smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1[O-]	ZINC000013133101	487561721	/nfs/dbraw/zinc/56/17/21/487561721.db2.gz	WNPOIOPYLLSBQR-YFQWEKLQSA-N	-1	3	362.382	0.898	50	10		FCCAHM
COc1cccc([C@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]32)c1[O-]	ZINC000004581128	204148470	/nfs/dbraw/zinc/14/84/70/204148470.db2.gz	WNPOIOPYLLSBQR-SJBDTSRBSA-N	-1	3	362.382	0.898	50	10		FCCAHM
CCCN1C(=O)C(=CNCC(C)(C)N2CCOCC2)C(=O)[N-]C1=S	ZINC000105490368	488509618	/nfs/dbraw/zinc/50/96/18/488509618.db2.gz	WVLUYOGVWXDNMU-ZRDIBKRKSA-N	-1	3	354.476	0.224	50	10		FCCAHM
COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1[O-]	ZINC000169302470	206249098	/nfs/dbraw/zinc/24/90/98/206249098.db2.gz	WNPOIOPYLLSBQR-OXRQTFEDSA-N	-1	3	362.382	0.898	50	10		FCCAHM
CCOC(=O)C(=C([O-])c1cc(C)nn1C)C1(O)C(=O)c2ccccc2C1=O	ZINC000020606514	487611300	/nfs/dbraw/zinc/61/13/00/487611300.db2.gz	KCVRTJRSGMLZED-CQSZACIVSA-N	-1	3	370.361	0.901	50	10		FCCAHM
CCOc1ccc(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)cc1	ZINC000019362706	487604505	/nfs/dbraw/zinc/60/45/05/487604505.db2.gz	BOIYDELPYVPNAS-SDNWHVSQSA-N	-1	3	362.455	0.868	50	10		FCCAHM
COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1[O-]	ZINC000245236886	488463077	/nfs/dbraw/zinc/46/30/77/488463077.db2.gz	WNPOIOPYLLSBQR-RSLFNQERSA-N	-1	3	362.382	0.898	50	10		FCCAHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NC#N	ZINC000669632678	493516296	/nfs/dbraw/zinc/51/62/96/493516296.db2.gz	PQWAOATXVFCFPV-ZROIWOOFSA-O	-1	3	356.387	0.617	50	10		FCCAHM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)c1	ZINC000002248729	132382924	/nfs/dbraw/zinc/38/29/24/132382924.db2.gz	ONSNGYYZENWDQI-ZRDIBKRKSA-N	-1	3	362.386	0.322	50	10		FCCAHM
CC[C@H](C)N1C(=O)C(=CNCCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000020329423	487609423	/nfs/dbraw/zinc/60/94/23/487609423.db2.gz	LTOAQTAJQIWMPI-OWRWYXLESA-N	-1	3	354.476	0.224	50	10		FCCAHM
CN1CCN(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)CC1	ZINC000020439483	487611165	/nfs/dbraw/zinc/61/11/65/487611165.db2.gz	BAVPSNHVLTVZKX-GXDHUFHOSA-N	-1	3	361.377	0.244	50	10		FCCAHM
CCOC(=O)C(=C([O-])c1cc(C)nn1C)C1(O)C(=O)c2ccccc2C1=O	ZINC000020606516	487611214	/nfs/dbraw/zinc/61/12/14/487611214.db2.gz	KCVRTJRSGMLZED-AWEZNQCLSA-N	-1	3	370.361	0.901	50	10		FCCAHM
COc1cccc([C@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1[O-]	ZINC000013133100	487561460	/nfs/dbraw/zinc/56/14/60/487561460.db2.gz	WNPOIOPYLLSBQR-ZVZLLHMNSA-N	-1	3	362.382	0.898	50	10		FCCAHM
COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1[O-]	ZINC000004581126	207029649	/nfs/dbraw/zinc/02/96/49/207029649.db2.gz	WNPOIOPYLLSBQR-OVSNFEJUSA-N	-1	3	362.382	0.898	50	10		FCCAHM
COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1[O-]	ZINC000013133099	211024142	/nfs/dbraw/zinc/02/41/42/211024142.db2.gz	WNPOIOPYLLSBQR-PAKFGRKTSA-N	-1	3	362.382	0.898	50	10		FCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(Cc2ccc(F)cc2)C1=O	ZINC000002590203	487470342	/nfs/dbraw/zinc/47/03/42/487470342.db2.gz	MUOJOBMIRTXASH-UKTHLTGXSA-N	-1	3	350.419	0.604	50	10		FCCAHM
COC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(OC)cc3)CC2)n1	ZINC000009423168	487524990	/nfs/dbraw/zinc/52/49/90/487524990.db2.gz	KPDNLCMPYNLWDQ-UHFFFAOYSA-N	-1	3	358.398	0.821	50	10		FCCAHM
COc1cccc([C@@H]2[NH2+][C@](C)(C(=O)[O-])[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1[O-]	ZINC000245236887	488462883	/nfs/dbraw/zinc/46/28/83/488462883.db2.gz	WNPOIOPYLLSBQR-SDFXEEBMSA-N	-1	3	362.382	0.898	50	10		FCCAHM
CCN1C(=O)C(=CNc2cccc3c2C(=O)[N-]C3=O)C(=O)N(CC)C1=S	ZINC000006590079	487496753	/nfs/dbraw/zinc/49/67/53/487496753.db2.gz	ZBMNXHSUXMZTMD-UHFFFAOYSA-N	-1	3	372.406	0.862	50	10		FCCAHM
CC[C@@H](C)N1C(=O)C(=CNCCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000020329418	522104190	/nfs/dbraw/zinc/10/41/90/522104190.db2.gz	LTOAQTAJQIWMPI-RVROTUBLSA-N	-1	3	354.476	0.224	50	10		FCCAHM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCCCN1CCOCC1	ZINC000020330558	487610004	/nfs/dbraw/zinc/61/00/04/487610004.db2.gz	DAVBPFLOVREREP-FYWRMAATSA-N	-1	3	374.466	0.630	50	10		FCCAHM
CCCCN1C(=O)C(=CNCCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000020289360	520554125	/nfs/dbraw/zinc/55/41/25/520554125.db2.gz	QOFYADVGKNHHPB-OUKQBFOZSA-N	-1	3	354.476	0.226	50	10		FCCAHM
COc1ccc(N2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2(C)C)cc1	ZINC000077456701	132186322	/nfs/dbraw/zinc/18/63/22/132186322.db2.gz	LQOYLJOXDIRHJL-UHFFFAOYSA-N	-1	3	358.398	0.813	50	10		FCCAHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NC#N	ZINC000669632677	493515958	/nfs/dbraw/zinc/51/59/58/493515958.db2.gz	PQWAOATXVFCFPV-NTEUORMPSA-O	-1	3	356.387	0.617	50	10		FCCAHM