000026276041	561778351	/nfs/dbraw/zinc/77/83/51/561778351.db2.gz	IWXQVKQUPPWKNV-SFHVURJKSA-N	1	3	528.614	-0.339	1	0		KBAFHO
[NH3+]C[C@H]1O[C@@H](O[C@@H](CNCc2ccc(SC(F)(F)F)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O	ZINC000028223961	561907703	/nfs/dbraw/zinc/90/77/03/561907703.db2.gz	ZQQWMVDSUUFGAZ-XKXSSWDPSA-N	1	3	578.566	-0.623	1	0		KBAFHO
CN(Cc1ccc(-c2ccccc2)cc1)C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028225563	561907926	/nfs/dbraw/zinc/90/79/26/561907926.db2.gz	JTPXGOHMZJZWRP-WBSGOERWSA-N	1	3	568.627	-0.225	1	0		KBAFHO
NC[C@H]1O[C@@H](O[C@@H](C[NH2+]CCc2ccc(Oc3ccccc3)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O	ZINC000028227242	561908314	/nfs/dbraw/zinc/90/83/14/561908314.db2.gz	DUUYVLXZKPZXPH-WBSGOERWSA-N	1	3	584.626	-0.400	1	0		KBAFHO
CC(C)(C)c1ccc(C[NH2+]C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)cc1	ZINC000028228012	561908430	/nfs/dbraw/zinc/90/84/30/561908430.db2.gz	CZBHKKCHKMVIKG-VXAIIWMZSA-N	1	3	534.610	-0.937	1	0		KBAFHO
CCCCC[NH+](CCCCC)C[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028229422	561908853	/nfs/dbraw/zinc/90/88/53/561908853.db2.gz	RWQVQCUDCXZINH-VXAIIWMZSA-N	1	3	528.647	-0.342	1	0		KBAFHO
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+])C(N)=O	ZINC000028264977	561912479	/nfs/dbraw/zinc/91/24/79/561912479.db2.gz	HPOCYHUDQWANBX-IIZANFQQSA-N	1	3	726.945	-0.122	1	0		KBAFHO
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@@H](N)CN)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000028964045	561984648	/nfs/dbraw/zinc/98/46/48/561984648.db2.gz	JECWSLYCUFBGKC-INIZCTEOSA-N	1	3	539.601	-0.513	1	0		KBAFHO
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@H](N)CN)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000028964051	561984659	/nfs/dbraw/zinc/98/46/59/561984659.db2.gz	JECWSLYCUFBGKC-MRXNPFEDSA-N	1	3	539.601	-0.513	1	0		KBAFHO
NC(=[NH2+])NCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(N)=[NH2+])cc1	ZINC000072142628	562729551	/nfs/dbraw/zinc/72/95/51/562729551.db2.gz	AKONMZDZNATZKC-UXHICEINSA-N	1	3	503.629	-0.258	1	0		KBAFHO
CN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3C)cn2CCC[NH3+])cn1C	ZINC000073279630	562737406	/nfs/dbraw/zinc/73/74/06/562737406.db2.gz	KIAZNMSICBRGKI-UHFFFAOYSA-N	1	3	527.590	-0.332	1	0		KBAFHO
CN(C)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3CCC[NH3+])cn2C)cn1C	ZINC000084688373	562749199	/nfs/dbraw/zinc/74/91/99/562749199.db2.gz	DNMWMFWKECFDTK-UHFFFAOYSA-N	1	3	527.590	-0.332	1	0		KBAFHO
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N1CCCN1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000095553626	562760985	/nfs/dbraw/zinc/76/09/85/562760985.db2.gz	AKLWZCFAFVCJDE-FAFCAGHDSA-N	1	3	784.923	-0.138	1	0		KBAFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000095607235	562782681	/nfs/dbraw/zinc/78/26/81/562782681.db2.gz	VJSDDODVYCLGDV-MRNVWEPHSA-N	1	3	789.939	-0.875	1	0		KBAFHO
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)CC(N)=O	ZINC000095607235	562782680	/nfs/dbraw/zinc/78/26/80/562782680.db2.gz	VJSDDODVYCLGDV-MRNVWEPHSA-N	1	3	789.939	-0.875	1	0		KBAFHO
NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc2ccccc2)cc1	ZINC000096168445	562790682	/nfs/dbraw/zinc/79/06/82/562790682.db2.gz	JRGYHLAOYQDMNM-LEWJYISDSA-N	1	3	518.640	-0.319	1	0		KBAFHO
CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+])C(N)=O	ZINC000096902692	562797613	/nfs/dbraw/zinc/79/76/13/562797613.db2.gz	HPOCYHUDQWANBX-RULDIGERSA-N	1	3	726.945	-0.122	1	0		KBAFHO
CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)[C@@H](C)CC	ZINC000096915688	562801066	/nfs/dbraw/zinc/80/10/66/562801066.db2.gz	KBECAIVPZFSWQG-JFZIVLOISA-N	1	3	546.717	-0.004	1	0		KBAFHO