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+]2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000023280820	182355768	/nfs/dbraw/zinc/35/57/68/182355768.db2.gz	ILXOGKXVXYDXEM-UHFFFAOYSA-N	2	2	301.478	3.203	50	10		DGCALP
CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1O	ZINC000155085866	400700316	/nfs/dbraw/zinc/70/03/16/400700316.db2.gz	FRMSPYDSCMBARX-MRXNPFEDSA-N	2	2	308.385	3.214	50	10		DGCALP
CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)c2cccnc2c1O	ZINC000001571039	431228551	/nfs/dbraw/zinc/22/85/51/431228551.db2.gz	HOFHLRCDGWSLHX-UHFFFAOYSA-N	2	2	321.852	3.415	50	10	in-man	DGCALP
Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(N(C)C)cc1	ZINC000032750798	431789686	/nfs/dbraw/zinc/78/96/86/431789686.db2.gz	PXTWRZJWNCWMLS-UHFFFAOYSA-N	2	2	308.429	3.201	50	10		DGCALP
COc1cccc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c1O	ZINC000065409276	184339793	/nfs/dbraw/zinc/33/97/93/184339793.db2.gz	SZFSFQKGZQFXGR-INIZCTEOSA-N	2	2	315.417	3.042	50	10		DGCALP
COc1cccc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c1O	ZINC000065409276	184339794	/nfs/dbraw/zinc/33/97/94/184339794.db2.gz	SZFSFQKGZQFXGR-INIZCTEOSA-N	2	2	315.417	3.042	50	10		DGCALP
Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000067967550	432047595	/nfs/dbraw/zinc/04/75/95/432047595.db2.gz	AJCMSQRREOPKDY-UHFFFAOYSA-N	2	2	315.244	3.275	50	10		DGCALP
Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000067967550	432047598	/nfs/dbraw/zinc/04/75/98/432047598.db2.gz	AJCMSQRREOPKDY-UHFFFAOYSA-N	2	2	315.244	3.275	50	10		DGCALP
c1cn(CCC[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)c[nH+]1	ZINC001506399323	1186222175	/nfs/dbraw/zinc/22/21/75/1186222175.db2.gz	LYDRYQQNMKYUTI-UHFFFAOYSA-N	2	2	324.472	3.021	50	10		DGCALP
COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1O	ZINC000069568223	431200072	/nfs/dbraw/zinc/20/00/72/431200072.db2.gz	XYQQMRWQOJSZIS-CQSZACIVSA-N	2	2	323.396	3.437	50	10		DGCALP
COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C	ZINC000237358999	202243956	/nfs/dbraw/zinc/24/39/56/202243956.db2.gz	UFZRVXMOFYHJMQ-UHFFFAOYSA-N	2	2	311.429	3.157	50	10		DGCALP
CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1O	ZINC000155085762	400700661	/nfs/dbraw/zinc/70/06/61/400700661.db2.gz	FRMSPYDSCMBARX-INIZCTEOSA-N	2	2	308.385	3.214	50	10		DGCALP
COc1ccc(C[NH2+]Cc2cccs2)cc1Cn1cc[nH+]c1	ZINC000009740745	431444417	/nfs/dbraw/zinc/44/44/17/431444417.db2.gz	TYQKAENRODXYJO-UHFFFAOYSA-N	2	2	313.426	3.291	50	10		DGCALP
COc1cccc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1O	ZINC000065409275	184339824	/nfs/dbraw/zinc/33/98/24/184339824.db2.gz	SZFSFQKGZQFXGR-MRXNPFEDSA-N	2	2	315.417	3.042	50	10		DGCALP
COc1cccc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1O	ZINC000065409275	184339825	/nfs/dbraw/zinc/33/98/25/184339825.db2.gz	SZFSFQKGZQFXGR-MRXNPFEDSA-N	2	2	315.417	3.042	50	10		DGCALP
C[NH+](C)C1(CC2CC2)CC[NH+](Cc2cccc(F)c2O)CC1	ZINC000581811416	1092279286	/nfs/dbraw/zinc/27/92/86/1092279286.db2.gz	XBYXMJJDHRASKG-UHFFFAOYSA-N	2	2	306.425	3.228	50	10		DGCALP
COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1O	ZINC000069568221	431200476	/nfs/dbraw/zinc/20/04/76/431200476.db2.gz	XYQQMRWQOJSZIS-AWEZNQCLSA-N	2	2	323.396	3.437	50	10		DGCALP