smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c2ccccc2[nH+]c1NCc1ccc(N(C)C)cc1	ZINC000000525027	567833266	/nfs/dbraw/zinc/83/32/66/567833266.db2.gz	GDTTVGVMJGMIPR-UHFFFAOYSA-N	1	2	294.402	3.734	50	10		CHCALO
Cc1nc(Nc2ccc(N)cc2)cc(NC2CCCCC2)[nH+]1	ZINC000206579914	567931890	/nfs/dbraw/zinc/93/18/90/567931890.db2.gz	VYOQPGOYFNJPGE-UHFFFAOYSA-N	1	2	297.406	3.855	50	10		CHCALO
C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1	ZINC000019634971	567877931	/nfs/dbraw/zinc/87/79/31/567877931.db2.gz	RISPVDIVGKGSIN-VIFPVBQESA-N	1	2	274.191	3.931	50	10		CHCALO
Cn1c2ccccc2[nH+]c1NCc1cc(Cl)ccc1O	ZINC000000285495	567824070	/nfs/dbraw/zinc/82/40/70/567824070.db2.gz	YHUMCRANUCCGDD-UHFFFAOYSA-N	1	2	287.750	3.544	50	10		CHCALO
CCCn1c2ccccc2[nH+]c1NCc1ccccc1O	ZINC000000111401	567818428	/nfs/dbraw/zinc/81/84/28/567818428.db2.gz	LNGMWZJNFMSDIZ-UHFFFAOYSA-N	1	2	281.359	3.764	50	10		CHCALO
CC(C)n1c2ccccc2[nH+]c1NCc1ccccc1O	ZINC000000099250	567910590	/nfs/dbraw/zinc/91/05/90/567910590.db2.gz	MKRVXBSKMQGFCA-UHFFFAOYSA-N	1	2	281.359	3.935	50	10		CHCALO
Oc1c(Cl)cc(Cl)cc1CNc1cccc[nH+]1	ZINC000018117090	567876469	/nfs/dbraw/zinc/87/64/69/567876469.db2.gz	OVNBKDROKHKFFR-UHFFFAOYSA-N	1	2	269.131	3.706	50	10		CHCALO
Oc1ccc2ccccc2c1CNc1cccc[nH+]1	ZINC000004808771	170020344	/nfs/dbraw/zinc/02/03/44/170020344.db2.gz	BTNMASYOYBGEOO-UHFFFAOYSA-N	1	2	250.301	3.553	50	10		CHCALO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)C(F)(F)F	ZINC000016671419	570405364	/nfs/dbraw/zinc/40/53/64/570405364.db2.gz	OOKLPIHIOILAGH-UHFFFAOYSA-N	1	2	290.244	3.889	50	10		CHCALO
CCn1c2ccccc2[nH+]c1NCc1cc(C)ccc1O	ZINC000000285488	567823849	/nfs/dbraw/zinc/82/38/49/567823849.db2.gz	APJLAFFWPYZDSD-UHFFFAOYSA-N	1	2	281.359	3.682	50	10		CHCALO
C[NH+](C)c1ccc(NCc2cc(Cl)ccc2O)cc1	ZINC000057611237	567895191	/nfs/dbraw/zinc/89/51/91/567895191.db2.gz	WYQGZAULGFFJBF-UHFFFAOYSA-N	1	2	276.767	3.724	50	10		CHCALO
Nc1[nH+]cccc1OCc1ccc(Cl)c(Cl)c1	ZINC000000131798	567819373	/nfs/dbraw/zinc/81/93/73/567819373.db2.gz	VOTVZLZLBKYLNJ-UHFFFAOYSA-N	1	2	269.131	3.550	50	10		CHCALO
Oc1c(Cl)cc(Cl)cc1C[NH+]1CCCCC1	ZINC000031969707	570310591	/nfs/dbraw/zinc/31/05/91/570310591.db2.gz	QBBRFUFZUZSXIO-UHFFFAOYSA-N	1	2	260.164	3.685	50	10		CHCALO
Cc1oc(-c2ccccc2C)nc1COc1ccc[nH+]c1N	ZINC000067910122	567196571	/nfs/dbraw/zinc/19/65/71/567196571.db2.gz	DIYHQHWWDWAYRL-UHFFFAOYSA-N	1	2	295.342	3.515	50	10		CHCALO
CCn1c2ccccc2[nH+]c1N[C@@H](C)c1ccccc1O	ZINC000000285507	567823920	/nfs/dbraw/zinc/82/39/20/567823920.db2.gz	GYDDAFZWIFFBMV-LBPRGKRZSA-N	1	2	281.359	3.935	50	10		CHCALO
C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1	ZINC000019634967	567878212	/nfs/dbraw/zinc/87/82/12/567878212.db2.gz	RISPVDIVGKGSIN-SECBINFHSA-N	1	2	274.191	3.931	50	10		CHCALO
CCN(CC)c1ccc(CNc2cccc[nH+]2)cc1	ZINC000019772617	170857300	/nfs/dbraw/zinc/85/73/00/170857300.db2.gz	KJQPOHCDURLNCV-UHFFFAOYSA-N	1	2	255.365	3.540	50	10		CHCALO
Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)no1	ZINC000021720095	171321041	/nfs/dbraw/zinc/32/10/41/171321041.db2.gz	SAUXPJFOICXQME-AWEZNQCLSA-N	1	2	292.766	3.679	50	10		CHCALO
Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)no1	ZINC000021720095	171321043	/nfs/dbraw/zinc/32/10/43/171321043.db2.gz	SAUXPJFOICXQME-AWEZNQCLSA-N	1	2	292.766	3.679	50	10		CHCALO
Cc1ccncc1C1=CCN(c2cc[nH+]c(C(C)C)n2)CC1	ZINC000095943720	567136951	/nfs/dbraw/zinc/13/69/51/567136951.db2.gz	VCIPJTLRFFUSFS-UHFFFAOYSA-N	1	2	294.402	3.597	50	10		CHCALO
Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)no1	ZINC000021720097	171320796	/nfs/dbraw/zinc/32/07/96/171320796.db2.gz	SAUXPJFOICXQME-CQSZACIVSA-N	1	2	292.766	3.679	50	10		CHCALO
Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)no1	ZINC000021720097	171320799	/nfs/dbraw/zinc/32/07/99/171320799.db2.gz	SAUXPJFOICXQME-CQSZACIVSA-N	1	2	292.766	3.679	50	10		CHCALO
CCn1c2ccccc2[nH+]c1N[C@H](C)c1ccccc1O	ZINC000000285508	567823918	/nfs/dbraw/zinc/82/39/18/567823918.db2.gz	GYDDAFZWIFFBMV-GFCCVEGCSA-N	1	2	281.359	3.935	50	10		CHCALO