smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)cc1	ZINC000263628667	570173710	/nfs/dbraw/zinc/17/37/10/570173710.db2.gz	CXASDMLFFCUZLF-VLQXBSJCSA-N	1	2	457.538	2.659	10	30		JFEELO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccco2)cnn1-c1ccccc1	ZINC000102495554	130149657	/nfs/dbraw/zinc/14/96/57/130149657.db2.gz	BPTUTJXJZKLVLQ-FEYWKWKCSA-N	1	2	476.533	2.918	10	30		JFEELO
CC[NH+](CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000004213506	562932733	/nfs/dbraw/zinc/93/27/33/562932733.db2.gz	FWFVLWGEFDIZMJ-FOMYWIRZSA-N	1	2	475.626	2.674	10	30	world	JFEELO
CCN(CC)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c(O)c1	ZINC000009140106	520883058	/nfs/dbraw/zinc/88/30/58/520883058.db2.gz	UBXHFXHPGAOFDZ-PXLXIMEGSA-N	1	2	477.543	2.614	10	30		JFEELO
O=C(/N=C1\[NH+]=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012729528	195098158	/nfs/dbraw/zinc/09/81/58/195098158.db2.gz	ZMPPOISQMNBOCP-RWEWTDSWSA-N	1	2	462.531	2.592	10	30		JFEELO
CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000009186023	520881319	/nfs/dbraw/zinc/88/13/19/520881319.db2.gz	YALGVCZFADZOGT-CJLVFECKSA-N	1	2	461.544	2.908	10	30		JFEELO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437665	536561008	/nfs/dbraw/zinc/56/10/08/536561008.db2.gz	PICARNUASGIMEM-QQYUXEJHSA-N	1	2	479.577	2.905	10	30		JFEELO
CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(O)c1	ZINC000009138525	520883511	/nfs/dbraw/zinc/88/35/11/520883511.db2.gz	KWWXMEKBGXAMGM-PXLXIMEGSA-N	1	2	477.543	2.614	10	30		JFEELO
Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccco2)cnn1-c1ccccc1	ZINC000102495560	130149718	/nfs/dbraw/zinc/14/97/18/130149718.db2.gz	BPTUTJXJZKLVLQ-UGUGFTGJSA-N	1	2	476.533	2.918	10	30		JFEELO
CCNC(=O)C1=C(c2ccc(C[NH+]3CCOCC3)cc2)C(=C2C=C(C(C)C)C(=O)CC2=O)ON1	ZINC000109565971	569860561	/nfs/dbraw/zinc/86/05/61/569860561.db2.gz	SWDZPNJZKUGIIH-LKUDQCMESA-N	1	2	465.550	2.762	10	30		JFEELO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437672	536561379	/nfs/dbraw/zinc/56/13/79/536561379.db2.gz	PICARNUASGIMEM-MYXKAAJQSA-N	1	2	479.577	2.905	10	30		JFEELO
C=CCNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@H]1[C@@H]2C	ZINC000003840504	518964490	/nfs/dbraw/zinc/96/44/90/518964490.db2.gz	NRHKLRSDQIMMSS-BOJHYSLSSA-N	1	2	476.687	2.879	10	30	biogenic	JFEELO
C=CCNc1nc2c(s1)C[C@]1(C)CC[C@@H]([C@H](C)C(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@H]1[C@@H]2C	ZINC000003840503	518964693	/nfs/dbraw/zinc/96/46/93/518964693.db2.gz	NRHKLRSDQIMMSS-JCTLWEGCSA-N	1	2	476.687	2.879	10	30	biogenic	JFEELO
CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)cc1	ZINC000263628666	570173772	/nfs/dbraw/zinc/17/37/72/570173772.db2.gz	CXASDMLFFCUZLF-MVUPHONASA-N	1	2	457.538	2.659	10	30		JFEELO