smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000174750410	532077091	/nfs/dbraw/zinc/07/70/91/532077091.db2.gz	YFWNJANNMHUAPJ-CQSZACIVSA-N	1	2	386.290	2.017	10	10		GECELO
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000174750410	532077099	/nfs/dbraw/zinc/07/70/99/532077099.db2.gz	YFWNJANNMHUAPJ-CQSZACIVSA-N	1	2	386.290	2.017	10	10		GECELO
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000174750419	532076888	/nfs/dbraw/zinc/07/68/88/532076888.db2.gz	YFWNJANNMHUAPJ-AWEZNQCLSA-N	1	2	386.290	2.017	10	10		GECELO
CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000174750419	532076896	/nfs/dbraw/zinc/07/68/96/532076896.db2.gz	YFWNJANNMHUAPJ-AWEZNQCLSA-N	1	2	386.290	2.017	10	10		GECELO
Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc5c(c4)OCO5)CC3)C2=O)c1	ZINC000020408177	207191495	/nfs/dbraw/zinc/19/14/95/207191495.db2.gz	ZGGMARDKBFSBOP-SFHVURJKSA-N	1	2	393.443	2.178	10	10		GECELO
C[NH+]1CCN(C2=NC(=O)/C(=C\c3cc(Br)ccc3O)S2)CC1	ZINC000020220128	207184313	/nfs/dbraw/zinc/18/43/13/207184313.db2.gz	MRVHXAKCDVGREZ-UKTHLTGXSA-N	1	2	382.283	2.372	10	10		GECELO
Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc5c(c4)OCO5)CC3)C2=O)c1	ZINC000103624956	136191242	/nfs/dbraw/zinc/19/12/42/136191242.db2.gz	ZGGMARDKBFSBOP-GOSISDBHSA-N	1	2	393.443	2.178	10	10		GECELO
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCCn1cc[nH+]c1	ZINC000033537516	209182168	/nfs/dbraw/zinc/18/21/68/209182168.db2.gz	TXZGCUSKSVINJC-RVDMUPIBSA-N	1	2	386.502	2.291	10	10		GECELO
CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(N(C)C)cc1	ZINC000065295995	210986197	/nfs/dbraw/zinc/98/61/97/210986197.db2.gz	LDVCUSOREVMYTA-UHFFFAOYSA-N	1	2	381.484	2.055	10	10		GECELO
O=C1N=C(N2CC[NH+](CCO)CC2)S/C1=C/c1ccccc1C(F)(F)F	ZINC000020289582	210327259	/nfs/dbraw/zinc/32/72/59/210327259.db2.gz	MPGBIMOPLYFCER-SDNWHVSQSA-N	1	2	385.411	2.286	10	10		GECELO
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCn1cc[nH+]c1	ZINC000033585622	209182439	/nfs/dbraw/zinc/18/24/39/209182439.db2.gz	YJEDDMOJWGKPOQ-UKTHLTGXSA-N	1	2	392.531	2.352	10	10		GECELO
O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1c[nH+]c[nH]1	ZINC000033543445	209181771	/nfs/dbraw/zinc/18/17/71/209181771.db2.gz	LVMQNFFTYVTTLC-VGOFMYFVSA-N	1	2	390.465	2.109	10	10		GECELO
O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1c[nH]c[nH+]1	ZINC000033543445	209181776	/nfs/dbraw/zinc/18/17/76/209181776.db2.gz	LVMQNFFTYVTTLC-VGOFMYFVSA-N	1	2	390.465	2.109	10	10		GECELO
O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1c[nH+]c[nH]1	ZINC000033526565	212110526	/nfs/dbraw/zinc/11/05/26/212110526.db2.gz	VULCVEWHWXYJKX-JYRVWZFOSA-N	1	2	392.531	2.421	10	10		GECELO
O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1c[nH]c[nH+]1	ZINC000033526565	212110531	/nfs/dbraw/zinc/11/05/31/212110531.db2.gz	VULCVEWHWXYJKX-JYRVWZFOSA-N	1	2	392.531	2.421	10	10		GECELO