smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(C3CCCCC3)nc1)C2	ZINC000217034825	432653474	/nfs/dbraw/zinc/65/34/74/432653474.db2.gz	ZVELSHHXAOPAPN-PIIMJCKOSA-N	1	1	315.461	3.381	50	70		DGIAMO
COCC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1	ZINC000160447295	432720701	/nfs/dbraw/zinc/72/07/01/432720701.db2.gz	WQLWXQCNOZHBCO-UHFFFAOYSA-N	1	1	309.413	3.291	50	70		DGIAMO
O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217755690	432655742	/nfs/dbraw/zinc/65/57/42/432655742.db2.gz	GZRWUMIGVOLZJV-DOTOQJQBSA-N	1	1	320.864	3.263	50	70	biogenic	DGIAMO
CC(=O)Nc1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1	ZINC000217545636	432656523	/nfs/dbraw/zinc/65/65/23/432656523.db2.gz	LMTJPEYRKYBZAC-HXUWFJFHSA-N	1	1	323.440	3.134	50	70		DGIAMO
CC(=O)Nc1ccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1	ZINC000217545636	432656530	/nfs/dbraw/zinc/65/65/30/432656530.db2.gz	LMTJPEYRKYBZAC-HXUWFJFHSA-N	1	1	323.440	3.134	50	70		DGIAMO
O=C(Cc1cccs1)NC[C@H]1CC[N@H+](C2CCCCC2)C1	ZINC000218265525	432658639	/nfs/dbraw/zinc/65/86/39/432658639.db2.gz	JKJVREXTEFCXDL-CQSZACIVSA-N	1	1	306.475	3.061	50	70		DGIAMO
CCCCc1nc(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)[nH]1	ZINC000217086750	432655246	/nfs/dbraw/zinc/65/52/46/432655246.db2.gz	BHENYNNXAHYTAN-JYAVWHMHSA-N	1	1	311.857	3.263	50	70		DGIAMO
CC(=O)Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1	ZINC000217952770	432657909	/nfs/dbraw/zinc/65/79/09/432657909.db2.gz	MFOLUEGRZCKXGP-GOEBONIOSA-N	1	1	319.474	3.397	50	70	biogenic	DGIAMO
Cc1ccc(N2CC[N@@H+](Cc3cnn(C)c3C3CC3)[C@@H](C)C2)cc1	ZINC000216837640	432652955	/nfs/dbraw/zinc/65/29/55/432652955.db2.gz	HEJUDSUJGZCESL-INIZCTEOSA-N	1	1	324.472	3.317	50	70		DGIAMO
Cc1ccc(Sc2ccc(CN3CC[NH+](C)CC3)o2)cc1	ZINC000217978345	432659216	/nfs/dbraw/zinc/65/92/16/432659216.db2.gz	DRQAMCJZZOPUDO-UHFFFAOYSA-N	1	1	302.443	3.487	50	70		DGIAMO
O=C(Cc1cccs1)NC[C@@H]1CC[N@H+](C2CCCCC2)C1	ZINC000218265473	432659257	/nfs/dbraw/zinc/65/92/57/432659257.db2.gz	JKJVREXTEFCXDL-AWEZNQCLSA-N	1	1	306.475	3.061	50	70		DGIAMO
CC(C)=CCC/C(C)=C/C[N@H+]1CCCn2nc(CO)cc2C1	ZINC000217214510	432654601	/nfs/dbraw/zinc/65/46/01/432654601.db2.gz	WGMZSDCFQPGOKL-LZYBPNLTSA-N	1	1	303.450	3.274	50	70		DGIAMO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc3cc(O)ccc3c1)C2	ZINC000217715323	432656816	/nfs/dbraw/zinc/65/68/16/432656816.db2.gz	DATOARSXHWSEHV-RUYXUALKSA-N	1	1	310.441	3.317	50	70		DGIAMO
C[NH+](C)[C@@H](C(=O)NC1(c2ccccc2)CC1)c1cccc(F)c1	ZINC000218600290	257273967	/nfs/dbraw/zinc/27/39/67/257273967.db2.gz	BNKYCSBVCMVYDQ-QGZVFWFLSA-N	1	1	312.388	3.234	50	70		DGIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2cc[nH]c2c1	ZINC000217749625	432656228	/nfs/dbraw/zinc/65/62/28/432656228.db2.gz	DXEPJCWXNOMXCM-FUHWJXTLSA-N	1	1	311.429	3.162	50	70	biogenic	DGIAMO
CCCn1ncc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1C	ZINC000217778900	432656828	/nfs/dbraw/zinc/65/68/28/432656828.db2.gz	YYQDHTROMMWNRA-LJQANCHMSA-N	1	1	312.461	3.090	50	70		DGIAMO
CCCn1ncc(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1C	ZINC000217778900	432656833	/nfs/dbraw/zinc/65/68/33/432656833.db2.gz	YYQDHTROMMWNRA-LJQANCHMSA-N	1	1	312.461	3.090	50	70		DGIAMO
CC(C)c1ncc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1	ZINC000217936045	432655997	/nfs/dbraw/zinc/65/59/97/432655997.db2.gz	QHDFVAWMUOBWHH-GOSISDBHSA-N	1	1	310.445	3.089	50	70		DGIAMO
O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1OCc1ccccc1)C2	ZINC000217524566	432656990	/nfs/dbraw/zinc/65/69/90/432656990.db2.gz	ZYYZOBAIRFZVBL-KXTWHKPSSA-N	1	1	323.436	3.468	50	70		DGIAMO
Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O	ZINC000217345690	432655357	/nfs/dbraw/zinc/65/53/57/432655357.db2.gz	CPAIQSRDVKBRCU-PBKGOJFUSA-N	1	1	304.821	3.332	50	70		DGIAMO
C[NH+](C)[C@H](C(=O)NC1(c2ccccc2)CC1)c1cccc(F)c1	ZINC000218600372	257274016	/nfs/dbraw/zinc/27/40/16/257274016.db2.gz	BNKYCSBVCMVYDQ-KRWDZBQOSA-N	1	1	312.388	3.234	50	70		DGIAMO