smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(-n2cc(-c3ccccc3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095605278	185015065	/nfs/dbraw/zinc/01/50/65/185015065.db2.gz	AYOMJWCPTKKGCF-UHFFFAOYSA-N	2	2	287.326	3.065	1	0		CGAFLP
C[NH2+]CC[N@H+](C)C1c2ccccc2CCc2ccccc21	ZINC000095793260	185027841	/nfs/dbraw/zinc/02/78/41/185027841.db2.gz	QWJQFIFUXVVHOA-UHFFFAOYSA-N	2	2	280.415	3.026	1	0		CGAFLP
C[NH2+]CC[N@@H+](C)C1c2ccccc2CCc2ccccc21	ZINC000095793260	185027843	/nfs/dbraw/zinc/02/78/43/185027843.db2.gz	QWJQFIFUXVVHOA-UHFFFAOYSA-N	2	2	280.415	3.026	1	0		CGAFLP
C[NH+](C)CC[NH2+][C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	ZINC000027707065	171529399	/nfs/dbraw/zinc/52/93/99/171529399.db2.gz	NCRPMUXCTIJTQL-HFTRVMKXSA-N	2	2	270.420	3.020	1	0		CGAFLP
CC[NH+](CC)CCNc1cc[nH+]c2c3ccccc3n(C)c21	ZINC000045302583	175355703	/nfs/dbraw/zinc/35/57/03/175355703.db2.gz	TVJYEWDMQNSAHJ-UHFFFAOYSA-N	2	2	296.418	3.480	1	0		CGAFLP
Nc1[nH+]ccc2ccc(-c3ccc4[nH+]ccn4c3)cc12	ZINC000045230677	175334574	/nfs/dbraw/zinc/33/45/74/175334574.db2.gz	YUJSGIUJPLJCOO-UHFFFAOYSA-N	2	2	260.300	3.132	1	0		CGAFLP
COc1cc[nH+]c(CNc2ccc3[nH]c(C)[nH+]c3c2)c1C	ZINC000095586382	185012988	/nfs/dbraw/zinc/01/29/88/185012988.db2.gz	VVFRXKNUWMELOY-UHFFFAOYSA-N	2	2	282.347	3.195	1	0		CGAFLP
[NH3+]CCc1[nH+]cn(Cc2ccccc2)c1Cc1ccccc1	ZINC000040503908	174300777	/nfs/dbraw/zinc/30/07/77/174300777.db2.gz	VOAFIHASOVKGPH-UHFFFAOYSA-N	2	2	291.398	3.023	1	0		CGAFLP
Cc1cc2cc(-c3ccc(C[NH3+])cc3)ccc2[nH+]c1N	ZINC000045357982	175362025	/nfs/dbraw/zinc/36/20/25/175362025.db2.gz	ULRMZZGLIBELBI-UHFFFAOYSA-N	2	2	263.344	3.251	1	0		CGAFLP
C[NH+](C)CC[NH2+][C@@H]1CC2c3ccccc3C1c1ccccc12	ZINC000022042711	171349969	/nfs/dbraw/zinc/34/99/69/171349969.db2.gz	ZPTCJEGLQRQVPK-IOJLRTSASA-N	2	2	292.426	3.187	1	0		CGAFLP
Cc1cc2ccc(-c3cccc(C[NH3+])c3)cc2[nH+]c1N	ZINC000045229350	175334274	/nfs/dbraw/zinc/33/42/74/175334274.db2.gz	MMYLNAFOYBHJNB-UHFFFAOYSA-N	2	2	263.344	3.251	1	0		CGAFLP
CNc1[nH+]c2cccc3c2n1C[C@H](C)[N@H+](CC=C(C)C)C3	ZINC000005890731	170150916	/nfs/dbraw/zinc/15/09/16/170150916.db2.gz	DLPSRMHYLNFVTE-ZDUSSCGKSA-N	2	2	284.407	3.248	1	0		CGAFLP
CNc1[nH+]c2cccc3c2n1C[C@H](C)[N@@H+](CC=C(C)C)C3	ZINC000005890731	170150918	/nfs/dbraw/zinc/15/09/18/170150918.db2.gz	DLPSRMHYLNFVTE-ZDUSSCGKSA-N	2	2	284.407	3.248	1	0		CGAFLP
C[NH+](C)CC[NH2+][C@H]1CC2c3ccccc3C1c1ccccc12	ZINC000022042707	171350357	/nfs/dbraw/zinc/35/03/57/171350357.db2.gz	ZPTCJEGLQRQVPK-GPJFCIFZSA-N	2	2	292.426	3.187	1	0		CGAFLP
Cc1[nH]c[nH+]c1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1	ZINC000045394337	175376368	/nfs/dbraw/zinc/37/63/68/175376368.db2.gz	HEAXBETWXPYFMF-GXTWGEPZSA-N	2	2	275.783	3.265	1	0		CGAFLP
Cc1ccc(-c2nc(C[N@@H+](C)C3CC[NH+](C)CC3)co2)cc1	ZINC000072182975	176335393	/nfs/dbraw/zinc/33/53/93/176335393.db2.gz	YQMJSQZOEAMHNK-UHFFFAOYSA-N	2	2	299.418	3.176	1	0		CGAFLP
Cc1ccc(-c2nc(C[N@H+](C)C3CC[NH+](C)CC3)co2)cc1	ZINC000072182975	176335394	/nfs/dbraw/zinc/33/53/94/176335394.db2.gz	YQMJSQZOEAMHNK-UHFFFAOYSA-N	2	2	299.418	3.176	1	0		CGAFLP
CNc1[nH+]c2cccc3c2n1C[C@@H](C)[N@H+](CC=C(C)C)C3	ZINC000005890368	170150701	/nfs/dbraw/zinc/15/07/01/170150701.db2.gz	DLPSRMHYLNFVTE-CYBMUJFWSA-N	2	2	284.407	3.248	1	0		CGAFLP
CNc1[nH+]c2cccc3c2n1C[C@@H](C)[N@@H+](CC=C(C)C)C3	ZINC000005890368	170150704	/nfs/dbraw/zinc/15/07/04/170150704.db2.gz	DLPSRMHYLNFVTE-CYBMUJFWSA-N	2	2	284.407	3.248	1	0		CGAFLP
Nc1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c[nH+]1	ZINC000071416325	176160294	/nfs/dbraw/zinc/16/02/94/176160294.db2.gz	CGZUNDRSSBKACX-MRXNPFEDSA-N	2	2	297.402	3.111	1	0		CGAFLP
Nc1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c[nH+]1	ZINC000071416324	176160314	/nfs/dbraw/zinc/16/03/14/176160314.db2.gz	CGZUNDRSSBKACX-INIZCTEOSA-N	2	2	297.402	3.111	1	0		CGAFLP