smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1	ZINC000012481665	132360952	/nfs/dbraw/zinc/36/09/52/132360952.db2.gz	LDLMKDZTKIOPHX-ROUUACIJSA-N	-1	3	421.513	1.924	10	0	biogenic	HDAEHM
CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cnc1N1CCNCC1	ZINC000065025221	569156240	/nfs/dbraw/zinc/15/62/40/569156240.db2.gz	BLFQKLZWGIZDMP-UHFFFAOYSA-N	-1	3	417.535	1.659	10	0		HDAEHM
Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1	ZINC000328602975	569416727	/nfs/dbraw/zinc/41/67/27/569416727.db2.gz	DNVGPUYFELMBTK-GJZGRUSLSA-N	-1	3	416.482	1.385	10	0		HDAEHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1nc2ccccc2s1	ZINC000017201226	560704540	/nfs/dbraw/zinc/70/45/40/560704540.db2.gz	BHGSRJIADMQMBQ-UHFFFAOYSA-N	-1	3	402.461	1.865	10	0		HDAEHM
O=C(COc1ccc2ccccc2c1)[N-]N1S(=O)(=O)c2ccccc2S1(=O)=O	ZINC000003583944	568917319	/nfs/dbraw/zinc/91/73/19/568917319.db2.gz	PMNXZPIKRYCPES-UHFFFAOYSA-N	-1	3	418.452	1.643	10	0		HDAEHM
CS(=O)(=O)[N-][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc(C(F)(F)F)c3)CO[C@H]12	ZINC000004235378	291197677	/nfs/dbraw/zinc/19/76/77/291197677.db2.gz	QZUWAGCHVUKHIC-UMSGYPCISA-N	-1	3	410.370	1.338	10	0		HDAEHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1	ZINC000013352589	569411258	/nfs/dbraw/zinc/41/12/58/569411258.db2.gz	SJJOCBCDSBYRGL-KRWDZBQOSA-N	-1	3	409.508	1.206	10	0		HDAEHM
O=C(c1cc([N-]S(=O)(=O)c2ccccc2)cnc1N1CCNCC1)N1CCCC1	ZINC000065025141	558591068	/nfs/dbraw/zinc/59/10/68/558591068.db2.gz	TVGSQZYRDJNMRQ-UHFFFAOYSA-N	-1	3	415.519	1.528	10	0		HDAEHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)c3ccco3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481086	291190588	/nfs/dbraw/zinc/19/05/88/291190588.db2.gz	JWPZUOGQEVVOQP-ROUUACIJSA-N	-1	3	405.495	1.777	10	0	biogenic	HDAEHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1	ZINC000328602974	569416789	/nfs/dbraw/zinc/41/67/89/569416789.db2.gz	DNVGPUYFELMBTK-CABCVRRESA-N	-1	3	416.482	1.385	10	0		HDAEHM
Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1	ZINC000328602977	569416805	/nfs/dbraw/zinc/41/68/05/569416805.db2.gz	DNVGPUYFELMBTK-LSDHHAIUSA-N	-1	3	416.482	1.385	10	0		HDAEHM
COCCN1C(=O)C[C@@H](CNC(=O)c2cc(C)nc(=O)[n-]2)[C@@H]1c1cnn(C(C)C)c1	ZINC000583623221	560776523	/nfs/dbraw/zinc/77/65/23/560776523.db2.gz	YBJMRVQIOHXJDQ-KBXCAEBGSA-N	-1	3	416.482	1.234	10	0		HDAEHM
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H]([N-]S(=O)(=O)c3cccs3)CO[C@H]12	ZINC000004222840	291199869	/nfs/dbraw/zinc/19/98/69/291199869.db2.gz	MGVSTBHSYAPWML-SJXGUFTOSA-N	-1	3	416.521	1.620	10	0	biogenic	HDAEHM
Nn1c(SCCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)nnc1-c1cccnc1	ZINC000020290679	558353882	/nfs/dbraw/zinc/35/38/82/558353882.db2.gz	GIGZFZVKSNMBKV-UHFFFAOYSA-N	-1	3	409.431	1.058	10	0		HDAEHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1	ZINC000328602976	569416751	/nfs/dbraw/zinc/41/67/51/569416751.db2.gz	DNVGPUYFELMBTK-HUUCEWRRSA-N	-1	3	416.482	1.385	10	0		HDAEHM
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000004899466	568941404	/nfs/dbraw/zinc/94/14/04/568941404.db2.gz	JGKHAFUAPZCCDU-BZSNNMDCSA-N	-1	3	407.511	1.408	10	0		HDAEHM
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccn3)CC2)C1	ZINC000020463375	560092969	/nfs/dbraw/zinc/09/29/69/560092969.db2.gz	RYGWRPPGOFNRDC-ROUUACIJSA-N	-1	3	404.511	1.180	10	0	biogenic	HDAEHM
O=C(NC1CCCCC1)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1[O-]	ZINC000004687651	558898409	/nfs/dbraw/zinc/89/84/09/558898409.db2.gz	SPQYFPQSPRGVJG-UHFFFAOYSA-N	-1	3	419.503	1.612	10	0		HDAEHM
CN(C)CCNC(=O)CN(C)c1ccc(NC(=O)c2ccccc2F)c(C(=O)[O-])c1	ZINC000064588799	569068927	/nfs/dbraw/zinc/06/89/27/569068927.db2.gz	XORUOELLQRMULU-UHFFFAOYSA-N	-1	3	416.453	1.890	10	0		HDAEHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1	ZINC000013352593	569411329	/nfs/dbraw/zinc/41/13/29/569411329.db2.gz	SJJOCBCDSBYRGL-QGZVFWFLSA-N	-1	3	409.508	1.206	10	0		HDAEHM