smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1csc(NC(=NC2CCCCC2)Nc2cc[nH+]c3ccccc23)n1	ZINC000026157813	210243265	/nfs/dbraw/zinc/24/32/65/210243265.db2.gz	GGQUUPIUXCYZNL-UHFFFAOYSA-N	1	1	351.479	4.713	10	30		FJEEMO
C=CCNC(=O)[C@H]1CC[C@H](c2ccc(CC)cc2)[N@H+](Cc2ccccc2)C1	ZINC000034711531	570532707	/nfs/dbraw/zinc/53/27/07/570532707.db2.gz	HNALNIBZMMCPBV-XZOQPEGZSA-N	1	1	362.517	4.505	10	30		FJEEMO
Cc1noc(C2CC2)c1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000328602979	571323812	/nfs/dbraw/zinc/32/38/12/571323812.db2.gz	DOJQBILOWLFOTA-XMSQKQJNSA-N	1	1	365.477	4.751	10	30		FJEEMO
Cc1cccc(/N=C2/c3ccccc3N(C[N@@H+](C)C3CCCCC3)C2=O)c1	ZINC000020071846	211266421	/nfs/dbraw/zinc/26/64/21/211266421.db2.gz	FPXGAEMNZKZCTK-GYHWCHFESA-N	1	1	361.489	4.684	10	30		FJEEMO
Cc1cccc(/N=C2/c3ccccc3N(C[N@H+](C)C3CCCCC3)C2=O)c1	ZINC000020071846	211266425	/nfs/dbraw/zinc/26/64/25/211266425.db2.gz	FPXGAEMNZKZCTK-GYHWCHFESA-N	1	1	361.489	4.684	10	30		FJEEMO
CCC1([C@@](O)(C#CC[N@@H+](C)Cc2ccccc2)c2ccccc2)CCCC1	ZINC000096194493	571334852	/nfs/dbraw/zinc/33/48/52/571334852.db2.gz	XXLBJUXYKDWFIV-RUZDIDTESA-N	1	1	361.529	4.980	10	30		FJEEMO
C=CCNC(=O)[C@@H]1CC[C@H](c2ccc(CC)cc2)[N@H+](Cc2ccccc2)C1	ZINC000034711533	210169335	/nfs/dbraw/zinc/16/93/35/210169335.db2.gz	HNALNIBZMMCPBV-DHIUTWEWSA-N	1	1	362.517	4.505	10	30		FJEEMO
C[N@H+](CN1c2ccccc2/C(=N/c2ccc(F)cc2)C1=O)C1CCCCC1	ZINC000105425054	222369014	/nfs/dbraw/zinc/36/90/14/222369014.db2.gz	GCGCKDJXFKIPQK-FLFQWRMESA-N	1	1	365.452	4.515	10	30		FJEEMO
C[N@@H+](CN1c2ccccc2/C(=N/c2ccc(F)cc2)C1=O)C1CCCCC1	ZINC000105425054	222369019	/nfs/dbraw/zinc/36/90/19/222369019.db2.gz	GCGCKDJXFKIPQK-FLFQWRMESA-N	1	1	365.452	4.515	10	30		FJEEMO
CCC(=O)Oc1ccc2c(c1)N(CC)/C(=C\C=[NH+]\c1ccccc1)N2CC	ZINC000005261126	570623112	/nfs/dbraw/zinc/62/31/12/570623112.db2.gz	YTBSSGIOPNHJAP-IZMQQWDGSA-N	1	1	363.461	4.912	10	30		FJEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCOC)Cc2ccccc2C)o1	ZINC000036203149	571245015	/nfs/dbraw/zinc/24/50/15/571245015.db2.gz	VJJZWSMDAUIYIX-UHFFFAOYSA-N	1	1	369.505	4.576	10	30		FJEEMO
C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1	ZINC000069037146	221320907	/nfs/dbraw/zinc/32/09/07/221320907.db2.gz	HBMAXBPKYMUNIQ-VXGBXAGGSA-N	1	1	362.260	4.543	10	30		FJEEMO
C=CCNC(=O)[C@@H]1CC[C@@H](c2ccc(CC)cc2)[N@H+](Cc2ccccc2)C1	ZINC000034711532	570532518	/nfs/dbraw/zinc/53/25/18/570532518.db2.gz	HNALNIBZMMCPBV-PKTZIBPZSA-N	1	1	362.517	4.505	10	30		FJEEMO
C=C/C=C(\C=C/C)C1(C/[NH+]=C\c2ccc(OCC)c(OC)c2)CCOCC1	ZINC000026808275	518655912	/nfs/dbraw/zinc/65/59/12/518655912.db2.gz	BIMHMGXMFAABIU-VIROTWQPSA-N	1	1	369.505	4.998	10	30		FJEEMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCOC)Cc2ccc(C)cc2)o1	ZINC000036157178	571243848	/nfs/dbraw/zinc/24/38/48/571243848.db2.gz	ALUQSIJPJLXROE-UHFFFAOYSA-N	1	1	369.505	4.576	10	30		FJEEMO
C=CCNC(=O)[C@H]1CC[C@@H](c2ccc(CC)cc2)[N@H+](Cc2ccccc2)C1	ZINC000034711530	220760192	/nfs/dbraw/zinc/76/01/92/220760192.db2.gz	HNALNIBZMMCPBV-GOTSBHOMSA-N	1	1	362.517	4.505	10	30		FJEEMO
C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1	ZINC000034739920	570550498	/nfs/dbraw/zinc/55/04/98/570550498.db2.gz	RCIVQIMQNVDILX-CTNGQTDRSA-N	1	1	368.908	4.596	10	30		FJEEMO
C=CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1	ZINC000034739918	570550706	/nfs/dbraw/zinc/55/07/06/570550706.db2.gz	RCIVQIMQNVDILX-TZIWHRDSSA-N	1	1	368.908	4.596	10	30		FJEEMO
C=C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH+](Cc1cccs1)Cc1cccs1	ZINC000020462749	120046841	/nfs/dbraw/zinc/04/68/41/120046841.db2.gz	GBYPPGKXLXIXJL-OKZBNKHCSA-N	1	1	358.576	4.708	10	30		FJEEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1	ZINC000069037143	221320943	/nfs/dbraw/zinc/32/09/43/221320943.db2.gz	HBMAXBPKYMUNIQ-NWDGAFQWSA-N	1	1	362.260	4.543	10	30		FJEEMO
CCCCCCC[N@@H+](CC)CCCCc1ccc(NS(C)(=O)=O)cc1	ZINC000043845622	208309364	/nfs/dbraw/zinc/30/93/64/208309364.db2.gz	DOAVYLWNNKCAPE-UHFFFAOYSA-N	1	1	368.587	4.673	10	30		FJEEMO
C=CC[N@@H+](Cc1ccc(C)s1)Cc1ccc2cc(NC(C)=O)ccc2n1	ZINC000055359214	518779224	/nfs/dbraw/zinc/77/92/24/518779224.db2.gz	NTEBVGJQPSHRSD-UHFFFAOYSA-N	1	1	365.502	4.751	10	30		FJEEMO
CCC1([C@](O)(C#CC[N@@H+](C)Cc2ccccc2)c2ccccc2)CCCC1	ZINC000096194494	571334857	/nfs/dbraw/zinc/33/48/57/571334857.db2.gz	XXLBJUXYKDWFIV-VWLOTQADSA-N	1	1	361.529	4.980	10	30		FJEEMO