smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCN1CC[NH+](CCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)CC1	ZINC000005760430	561698185	/nfs/dbraw/zinc/69/81/85/561698185.db2.gz	XLXKZIUKDHYCMC-UHFFFAOYSA-N	1	2	622.594	3.319	1	5		KGBFLO
CCOC(=O)C(Cc1ccccc1[N+](=O)[O-])(C(=O)OCC)N1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000026185918	561772619	/nfs/dbraw/zinc/77/26/19/561772619.db2.gz	KRXBLMOOYVCYBN-UHFFFAOYSA-N	1	2	503.983	3.474	1	5		KGBFLO
O=c1c2ccc3c4ccc5c(=O)n(CCC[NH+]6CCOCC6)c(=O)c6ccc(c7ccc(c(=O)n1CCCN1CCOCC1)c2c37)c4c56	ZINC000028126531	561904995	/nfs/dbraw/zinc/90/49/95/561904995.db2.gz	CULAZNNOUPDNAQ-UHFFFAOYSA-N	1	2	644.728	3.408	1	5		KGBFLO
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000028342365	561914346	/nfs/dbraw/zinc/91/43/46/561914346.db2.gz	RZUATXWQPSNUIZ-IQANXLHVSA-N	1	2	517.630	3.057	1	5		KGBFLO
CSC(=S)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045259632	562659980	/nfs/dbraw/zinc/65/99/80/562659980.db2.gz	XJSIXJKCVWOZAB-INIZCTEOSA-N	1	2	509.585	3.212	1	5		KGBFLO
O=C(NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1)c1ccc([N+](=O)[O-])s1	ZINC000049679813	562669008	/nfs/dbraw/zinc/66/90/08/562669008.db2.gz	BENBIWBGMYXAAF-KRWDZBQOSA-N	1	2	574.547	3.374	1	5		KGBFLO
[NH3+][C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1	ZINC000064532011	562707428	/nfs/dbraw/zinc/70/74/28/562707428.db2.gz	MHWKYKCRSVNTCO-IFEIPUBUSA-N	1	2	509.584	3.275	1	5		KGBFLO
Cc1cc2c(c(-c3cccc([N+](=O)[O-])c3)nnc2NCCC[NH+]2CCN(C(=O)c3ccno3)CC2)n1C	ZINC000095544160	562757645	/nfs/dbraw/zinc/75/76/45/562757645.db2.gz	WIEVGPICAKQAIL-UHFFFAOYSA-N	1	2	504.551	3.100	1	5		KGBFLO
O=[N+]([O-])c1ccc([C@H]2NC(=S)N=C3C(=Cc4cccc([N+](=O)[O-])c4)CN(CC[NH+]4CCOCC4)CC32)cc1	ZINC000096282910	562794709	/nfs/dbraw/zinc/79/47/09/562794709.db2.gz	IMROSJFJTFKOFI-FTAOIEMSSA-N	1	2	536.614	3.007	1	5		KGBFLO
O=[N+]([O-])c1ccc([C@@H]2NC(=S)N=C3C(=Cc4cccc([N+](=O)[O-])c4)CN(CC[NH+]4CCOCC4)CC32)cc1	ZINC000096282911	562794693	/nfs/dbraw/zinc/79/46/93/562794693.db2.gz	IMROSJFJTFKOFI-VEWQMQJVSA-N	1	2	536.614	3.007	1	5		KGBFLO
O=[N+]([O-])c1ccccc1-c1nnc(SCCCN2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1	ZINC000103237384	562819008	/nfs/dbraw/zinc/81/90/08/562819008.db2.gz	SAHZJXVJHURJMC-AREMUKBSSA-N	1	2	586.625	3.202	1	5		KGBFLO
O=[N+]([O-])c1ccccc1-c1nnc(SCCCN2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1	ZINC000103237386	562818961	/nfs/dbraw/zinc/81/89/61/562818961.db2.gz	SAHZJXVJHURJMC-SANMLTNESA-N	1	2	586.625	3.202	1	5		KGBFLO
O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1	ZINC000103237389	562819070	/nfs/dbraw/zinc/81/90/70/562819070.db2.gz	COWYKEHFRLCLNA-AREMUKBSSA-N	1	2	586.625	3.202	1	5		KGBFLO
O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1	ZINC000103237392	562819016	/nfs/dbraw/zinc/81/90/16/562819016.db2.gz	COWYKEHFRLCLNA-SANMLTNESA-N	1	2	586.625	3.202	1	5		KGBFLO
C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)Cc5cccc([N+](=O)[O-])c5)c(=S)n4N)cn1c32	ZINC000103289673	562824025	/nfs/dbraw/zinc/82/40/25/562824025.db2.gz	BBCPXCJOMTXTMA-QGZVFWFLSA-N	1	2	622.683	3.064	1	5		KGBFLO
C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)Cc5cccc([N+](=O)[O-])c5)c(=S)n4N)cn1c32	ZINC000103289675	562824018	/nfs/dbraw/zinc/82/40/18/562824018.db2.gz	BBCPXCJOMTXTMA-KRWDZBQOSA-N	1	2	622.683	3.064	1	5		KGBFLO
CC1=C[C@@H](c2ccccc2)N=C(Nn2c(=O)c3ccc4c(=O)n(NC5=[NH+][C@H](c6ccccc6)C=C(C)N5)c(=O)c5ccc(c2=O)c3c45)N1	ZINC000150539170	562844119	/nfs/dbraw/zinc/84/41/19/562844119.db2.gz	KSHNDKKSARILIM-NSOVKSMOSA-N	1	2	636.672	3.361	1	5		KGBFLO
CC1=C[C@H](c2ccccc2)N=C(Nn2c(=O)c3ccc4c(=O)n(NC5=[NH+][C@@H](c6ccccc6)C=C(C)N5)c(=O)c5ccc(c2=O)c3c45)N1	ZINC000150539173	562844126	/nfs/dbraw/zinc/84/41/26/562844126.db2.gz	KSHNDKKSARILIM-VSGBNLITSA-N	1	2	636.672	3.361	1	5		KGBFLO
COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000299831373	562885569	/nfs/dbraw/zinc/88/55/69/562885569.db2.gz	OETOXDRKSOSMQV-CPUMGYLUSA-N	1	2	524.482	3.405	1	5		KGBFLO
O=c1c(F)cn(Cc2[nH+]c3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000653816497	562913979	/nfs/dbraw/zinc/91/39/79/562913979.db2.gz	VWAWQUXVWDJVBL-UHFFFAOYSA-N	1	2	530.472	3.460	1	5		KGBFLO