smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(CCN1CCCc2[nH+]c(C)c(C)cc21)=N\O[C@@H](C)CN1CCCc2[nH+]c(C)c(C)cc21	ZINC000003965276	562940168	/nfs/dbraw/zinc/94/01/68/562940168.db2.gz	LMNOKOKSRGEJLQ-CQGIGXBHSA-N	2	2	449.643	5.087	1	30		IKEFLP
C/C(=[NH+]\OCC[NH+]1CCCCC1)c1ccc(Nc2c3ccoc3nc3ccccc32)cc1	ZINC000072109817	563163240	/nfs/dbraw/zinc/16/32/40/563163240.db2.gz	MAHXHKXQMQCDEB-VUTHCHCSSA-N	2	2	428.536	5.951	1	30		IKEFLP
N#Cc1ccccc1C1CC[NH+](C2CCC(Nc3cc(-c4cccnc4)cc[nH+]3)CC2)CC1	ZINC000045191211	563123763	/nfs/dbraw/zinc/12/37/63/563123763.db2.gz	BHPSMWSLAYTBQB-UHFFFAOYSA-N	2	2	437.591	5.618	1	30		IKEFLP
C1=C(CS/C(NC2CCCCCCC2)=[NH+]\C2CCCCCCC2)N2CC[NH+]=C2S1	ZINC000049841346	563140436	/nfs/dbraw/zinc/14/04/36/563140436.db2.gz	XPJOLOSQHLCVQV-UHFFFAOYSA-N	2	2	434.719	6.151	1	30		IKEFLP
C/C(=[NH+]\OCC[NH+]1CCCC1)c1ccc(Nc2c3c(Cl)coc3nc3ccccc32)cc1	ZINC000072109827	563163222	/nfs/dbraw/zinc/16/32/22/563163222.db2.gz	FYGOBSPQJOZIEQ-STBIYBPSSA-N	2	2	448.954	6.214	1	30		IKEFLP
C[NH+](C)CCC[NH+]=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21	ZINC000027099894	563039552	/nfs/dbraw/zinc/03/95/52/563039552.db2.gz	ZMUNARJCZIBMDJ-QJFNKMOXSA-N	2	2	441.497	5.018	1	30		IKEFLP
C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2ccccc2Cl)CC1	ZINC000034145480	563085619	/nfs/dbraw/zinc/08/56/19/563085619.db2.gz	FLDUIORQSZUCFH-DSDZLBHNSA-N	2	2	432.052	5.675	1	30		IKEFLP
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2ccccc2Cl)CC1	ZINC000034145480	563085620	/nfs/dbraw/zinc/08/56/20/563085620.db2.gz	FLDUIORQSZUCFH-DSDZLBHNSA-N	2	2	432.052	5.675	1	30		IKEFLP
CCCCCCCCn1cc(C[NH+](CC)CC)c2cc(-c3ccc(N(C)C)[nH+]c3)ccc21	ZINC000096258404	563196559	/nfs/dbraw/zinc/19/65/59/563196559.db2.gz	AESUMZVPDCXARG-UHFFFAOYSA-N	2	2	434.672	6.972	1	30		IKEFLP
CC(C)(C)C1CCC(NC(=[NH+]C2CCCCC2)SCC2=CSC3=[NH+]CCN23)CC1	ZINC000049538466	581091761	/nfs/dbraw/zinc/09/17/61/581091761.db2.gz	ARVJDGCNDRWPJH-UHFFFAOYSA-N	2	2	434.719	5.863	1	30		IKEFLP
CCCCCNC(=[NH2+])Nc1ccc2cc3ccc(NC(=[NH2+])NCCCCC)cc3[nH+]c2c1	ZINC000095555125	563181373	/nfs/dbraw/zinc/18/13/73/563181373.db2.gz	VLOOZTQVIOHKFC-UHFFFAOYSA-N	3	2	433.604	5.031	1	30		IKEFLP
CC(C)c1cc(CCC[NH2+]Cc2cccc(NC(=[NH2+])c3cccs3)c2)cc(C(C)C)c1O	ZINC000026248501	563029994	/nfs/dbraw/zinc/02/99/94/563029994.db2.gz	HBLITAGEUJBYRA-UHFFFAOYSA-N	2	2	449.664	6.460	1	30		IKEFLP
CC(C)NC(=[NH2+])Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC(C)C)cc3)cc2)cc1	ZINC000040379440	563099532	/nfs/dbraw/zinc/09/95/32/563099532.db2.gz	FTVYTODPEHWSPL-UHFFFAOYSA-N	2	2	428.584	5.500	1	30		IKEFLP
C1=C(CSC(NC2C3CC4CC(C3)CC2C4)=[NH+]C2CCCCC2)N2CC[NH+]=C2S1	ZINC000049850474	563140454	/nfs/dbraw/zinc/14/04/54/563140454.db2.gz	FLOCMOFUMUFEEN-UHFFFAOYSA-N	2	2	430.687	5.082	1	30		IKEFLP
C=CCc1ccccc1OCc1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1	ZINC000027547937	563043465	/nfs/dbraw/zinc/04/34/65/563043465.db2.gz	FYIYSCHMWQYQEC-UHFFFAOYSA-N	2	2	434.649	5.777	1	30		IKEFLP
C1=C(CSC(NC23CC4CC(CC(C4)C2)C3)=[NH+]C2CCCCC2)N2CC[NH+]=C2S1	ZINC000049567453	563138918	/nfs/dbraw/zinc/13/89/18/563138918.db2.gz	SUMQRSOWPMBGQJ-UHFFFAOYSA-N	2	2	430.687	5.227	1	30		IKEFLP
COc1ccc2c(c1)nc1occc1c2Nc1ccc(/C(C)=[NH+]/OCC[NH+]2CCCC2)cc1	ZINC000072142334	563164744	/nfs/dbraw/zinc/16/47/44/563164744.db2.gz	NRNILGSJNUUZOV-RDRPBHBLSA-N	2	2	444.535	5.570	1	30		IKEFLP
C[NH+](C)CCC[NH+]=C1C[C@@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027087678	563039146	/nfs/dbraw/zinc/03/91/46/563039146.db2.gz	REJGCZOVNRGTSO-FEMJLHABSA-N	2	2	442.390	5.306	1	30		IKEFLP
CO/[NH+]=C(\C)c1ccc(Nc2cc(/C=C/c3ccc([N+](=O)[O-])o3)[nH+]c3ccccc23)cc1	ZINC000045336625	563131508	/nfs/dbraw/zinc/13/15/08/563131508.db2.gz	HSFXVGVYGQJRGL-URYLQBCASA-N	2	2	428.448	6.020	1	30		IKEFLP
C[NH+](C)CCC[NH+]=C1C[C@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21	ZINC000027087681	563039222	/nfs/dbraw/zinc/03/92/22/563039222.db2.gz	REJGCZOVNRGTSO-ZSBXOSQLSA-N	2	2	442.390	5.306	1	30		IKEFLP
CCCCCCCCCCCCCCC(=O)N1CCC(C2CC[NH+](CC[NH3+])CC2)CC1	ZINC000042890299	563116069	/nfs/dbraw/zinc/11/60/69/563116069.db2.gz	HEZMYPIWSIXHCI-UHFFFAOYSA-N	2	2	435.741	5.987	1	30		IKEFLP